Spreadsheet: 0d9a939a-c32a-485e-8662-098fa3110028
Sheet: Sheet1

Unnamed: 0 | Title of Probe Report (Click to Download) | Specific Aim of Probe Project | Grant # | # [NAME] | ML# | PubChem Substance ID (SID): | PubChem Compound ID (CID): | Pub Chem Summary Assay ID (AID): | Probe Chemical Name (IUPAC) | Target | IC50/EC50 (nM) | Antitarget | Fold selectivity | Date Submitted | Screening Center | Chemistry Center | Screening Center PI | Chemistry Center PI | Assay Provider | PubMed Publication IDs | MLphase
169 | Discovery and development of a second highly selective M1 Positive Allosteric Modulator (PAM). | To identify small molecule positive allosteric modulators (PAMs) [NAME] agonists of the M1 muscarinic acetylcholine receptor that are cell permeable, possess submicromolar potency and show greater than 10-fold selectivity over the other mAChRs (M2-M5) employing a functional HTS approach. | MH077606-01 | 1 | ML169 | 85756541 | 44475955 | 2543 | 2-((1-(5-bromo-2-fluorobenzyl)-1H-indol-3-yl)sulfonyl)- N-(5-methylisoxazol-3-yl)acetamide | M1 | 1380 | M2, M3, M4, M5 | >30 | 2010-03-31 00:00:00 | [NAME] for GPCRs, Ion Channels and Transporters | Vanderbilt Specialized Chemistry Center for Accelerated Probe Development | [NAME] | [NAME] | [NAME], Vanderbilt University |  | Y2
168 | Identification of compounds which inhibit cytotoxicity associated with the mutant Huntingtin protein expression | This compound is able to protect cells from cytotoxicity induced by the expression of a large mutant poly-Q expansion [NAME] (HTT) protein by inhibiting the activation of the intrinsic apoptotic pathway. This probe can be used in cellular assays and ex vivo experiments to study and inhibit the initiation of apoptosis induced by the expression of mutant, cytotoxic HTT protein. This probe will be of great interest to the scientific community that studies [NAME]’s disease and other neurodegenerative diseases. | MH084839-01A1 | 1 | [NAME] | 89650053 | 2432214 | 1482 | 4-(1-methyltetrazol-5-yl)sulfanyl-5-phenylthieno[2,3-d]pyrimidine | Q103HTT induced cytotoxicity | 7940 | Q25HTT induced cytotoxicity | >10 | 2010-03-30 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | NIH Chemical Genomics Center, Dr. [NAME] |  | Y2
167 | Highly specific inhibitors of Clk-4 | The Cdc2-like kinases (Clk’s) and the dual-specificity tyrosine phosphorylation-regulated kinases ([NAME]) are two classes of enzymes that have been shown to phosphorylate specific proteins within the spliceosome; therefore, they are considered important targets for the modulation of gene splicing events. In addition to the agents reported in these reports, there is only one other reported Clk4 inhibitor, which was found to be somewhat promiscuous versus a kinase panel. Small molecule inhibitors of all 4 isoforms of the [NAME] family and both the Dyrk1A and [NAME] family, with varying selectivity profiles, will be of great utility to the study of these kinases as modulators of gene splicing, as well as other cellular events. The probe described here represents the first fully selective inhibitor of Cdc2-like kinase 4 (Clk4). This probe compound will be useful for the scientific community in unraveling the phenotype associated solely with Clk4 down-regulation without complication arising from the inhibition of related kinases. Particularly, given the reported role of the [NAME] family as a specific modulator of SR proteins, this probe will be useful in exploring the specific functions of Clk4 in terms of gene splicing. | MH084827-01 | 1 | ML167 | 90944997 | 44968231 | 1997 | [5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-yl] methanol | Cdc2- like kinase 4 (Clk4) | 136 | [NAME], Clk2, Clk3, Dyrk1A/1 B | >10 | 2010-03-29 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | Dr. [NAME], NCI, NIH | 19837585 | Y2
166 | Inhibitors of Platelet Integrin AlphallbBeta3 | The AlphallbBeta3 receptor plays a vital role in both hemostasis and thrombosis, with deficiency of the receptor leading to Glanzmann thrombasthenia, and uncontrolled activation of the receptor producing thrombosis and blood vessel occlusion in animal models and humans.1-3 Current inhibitors of this key integrin receptor include a monoclonal antibody fragment and several RGD peptide mimetics.4,5 Use of these agents can be problematic, as they engage the Beta3 subunit MIDAS metal ion and are capable of priming the receptor into an artificial activation conformation. This probe does not bind to the Beta3 subunit MIDAS metal ion as judged by molecular dynamic simulation, and will be useful for studying selective inhibition of the AlphallbBeta3 receptor. | MH083257-01 | 1 | ML165 | 89449681 | 44820665 | 2663 | 2-amino-N-[3-(5-oxo-7-piperazin-1-yl-[1,3,4]thiadiazolo[3, 2-a]pyrimidin-2-yl)phenyl]acetamide | AlphallbBeta3 receptor | 1100 | alphaVbeta3 receptor | >100 | 2010-03-27 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], Rockefeller University |  | Y2
165 | Identification of a small molecule that selectively activates alpha-synuclein translational expression | Alpha-synuclein translation is governed, at least in part, by an iron-responsive element (IRE) in the 5’ untranslated region (5’-UTR) stem-loop of alpha-synuclein mRNA. Iron-responsive elements (IREs) are RNA stem loops in the UTRs of ferritin and transferring-receptor mRNAs that are critical to iron homeostasis (5, 6). However, the protein binding profile of the alphasynuclein IRE is different from the canonical IREs of iron homeostasis. These findings reflect the sensitivity of this RNA sequence as a probe target. The IRE of alpha-synuclein is known to interact with iron regulatory protein-1 (IRP-1), which causes an increase in alpha-synuclein translation. There are currently no small molecules which activate the expression of alphasynuclein by this mechanism (see Section 4.1, Table 2). | NS059434-01 | 1 | ML163 | 87218802 | 1090779 | 1829 | N-naphthalen-1-yl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine | alpha-synuclein 5’-UTR | 2000 | Prion 5’-UTR (H4-PRP) | >100 | 2010-03-26 00:00:00 | Broad Institute Probe Development Center | Broad Institute Probe Development Center | [NAME] | [NAME] | [NAME], PhD. Massachusetts General Hospital |  | Y2
164 | Screen for RAS-Selective Lethal Compounds and VDAC Ligands | Compounds that selectively kill cells expressing oncogenic RAS have the potential to eliminate tumor cells harboring specific oncogenic mutations while having minimal effects on normal cells lacking these mutations. This mode of action is known as synthetic lethality. Such synthetically lethal compounds can be used to elucidate the pathways that are involved in the oncogenesis of the mutant RAS gene whether directly in RAS-related pathways or in other pathways, such as metabolic function, that may be modulated by the activity of an oncogenic allele. | MH084117-01 | 1 | ML162 | 87692475 | 3689413 | 1674 | 2-(3-chloro-N-(2-chloroacetyl)-4-methoxyanilino)-N-phenethyl-2-thiophen- 2-ylacetamide | BJeLR (HRASV12) | 25 | BJeH-LT (w/o HRASV12) | 23 | 2010-03-26 00:00:00 | Broad Institute Probe Development Center | Broad Institute Probe Development Center | [NAME] | [NAME] | [NAME], Howard Hughes Medical Institute, Columbia University |  | Y2
163 | Chemical Genetic Analysis of Platelet Granule Secretion-Probe 3 | Platelet activation occurs in response to vascular injury, which triggers an array of cascading signaling events that potentiate the formation of thrombi to control bleeding. One downstream effect of activation is the secretion of granules, which plays a role in the formation of thrombi. Platelet activation inhibitors that target various surface receptors and cytosolic pathways within platelets are well validated for inhibiting thrombosis, clinically preventing adverse cardiovascular events such as intermittent claudication and stroke, and reducing mortality and morbidity in acute myocardial infarction. These inhibitors have provided a greater understanding of the mechanisms of platelet biology. Some inhibitors are currently in use in the clinical setting or in development for the treatment of thrombotic conditions. Unfortunately, many of the characterized platelet inhibitors can cause undesired side effects in patients. None of the characterized inhibitors are known to target the granule secretion machinery. | DA026209-01 | 1 | ML161 | 87457110 | 1048267 | 1678 | 2-bromo-N-[3-(butanoylamino)phenyl]benzamide | [NAME] secretion | 11200 | Luciferase | 10 | 2010-03-25 00:00:00 | Broad Institute Probe Development Center | Broad Institute Probe Development Center | [NAME] | [NAME] | [NAME], Beth Israel Deaconess Medical Center, Boston, MA |  | Y2
162 | Chemical Genetic Analysis of Platelet Granule Secretion-Probe 2 | Platelet activation occurs in response to vascular injury, which triggers an array of cascading signaling events that potentiate the formation of thrombi to control bleeding. One downstream effect of activation is the secretion of granules, which plays a role in the formation of thrombi. Platelet activation inhibitors that target various surface receptors and cytosolic pathways within platelets are well validated for inhibiting thrombosis, clinically preventing adverse cardiovascular events such as intermittent claudication and stroke, and reducing mortality and morbidity in acute myocardial infarction. These inhibitors have provided a greater understanding of the mechanisms of platelet biology. Some inhibitors are currently in use in the clinical setting or in development for the treatment of thrombotic conditions. Unfortunately, many of the characterized platelet inhibitors can cause undesired side effects in patients. None of the characterized inhibitors are known to target the granule secretion machinery. | DA026209-01 | 1 | ML160 | 87556782 | 824820 | 1678 | 2-amino-1-(4-methylphenyl)-6-oxo-4-phenylpyridine-3,5-dicarbonitrile | [NAME] secretion | 361 | Luciferase | 310 | 2010-03-25 00:00:00 | Broad Institute Probe Development Center | Broad Institute Probe Development Center | [NAME] | [NAME] | [NAME], Beth Israel Deaconess Medical Center, Boston, MA |  | Y2
161 | Chemical Genetic Analysis of Platelet Granule Secretion-Probe 1 | Platelet activation occurs in response to vascular injury, which triggers an array of cascading signaling events that potentiate the formation of thrombi to control bleeding. One downstream effect of activation is the secretion of granules, which plays a role in the formation of thrombi. Platelet activation inhibitors that target various surface receptors and cytosolic pathways within platelets are well validated for inhibiting thrombosis, clinically preventing adverse cardiovascular events such as intermittent claudication and stroke, and reducing mortality and morbidity in acute myocardial infarction. These inhibitors have provided a greater understanding of the mechanisms of platelet biology. Some inhibitors are currently in use in the clinical setting or in development for the treatment of thrombotic conditions. Unfortunately, many of the characterized platelet inhibitors can cause undesired side effects in patients. None of the characterized inhibitors are known to target the granule secretion machinery. | DA026209-01 | 1 | ML159 | 87235625 91148452 | 26871482 | 1678 | N-[(E)-1-[4-[(2,2, 2-trifluoroacetyl)amino]phenyl]ethylideneamino]cyclopentanecarboxamide | [NAME] secretion | 12262 | Luciferase | 9 | 2010-03-25 00:00:00 | Broad Institute Probe Development Center | Broad Institute Probe Development Center | [NAME] | [NAME] | [NAME], Beth Israel Deaconess Medical Center, Boston, MA |  | Y2
160 | Identification of Small-Molecule Inhibitors of Trypansoma cruzi Infection-Probe 1 | Chagas disease is a tropical parasitic disease caused by the parasite Trypanosoma cruzi (T cruzi). Approximately 13 million people are infected with the parasite, which is endemic to Central and South America and results in 14,000 deaths per year (2, 3). Twenty-five to thirty percent of infected patients suffer from irreversible damage to the heart and digestive tract resulting in a high incidence of disability and death within 20 years of infection (1, 2). Chagas disease is the leading cause of heart failure in the region. Currently adminstered drug therapies are only active in the acute phase of infection and have unacceptable side effects. There is a clear need for more potent and selective therapies. | MH085673-01 | 1 | ML164 | 87219052 | 6875690 | 1885 | N-(3, 4-dimethylphenyl)-N'-[(E)-(5-nitrofuran-2-yl)methylideneamino] butanediamide | Trypansoma Cruzi replication | 34 | NIH3T3 Cell Toxicity |  | 2010-03-26 00:00:00 | Broad Institute Probe Development Center | Broad Institute Probe Development Center | [NAME] | [NAME] | Ana Rodriguez, New York University |  | Y2
159 | Identification of Small-Molecule Inhibitors of Trypansoma cruzi Infection-Probe 3 | Chagas disease is a tropical parasitic disease caused by the parasite Trypanosoma cruzi (T cruzi). Approximately 13 million people are infected with the parasite, which is endemic to Central and South America and results in 14,000 deaths per year (2, 3). Twenty-five to thirty percent of infected patients suffer from irreversible damage to the heart and digestive tract resulting in a high incidence of disability and death within 20 years of infection (1, 2). Chagas disease is the leading cause of heart failure in the region. Currently adminstered drug therapies are only active in the acute phase of infection and have unacceptable side effects. There is a clear need for more potent and selective therapies. | MH085673-01 | 1 | ML158 | 87219048 | 3238551 | 1885 | N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3, 4-dimethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide | Trypansoma Cruzi replication | 109 | NIH3T3 Cell Toxicity |  | 2010-03-25 00:00:00 | Broad Institute Probe Development Center | Broad Institute Probe Development Center | [NAME] | [NAME] | Ana Rodriguez, New York University |  | Y2
158 | Identification of Small-Molecule Inhibitors of Trypansoma cruzi Infection-Probe 2 | Chagas disease is a tropical parasitic disease caused by the parasite Trypanosoma cruzi (T cruzi). Approximately 13 million people are infected with the parasite, which is endemic to Central and South America and results in 14,000 deaths per year (2, 3). Twenty-five to thirty percent of infected patients suffer from irreversible damage to the heart and digestive tract resulting in a high incidence of disability and death within 20 years of infection (1, 2). Chagas disease is the leading cause of heart failure in the region. Currently adminstered drug therapies are only active in the acute phase of infection and have unacceptable side effects. There is a clear need for more potent and selective therapies. | MH085673-01 | 1 | [NAME] | 87219036 | 16190867 | 1885 | [1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-(3-propan-2- yloxyphenyl)methanone | Trypansoma Cruzi replication | 35 | NIH3T3 Cell Toxicity |  | 2010-03-25 00:00:00 | Broad Institute Probe Development Center | Broad Institute Probe Development Center | [NAME] | [NAME] | Ana Rodriguez, New York University |  | Y2
157 | Identification of Modulators of the N370S Mutant Form of Glucocerebrosidase as a Potential Therapy for Gaucher Disease (chemotype 2) | Known glycosidase chaperone molecules belong to the aminosugar class. Because iminosugar inhibitors work by mimicking the transition state of the glycosidic cleavage, they tend to be poorly selective. This has hampered their advance in clinical development. Alternative scaffolds with chaperone activity are quite desirable. Here, we present a new non-aminosugar series of glucocerebrosidase inhibitors having chaperone capacity. The probe is able to inhibit the hydrolytic activity of the N370S mutant form of glucocerebrosidase. Most importantly, the probe increased glucocerebrosidase translocation to the lysosome in Gaucher patient-derived fibroblasts homozygous for the N370S mutation, and can be used to study ER-lysosomal trafficking of clinically relevant GC mutants in vitro. This probe may be a useful lead for the preclinical development of a chemical chaperone of glucocerebrosidase. | MH086442-01 | 1 | [NAME] | 89449177 | 9893924 | 2593 | 1-[3-[(5-bromopyridin-2-yl)-[(3, 4-dichlorophenyl)methyl]amino]propyl]-3-[3-(1H-imidazol-5-yl)propyl] thiourea | N370S Glucocerebrosidase | 580 | Alphaglucosidase | >100 | 2010-03-24 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | NIH Human Genome Research Institute, Dr. [NAME] |  | Y2
156 | Identification of Modulators of the N370S Mutant Form of Glucocerebrosidase as a Potential Therapy for Gaucher Disease (chemotype 1) | The probe is able to inhibit the hydrolytic activity of the N370S mutant form of glucocerebrosidase, as well as wild type glucocerebrosidase, in tissue homogenate assays. The probe does not inhibit purified glucocerebrosidase, but the cellular activity of the enzyme is known to be dependent on interactions with other factors, such as Saposin C. Importantly, the probe increased glucocerebrosidase translocation to the lysosome in Gaucher patient-derived fibroblasts homozygous for the N370S mutation, and can be used to study ER-lysosomal trafficking of clinically relevant GC mutants in vitro. This probe may be a useful lead for the clinical development of a chemical chaperone of glucocerebrosidase. | MH086442-01 | 1 | ML155 | 85267237 | 40225210 | 2593 | 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-thiophen-2-ylquinazoline | N370S Glucocerebrosidase | 330 | Alphaglucosidase | >100 | 2010-03-24 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | NIH Human Genome Research Institute, Dr. [NAME] |  | Y2
155 | Identification of Small Molecule Antagonists of the Neuropeptide-S Receptor | There is a clear need to discover novel small molecule antagonists of the Neuropeptide S Receptor (NPSR) to help probe NPS/NPSR pharmacology and to validate the importance of this neurocircuitry in animal models. [NAME], a compound disclosed by Takeda Pharmaceutical Company, shows only 50% efficacy in an in vivo hyperlocomotion mouse model. An additional chemotype disclosed by Merck shows ex vivo receptor occupancy in discrete regions of the rat brain after intraperitoneal (IP) dosing. However, no small molecule has yet demonstrated robust in vivo efficacy in multiple animal models. | DA026210-01 | 1 | ML154 | 87796314 | 46930969 | 1464 | 1-Cinnamyl-3-(diphenylphosphorothioyl)-2- methylimidazo[1,2-a]pyridin-1-ium bromide | NPSR | 1 | V1B [NAME] Receptor | > 100 | 2010-03-19 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], National Institute on Alcohol Abuse and Alcoholism |  | Y2
154 | Identification of SMN modulators for potential SMA disease therapeutics | We are particularly interested in identifying small molecules that can increase the level of full length SMN protein for therapeutic intervention. This can be achieved by [NAME], increasing the level of transcript produced, or stabilizing the SMN protein. In order to achieve this goal, we performed a high-throughput screen in a cell-based reported assay of SMN2 expression, for the purposes of discovering novel compound classes with novel mechanisms. We previously disclosed two compounds, CID 6404603 (1) and CID 990823 (2), which might be useful in this regard. The present report updates work on this second series and reports on an improved probe molecule. | MH084179-01 | 1 | ML200 | 99367992 | 46907676 | 1474 | 1-[5-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide | SMN2 Protein expression | 31 | [NAME] protein expression | 31 | 2010-03-19 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], University of Massachusetts Medical School |  | Y2
153 | Toward Improved Therapy for Classic Galactosemia | Classic Galactosemia is a potentially lethal disease caused by deficient galactose-1-phosphate uridyltransferase (GALT) that results in the buildup of galactose-1-phosphate (gal-1-P) in the blood. Galactokinase (GALK) is the enzyme responsible for converting galactose into gal-1-p. A pharmacological inhibitor of GALK is therefore sought for a potential therapy for galactosemia by reducing levels of gal-1-P. The probe developed herein inhibits GALK with a potency of 1.0uM in a luminescence based biochemical assay and should be useful for studying the role of GALK modulation in the progression of Classic Galactosemia. | MH085689-01 | 1 | ML152 | 87550830 | 664331 | 2114 | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4, 1'-cyclopentane]-5-one | GALK | 1000 | CDP-Me | >10 | 2010-03-18 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], University of Utah School of Medicine |  | Y2
152 | qHTS for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2 | Thyroid receptor (TR) regulates many homeostatic processes including basal metabolism, cardiovascular function, body weight, and lipid trafficking. TR modulators are potential therapeutics for obesity and hyperlipidemias, but current thyroid analogs have undesirable side effects, particularly cardiac stimulation. This probe is a member of a series that inhibits the interaction between the ligand-occupied TR and its coactivator, steroid receptor coregulator 2 (SRC2). This series can be used in vitro to study the mechanisms by which coactivators induce nuclear hormone receptor (NHR) activity in general, and how SRC2 activates TR in particular. Because SRC2 interacts with a number of different NHRs, including the androgen receptor (AR) and glucocorticoid receptor, TR selective inhibitors can help elucidate how SRC2 discriminates among different NHRs. | DK058080 | 1 | [NAME] | 87550851 | 5184800 | 2512 | [2-(1-adamantylamino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate | TR-SRC2 | 1400 | AR-SRC2; VDR-SRC2; PPARg- DRIP | > 92; 38; > 92 | 2010-03-18 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | Dr. [NAME], St. Jude Children’s Research Hospital |  | Y2
151 | Identification of a small molecule that selectively inhibits alpha-synuclein translational expression | [NAME] is an approximately 15 KDa protein implicated in the pathogenesis of neurodegenerative alpha-synucleinopathies (1), including Parkinson's disease (PD), the most prevalent movement disorder in humans. In these disorders, alpha-synuclein undergoes a conformational change and subsequent oligomerization, which causes a toxic gain of function, neurodegeneration, and deposition of alpha-synuclein aggregates in the form of Lewy bodies. Increased alpha-synuclein levels caused by gene duplication causes familial PD (2) and GATA transcription factors (3) directly regulate the PD-linked alpha-synuclein gene. In this regard, regulation of alpha-synuclein translation is physiologically relevant to Lewy body dementia brains, which exhibit lowered alpha-synuclein mRNA but higher insoluble protein. This, suggests misregulation of alpha-synuclein translation in addition to protein clearance by chaperones (3, 4). Consequently, our therapeutic strategy is to limit alpha-synuclein translation. | NS059434-01 | 1 | ML150 | 87218804 | 1517919 | 1827 | 2-N,2-N-dimethyl-6-[(1-naphthalen-1-yltetrazol-5-yl)sulfanylmethyl]-1,3, 5-triazine-2,4-diamine | alpha-synuclein 5'-UTR | 1800 | Prion 5'-UTR |  | 2010-03-09 00:00:00 | Broad Institute Probe Development Center | Broad Institute Probe Development Center | [NAME] | [NAME] | [NAME], PhD. Massachusetts General Hospital |  | Y2
150 | Potent and selective inhibitors of NAD+-dependent 15-hydroxyprostaglandindehydrogenase (HPGD) | Inhibition of 15-HPGD has been implicated as a viable target for the treatment of a variety of disorders, including dermal wound healing, bone formation and hair loss. In contrast, downregulation of HPGD has been linked to increase incidence of several cancers, implying the potential value of HPGD activators in the treatment of cancer. [NAME], ML148, [NAME] represent an important advancement to enable research focused on the elucidation of these various processes. They will serve as useful tools for exploration of biological function and intracellular interactions of 15-PGDH. | 5U54MH084681 (U54 CDP) | 3 | ML149 | 87550716 99343743 | 2331284 | 2407 | 3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-6,7,8,9-tetrahydro-5H-[1,2, 4]triazolo[4,3-a]azepine | HPGD | 89 | [NAME]; HSD17beta | >1000 | 2010-03-04 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | Udo Oppermann, Structural Genomics Consortium, University of Oxford | 21072165 | Y2
149 |  |  |  |  | ML148 | 87550718 99343745 | 3243760 |  | [1-(3-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone | HPGD | 56 | [NAME]; HSD17beta | >1000 | 2010-03-04 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] |  |  | Y2
148 |  |  |  |  | ML147 | 87550717 99343744 | 3245059 |  | 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]benzonitrile | HPGD | 141 | ALDH1A | >2000 | 2010-03-04 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] |  |  | Y2
147 | High Throughput Screening Assays for NOD1 Inhibitors (probe 2) | The main objective of this study was to identify small molecule inhibitors of NF-kappaB activity induced by NOD1. | MH084844-01 | 1 | ML146 | 87225488 | 5310346 | 1575 | 7-[(E)-but-2-enyl]-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione | NOD1 | 1536 | NOD2, TNFalpha | >8 | 2010-02-28 00:00:00 | Burnham Center for Chemical Genomics | Burnham Center for Chemical Genomics | [NAME] | [NAME] | Dr [NAME] for Medical Research |  | Y2
146 | Antagonists for the Orphan Receptor GPR35 | The goal of the HTS was to identify novel and specific inhibitors of GPR35. To date, no antagonists for GPR35 are known and the goal of this project was to identify small molecules that had an IC50 of 5 uM or less in the primary GPR35 beta-arrestin HCS assay, with at least 10-fold antagonist selectivity against the related receptor [NAME]. | MH085708-01 | 2 | ML145 | 87544499 | 2286812 | 2079 | 2-hydroxy-4-[4-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2- sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid | GPR35 | 20.1 | [NAME] | 1150 | 2010-02-28 00:00:00 | Burnham Center for Chemical Genomics | Burnham Center for Chemical Genomics | [NAME] | [NAME] | [NAME], Duke University Medical Center |  | Y2
145 |  |  |  |  | ML144 | 87544496 | 1542103 |  | 1-[(4-chlorophenyl)methyl]-4-[4-(2-methylphenyl)piperazin-1-yl]pyrazolo [3,4-d]pyrimidine | GPR35 | 2220 | [NAME] | >15 | 2010-02-28 00:00:00 | Burnham Center for Chemical Genomics | Burnham Center for Chemical Genomics | [NAME] | [NAME]
144 | A Cell Based Assay for the Identification of Lead Compounds with Anti-Viral Activity Against West Nile Virus | This assay seeks to identify chemical probes that inhibit West Nile Virus (WNV) without adversely affecting the host cell. | MH084847-01 | 2 | ML143 | 85248337 | 2557019 | 1635 | N-(2, 3-dihydro-1H-inden-5-yl)-2-(4-oxo-3-phenylquinazolin-2-yl) sulfanylacetamide | Virus induced CPE | 15460 | Cytotoxicity | >6.5 | 2010-02-27 00:00:00 | Southern Research Specialized Biocontainment Screening Center | Burnham Center for Chemical Genomics | [NAME] | [NAME] | [NAME], Southern Research Institute |  | Y2
143 |  |  |  |  | ML142 | 87219062 | 928277 |  | 7-bromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline | Virus induced CPE | 16800 | Cytotoxicity | >11.7 | 2010-02-27 00:00:00 | Southern Research Specialized Biocontainment Screening Center | Burnham Center for Chemical Genomics | [NAME] | [NAME] | [NAME], Southern Research Institute
142 | A Potent and Selective Inhibitor of Cdc42 GTPase | The project goal was to identify selective inhibitory probes for modulating the GTP-binding and activity of representative members of Rho, [NAME] and Rab GTPase families with > 10-fold inhibitory selectivity and specific emphasis on Cdc42 vs Rac1. | MH081231-01 | 1 | ML141 | 57578341 | 2950007 | 1772 | 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide | [NAME] | 2600 | glutathione S-transferase | >50 | 2010-02-27 00:00:00 | New Mexico Molecular Libraries Screening Center | Kansas Specialized Chemistry Center | [NAME] | [NAME] | [NAME], UNM |  | Y2
141 | Selective KOP Receptor antagonists | The specific aim of this project is to identify subtype specific small molecule antagonists of the human kappa opioid receptor (KOR). Such antagonists have been shown to prevent reinstatement of drug taking behavior. KOR selective antagonists will enable delineation of KOR specific signaling. Subtype selectivity is defined as selective for KOR but not active against mu (MOR) or delta (DOR) subtypes. | DA026208-01 | 1 | ML140 | 87218794 | 3342390 | 1785 | N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methylphenyl)sulfonylamino] methyl]benzamide | KOR | 850 | MOR, DOR | >40 | 2010-02-27 00:00:00 | Burnham Center for Chemical Genomics | Kansas Specialized Chemistry Center | [NAME] | [NAME] | [NAME], Duke University Medical Center |  | Y2
140 | Selective KOP Receptor agonists | The specific aims of this project are to identify subtype specific small molecule agonists of the human kappa opioid (KOP) receptor. Such agonists have been shown to block cocaine self-administration. Subtype selectivity is defined as selective for KOR but not active against mu (MOR) or delta (DOR) subtypes. | DA026208-01 | 2 | ML139 | 87218782 | 5236771 | 1786 | N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(thiophen-2-ylmethyl)pyridine-2- carboxamide | KOR | 120 | MOR, DOR | >270 | 2010-02-27 00:00:00 | Burnham Center for Chemical Genomics | Kansas Specialized Chemistry Center | [NAME] | [NAME] | [NAME], Duke University Medical Center |  | Y2
139 |  |  |  |  | [NAME] | 87334039 | 44601470 |  | 2-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2, 4-triazol-3-yl]pyridine | KOR | 870 | MOR, DOR | >37 | 2010-02-27 00:00:00 | Burnham Center for Chemical Genomics | Kansas Specialized Chemistry Center | [NAME] | [NAME]
138 | Discovery and development of the a highly selective M1 Positive Allosteric Modulator (PAM) | To identify small molecule positive allosteric modulators (PAMs) [NAME] agonists of the M1 muscarinic acetylcholine receptor that are cell permeable, possess submicromolar potency and show greater than 10-fold selectivity over the other mAChRs (M2-M5) employing a functional HTS approach. | MH077606-01 | 1 | ML137 | 8528605 | 44251556 | 2543 | 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-2,3-dione | M1 | 830 | M2, M3, M4, M5 | >30 | 2010-02-26 00:00:00 | [NAME] for GPCRs, Ion Channels and Transporters | Vanderbilt Specialized Chemistry Center for Accelerated Probe Development | [NAME] | [NAME] | [NAME], Vanderbilt University | 20156687 | Y2
137 | Probe Report for PME-1 Inhibitors | The goal of the campaign was to discover compounds with inhibitory activity against [NAME] that are selective among the serine hydrolases in mouse tissue and human cell line proteomes as assessed by gel-based ABPP. | CA132630-01 | 1 | ML136 | 87457340 | 44607965 | 2143 | (E)-2-(4- fluorophenylsulfonyl)-3-(1-(3- nitrophenylsulfonyl)-1Hpyrrol- 2-yl)acrylonitrile | PME-1 | 500 | >30 serine hydrolases | >100 | 2010-02-26 00:00:00 | The Scripps Research Institute Molecular Libraries Screening Center | The Scripps Research Institute Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], TSRI |  | Y2
136 | Identification of small molecules that selectively inhibit streptokinase expression without suppression of viability in Group A streptococci (chemotype 3) | The goal of the project is to identify and develop novel small molecule probes that inhibit streptokinase (SK) expression in group A streptococcus (GAS). SK is a major GAS virulence factor that activates human plasminogen. Novel antimicrobial agents that suppress pathogen virulence without selecting for drug resistant mutants provide a promising alternative approach for treatment of infectious diseases. Based on the critical role of SK in GAS pathogenicity, we are attempting to identify chemical compounds that specifically reduce the expression of bacterial SK, without affecting bacterial viability. | DA026214-01 | 1 | ML135 | 85281146 | 2769229 | 1677 | 2-chloro-N-[3-cyano-4-(4- methoxyphenyl)sulfanylphenyl]benzamide | SK expression | 2500 | Bacterial cell viability | inactive | 2010-02-26 00:00:00 | Broad Institute Probe Development Center | Broad Institute Probe Development Center | [NAME] | [NAME] | [NAME], PhD. University of Missouri, Columbia |  | Y2
135 | Identification of small molecules that selectively inhibit streptokinase expression without suppression of viability in Group A streptococci (chemotype 2) | The goal of the project is to identify and develop novel small molecule probes that inhibit streptokinase (SK) expression in group A streptococcus (GAS). SK is a major GAS virulence factor that activates human plasminogen. Novel antimicrobial agents that suppress pathogen virulence without selecting for drug resistant mutants provide a promising alternative approach for treatment of infectious diseases. Based on the critical role of SK in GAS pathogenicity, we are attempting to identify chemical compounds that specifically reduce the expression of bacterial SK, without affecting bacterial viability. | DA026214-01 | 1 | ML134 | 85281155 | 1612038 | 1677 | 4-methoxy-2-(4- propoxyphenyl)quinazoline | SK expression | 5200 | Bacterial cell viability | inactive | 2010-02-26 00:00:00 | Broad Institute Probe Development Center | Broad Institute Probe Development Center | [NAME] | [NAME] | [NAME], PhD. University of Missouri, Columbia |  | Y2
134 | A potent and selective small molecule Kir2.1 inhibitor | The overall goal of the project is to discover inhibitors of Kir2.1 channel with IC50 < 1 uM and selectivity versus other ion channels to provide the first Kir2.1 small molecule in vitro probe. In addition, potentiators of Kir2.1 are also desired, but it is not a goal for assay optimization. Based on our experience, we expect to identify diverse K+ channel modulators with novel mechanisms of action. Identified compounds will serve both for basic study of K+ channel physiology and as a basis for development of clinical K+ channel drugs. | DA026212-01 | 1 | ML133 | 87457855 85281105 | 44247466 | 1843 | N-[(4-methoxyphenyl)methyl]-1-naphthalen -1-ylmethanamine | Kir2.1 | 284 | ROMK | 100 | 2010-02-26 00:00:00 | Johns Hopkins Ion Channel Center | Vanderbilt Specialized Chemistry Center for Accelerated Probe Development | [NAME] | [NAME] | [NAME], University of Pittsburgh |  | Y2
133 | A small molecule inhibitor of Caspase 1. | The overall goal is to screen for and/or design inhibitors of caspase 1 that are potent and selective over the 11 additional caspase isozymes. | MH078950-01 | 1 | [NAME] | 87544173 | 44620939 | 2389 | (S)-3-((S)-1-((S)-2-(4-amino-3- chlorobenzamido)-3,3-dimethylbutanoyl)pyrrolidine -2-carboxamido)-3-cyanopropanoic acid | Caspase 1 | 0.023 | 9 Caspase panel | >100 | 2010-02-25 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], University of California at San Francisco | 20229566 | Y2
132 | Selective Novel Chemical and Immunological Approaches to Influenza Therapy: S1P4 Antagonist | There are no reports of selective inhibitor S1P4 antagonists in the literature and S1P4 antagonist compounds are not available. With the exception of the PubChem AIDs for this project, no S1P4 antagonist HTS efforts have been reported to date. Exhaustive search of the published literature—including US and International Patent literature—as recently as 2/23/2010, has not identified any S1P4 antagonist compounds. | AI074564 | 1 | ML131 | 87357351 | 44607580 | 1853 | 5-(2,5-dichlorophenyl)-N-(2,6-diethylphenyl)furan-2-carboxamide | S1P4 | 89 | S1P1 | >275 | 2010-02-24 00:00:00 | The Scripps Research Institute Molecular Libraries Screening Center | The Scripps Research Institute Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], TSRI |  | Y2
131 | High Throughput Screening Assays for NOD1 Inhibitors (probe 1) | The main objective of this study was to identify small molecule inhibitors of NF-kappaB activity induced by NOD1. | MH084844-01 | 1 | ML130 | 85248360 | 1088438 | 1575 | 1-(4-methylphenyl)sulfonylbenzimidazol-2-amine | NOD1 | 747 | NOD2, TNFalpha | >39 | 2010-01-23 00:00:00 | Burnham Center for Chemical Genomics | Burnham Center for Chemical Genomics | [NAME] | [NAME] | Dr [NAME] for Medical Research |  | Y2
130 | Discovery of the first mAChR 5 (M5) selective ligand, an M5 Positive Allosteric Modulator (PAM) | To identify small molecule positive allosteric modulators (PAMs) [NAME] agonists of the M1 muscarinic acetylcholine receptor that are cell permeable, possess submicromolar potency and show greater than 10-fold selectivity over the other mAChRs (M1, [NAME], M3 and M4) employing a functional HTS approach. | MH077607-01 | 1 | ML129 | 85285486 | 42633508 | 2416 | 1-[(4-methoxyphenyl)methyl]-5-(trifluoromethoxy)indole-2,3-dione | [NAME] (M5) | 1100 | M1, [NAME], M3, M4 | >30 | 2009-12-18 00:00:00 | [NAME] for GPCRs, Ion Channels and Transporters | Vanderbilt Specialized Chemistry Center for Accelerated Probe Development | [NAME] | [NAME] | [NAME], Vanderbilt University | 19438238 | Y2
129 | Discovery of a potent, selective and in vivo active mGluR4 positive allosteric modulator | To identify small molecule positive allosteric modulators (PAMs) of mGluR4 and/or other group III mGluRs. Probe candidates will be highly selective versus the other seven mGluRs, and ideally be suitable for both in vitro and in vivo studies. | NS053536-01 | 1 | ML128 | 85240643 | 44191096 | 2437 | N-(4-chloro-3-methoxyphenyl)pyridine-2-carboxamide | mGluR4 | 240 (human), 110 (rat) | mGluRs 1, 2, 3, 5, 7, 8 | >50 | 2009-12-18 00:00:00 | [NAME] for GPCRs, Ion Channels and Transporters | Vanderbilt Specialized Chemistry Center for Accelerated Probe Development | [NAME] | [NAME] | [NAME], Vanderbilt University | 19469556 | Y2
128 | Selective Small Molecule Inhibitors of 12-human lipoxygenase (12hLO) | The overall goal is to screen against three lipoxygenase isozymes; reticulocyte 15hLO-1, epidermal 15hLO-2 and platelet 12hLO, with the aim of finding selective inhibitors specific for each isozyme. | MH081283-01A1 | 1 | ML127 | 85736374 | 44460175 | 2164 | N-[(5-bromo-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]acetamide | 12hLO | 1000 | 15hLO-1 | 100 | 2009-11-30 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | Holman, T.R., University of California, Santa Cruz |  | Y2
127 | Identification of small molecules that selectively inhibit streptokinase expression without suppression of viability in Group A streptococci (probe 1) | Streptokinase (SK) is a key virulence factor for Group A Streptococcus (GAS) infection through interacting with host plasminogen (2). This project aims to take advantage of this observation and discover novel antimicrobial agents for the treatment of GAS infection. | DA026214-01 | 1 | ML126 | 85281160 | 576989 | 1677 | carbazol-9-yl-(4-methylphenyl)methanone | Streptokinase expression | 3600 | Bacterial cell viability | 3.6 uM vs inactive | 2009-11-16 00:00:00 | Broad Institute Probe Development Center | Broad Institute Probe Development Center | [NAME] | [NAME] | [NAME], PhD. University of Missouri, Columbia |  | Y2
126 | Campaign to identify novel modulators of the Retinoic acid receptor-related Orphan Receptors (ROR). | Findings suggest repressors (inverse agonists) of RORa may be useful in treatment of metabolic disorders. The most prominent role for RORγ is regulation of immune function, especially in development of the Th17 cells that are believed to play an important role in autoimmunity. Thus, repressors (inverse agonists) of RORγ would be expected to block Th17 cell proliferation and IL-17 production. | MH084512-01 | 2 | ML125 | 85257301 | 447912 | 2139 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2,2, 2-trifluoroethyl)benzenesulfonamide | ROR-gamma | 1730 | VP16 | inactive at 10 uM | 2009-11-13 00:00:00 | The Scripps Research Institute Molecular Libraries Screening Center | The Scripps Research Institute Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], TSRI | 19887649 | Y2
125 |  |  |  |  | ML124 | 85257298 | 44237404 | 2139 | 4-tert-butyl-N-[4-(1,1,1,3,3, 3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide | ROR-alpha | 2470 | VP16 | inactive at 10 uM | 2009-11-13 00:00:00 | The Scripps Research Institute Molecular Libraries Screening Center | The Scripps Research Institute Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], TSRI | 19887649
124 | Campaign to Identify Agonists of the Transient Receptor Potential Channels 3 and 2 (TRPML3 and [NAME]) | TRPML3 (mucolipin 3; MCOLN3) is a TRP channel expressed in inner ear hair cells and stereocilia (1-3), suggesting it may play a role in hearing and mechanotransduction. The identification of probes for TRPML3 and [NAME] would be useful to investigate the function of TRPML3 in inner ear mechanotransduction and hearing biology, as well as elucidate pathways of intracellular transport of membrane proteins. | MH083077-01 | 2 | ML123 | 24801657 | 2911646 | 1809 | 4-chloro-N-(2-morpholin-4-ylcyclohexyl)benzenesulfonamide | TRPML3 | 873 | TRPN1 | 34 | 2009-11-13 00:00:00 | The Scripps Research Institute Molecular Libraries Screening Center | The Scripps Research Institute Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], Stanford University | 20189104 | Y2
123 |  |  |  |  | ML122 | 24787221 | 701237 | 1809 | 1-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylpiperazine | TRPML3 | 1430 | TRPN1 | 20 | 2009-11-13 00:00:00 | The Scripps Research Institute Molecular Libraries Screening Center | The Scripps Research Institute Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], Stanford University | 20189104
122 | HTS Assay for discovery of novel beta-lactamase (BLA) inhibitors via click chemistry | The metallo-beta-lactamases (MBL) are zinc-dependent class B betalactamases that hydrolyze the beta-lactam ring, rendering the antibiotic ineffective. Increasingly, nosocomial betalactam antibiotic resistance arises in P. aeruginosa, [NAME], and other pathogenic bacteria via gene transfer of B1 MBLs, including IMP (active on IMiPenem) and VIM ([NAME]). For two of these enzymes, VIM-2 and IMP-1, no inhibitors exist for clinical use. Thus, the identification of MBL inhibitors would provide useful tools for reducing nosocomial infections and elucidating their mechanism of action. | NS059451-01 | 1 | [NAME] | 24790728 85856282 | 4870494 | 1854 |  | VIM-2 | 223 | IMP-1 | 269 | 2009-11-13 00:00:00 | The Scripps Research Institute Molecular Libraries Screening Center | The Scripps Research Institute Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], TSRI | 19553129 | Y2
121 | HTS for HePTP Inhibitors – a Leukemia Target | The goal of this project was to identify small molecule compounds that were potent and specific inhibitors of HePTP. | MH077603-01 | 1 | ML120 | 85176630 | 4302116 | 2085 | 2-[4-[[6-ethoxycarbonyl-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1, 3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid | HePTP | 1800 | VHR1, MKP-3 | 4.3, 11 | 2009-11-01 00:00:00 | Burnham Center for Chemical Genomics | Burnham Center for Chemical Genomics | [NAME] | [NAME] | Dr [NAME] w/Dr Lutz Tautz & Burnham Institute for Medical Research |  | Y2
120 | HTS for HePTP Inhibitors – a Leukemia Target | The goal of this project was to identify small molecule compounds that were potent and specific inhibitors of HePTP. | MH077603-01 | 1 | ML119 | 26514203 | 1357397 | 2085 |  | HePTP | 235 | VHR1, MKP-3 | 5, 21 | 2009-11-01 00:00:00 | Burnham Center for Chemical Genomics | Burnham Center for Chemical Genomics | [NAME] | [NAME] | Dr [NAME] w/Dr Lutz Tautz & Burnham Institute for Medical Research |  | Y2
119 | Small Molecule Inhibitors of Wee1 Degradation and Mitotic Entry | Wee1 is a kinase that phosphorylates the Cdk1/cyclin B complex and delays entry of cells into mitosis (M phase). The phosphatase Cdc25 counteracts Wee1 by dephosphorylating Cdk1/cyclin B. Wee1 is also a kinase substrate. As G2 progresses phosphorylated Wee1 accumulates and is recognized by E3 ubiquitin ligases and is degraded via the proteosome. Cdc25 is then able to remove the inhibitory phosphorylation on Cdk1 and mitotic entry proceeds. Thus, the goal of this probe development project was to identify small molecules that prevent mitotic entry, via a novel whole-cell HTS assay that measures Wee1-K328Mluciferase degradation. | NS056991-01 | 1 | ML118 | 87235992 | 44552613 | 1807 | 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(4-methylpyridin-2-yl)butanamide | Wee1 | 7870 | cyclin B | >6.3 | 2009-08-14 00:00:00 | The Scripps Research Institute Molecular Libraries Screening Center | The Scripps Research Institute Molecular Libraries Screening Center | [NAME] | [NAME] | Nagi Ayad, The Scripps Research Institute | 20660794 | Y2
118 | HTS of TB RmlC & RmlD dTDP-Rhamnose Formation Enzymes | To perform a high throughput screen of the NIH Molecular Libraries Small Molecule Repository (MLSMR) to identify novel, potent, and selective inhibitors of Mycobacterium tuberculosis cell wall biosynthetic pathway enzymes, RmlC and RmlD. | DA024889-01 | 1 | [NAME] | 7975595 | 5310786 |  | 3-[3-[(5-ethyl-[1,2,4]triazino[5, 6-b]indol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one | RmlC | 398 |  |  | 2009-09-29 00:00:00 | Penn Center for Molecular Discovery | Penn Center for Molecular Discovery | [NAME] | [NAME] | [NAME], Colorado State University |  | pilot
117 | Modulators of STAT Transcription Factors for the Targeted Therapy of Cancer (STAT3 Inhibitors) | Studies showing that STAT3 is activated in breast and prostate cancers, that genetic inhibition of STAT3 reduces cell proliferation, survival, and wound healing (1-4), and that disrupting STAT3-EGFR interactions reduces tumor growth (6), suggest that STAT3 signaling has broad cellular effects. As a result, the identification of selective STAT3 modulators may provide useful tools for exploring STAT3 biology. | MH079826-01 | 1 | ML116 | 24825594 87326012 | 2100018 | 1806 | 4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine | STAT3 | 4200 | STAT1 | STAT3 selective | 2009-08-28 00:00:00 | The Scripps Research Institute Molecular Libraries Screening Center | The Scripps Research Institute Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], [NAME] |  | Y2
116 | Modulators of STAT Transcription Factors for the Targeted Therapy of Cancer (STAT3 Activators) | Studies showing that STAT3 is activated in breast and prostate cancers, that genetic inhibition of STAT3 reduces cell proliferation, survival, and wound healing (1-3), and that disrupting STAT3-EGFR interactions reduces tumor growth (4), suggest that STAT3 activation has broad cellular effects. As a result, the identification of selective STAT3 modulators may provide useful tools for exploring STAT3 biology. | MH079826-01 | 1 | ML115 | 14735210 87334054 | 6619100 | 1805 | N-(4-chloro-2,5-dimethoxyphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide | STAT3 | 2 | STAT1 | >28,000 | 2009-08-27 00:00:00 | The Scripps Research Institute Molecular Libraries Screening Center | The Scripps Research Institute Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], [NAME] |  | Y2
115 | Probe Report for RBBP9 Inhibitors | The goal of the campaign was to discover compounds with inhibitory activity against RBBP9 that are selective among the serine hydrolases in mouse tissue and human cell line proteomes as assessed by gel-based ABPP. | CA087660 | 1 | ML114 | 85098567 | 5934766 | 1790 | [(E)-1-(1,3-thiazol-2-yl)ethylideneamino] cyclohexanecarboxylate | RBBP9 | 630 | >30 serine hydrolases | >100 | 2009-08-20 00:00:00 | The Scripps Research Institute Molecular Libraries Screening Center | The Scripps Research Institute Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], TSRI | 19329999 | Y2
114 | Small-Molecule Inhibitors of Vaccinia-H1-Related Phosphatase VHR | The overall goal is to develop selective and efficient VHR inhibitors for basic research on signal transduction processes and MAP kinase regulation. For the future, this work could also create proof-of concept evidence that VHR is a good drug target for the treatment of cervical cancer. | MH084230-01A1 | 1 | ML113 | 85256223 | 6161281 | 1661 | 2-[(5Z)-5-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl] methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid | VHR | 18 | MKP-1 | 25.6 | 2009-10-31 00:00:00 | Burnham Center for Chemical Genomics | Burnham Center for Chemical Genomics | [NAME] | [NAME] | Lutz Tautz & Burnham Institute for Medical Research | 19888758 | Y2
113 | Discovery of a small molecule inhibitor of ROMK with unprecedented selectivity | To identify small molecule inhibitors of Renal Outer Medullary Potassium Channel (ROMK, [NAME], [NAME]), a potassium channel located in the renal tubule where it critically regulates sodium and potassium balance. There are no selective small molecule inhibitors of ROMK. | NS057041-01 | 1 | ML112 | 84975340 | 44123657 | 2436 | 6-nitro-2-[(6-nitro-1H-benzimidazol-2-yl)methoxymethyl]-1H-benzimidazole | ROMK | 220 | Kir2.1, Kir4.1, [NAME], Kir2.3 | >50 | 2009-09-01 00:00:00 | [NAME] for GPCRs, Ion Channels & Transporters | Vanderbilt Specialized Chemistry Center for Accelerated Probe Development | [NAME] | [NAME] | [NAME], Vanderbilt University |  | Y2
112 | Discovery of a small molecule inhibitor of ROMK and [NAME] | To identify small molecule inhibitors of Renal Outer Medullary Potassium Channel (ROMK, [NAME], [NAME]), a potassium channel located in the renal tubule where it critically regulates sodium and potassium balance. There are no selective small molecule inhibitors of ROMK | NS057041-01 | 1 | ML111 | 84975334 | 4536383 | 2436 | 1,7-bis[(4-nitrophenyl)methyl]-4,10,13-trioxa-1,7-diazacyclopentadecane | ROMK | 294 | Kir2.1, Kir4.1 | >30 | 2009-09-01 00:00:00 | [NAME] for GPCRs, Ion Channels & Transporters | Vanderbilt Specialized Chemistry Center for Accelerated Probe Development | [NAME] | [NAME] | [NAME], Vanderbilt University | 19706730 | Y2
111 | Identification of activators for the M2 Isoform of human [NAME] | Data suggest a therapeutic strategy whereby activation of PKM2 may restore normal cellular metabolism to a state characteristic of normal differentiated cells. The goal of this project was to find pharmacological activators of PKM2 to test this theory. | MH085679-01 | 1 | ML170 | 85176568 | 4547230 | 2095 | N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide | hPK-M2 | 0.6 | hPK-R | 30 | 2009-09-01 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], Harvard University | 20017496 | Y2
110 | Antagonists of IAP-family anti-apoptotic proteins | The goal of this project was to generate small molecule compounds that mimic the effects of SMAC peptides, inhibiting the function of Inhibitor of Apoptosis Proteins (IAPs). | MH081277-01 | 1 | ML183 | 85164169 | 44176340 | 1638 | formic acid; (2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(2S)-1- (naphthalen-1-ylamino)-1-oxopropan-2-yl]butanamide | BIR1/2 (XIAP) | 2200 | BIR3 | 49.4 | 2010-09-30 00:00:00 | Burnham Center for Chemical Genomics | Burnham Center for Chemical Genomics | [NAME] | [NAME] | [NAME], Burnham Institute for Medical Research |  | Y2
109 | qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor | Identify small-molecule agonists of the Thyroid Stimulating Hormone Receptor. | MH080680-01 | 1 | ML109 | 26755506 | 25246343 | 1401 | N-[4-[[5-(3-benzyl-5-hydroxy-4-oxo-1, 2-dihydroquinazolin-2-yl)-2-methoxyphenyl]methoxy]phenyl]acetamide | TSH receptor | 7943 | FSHR, LHR | >10 | 2009-09-01 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], NIDDK | 19592511 | Y2
108 | Discovery of a Highly Selective in vitro and in vivo M4 Positive Allosteric Modulator (PAM) | To identify small molecule positive allosteric modulators [NAME] agonists of the M4 muscarinic acetylcholine receptor that are cell permeable, possess submicromolar potency and show greater than 10-fold selectivity over the other mAChRs (M1, [NAME], M3 and M5) employing a functional HTS approach. | MH077607-01 | 1 | ML108 | 85163688 | 864492 | 2616 | 3-amino-N-[(4-methoxyphenyl)methyl]-4,6-dimethylthieno[2, 3-b]pyridine-2-carboxamide | M4 | 370 | M1, [NAME], M3, M5, PanLabs | >100 | 2009-09-01 00:00:00 | [NAME] for GPCRs, Ion Channels & Transporters | Vanderbilt Specialized Chemistry Center for Accelerated Probe Development | [NAME] | [NAME] | [NAME]Niswender, Vanderbilt University | 18772318 | Y2
107 | HTS for inhibitors of Eukaryotic Translation Initiation | The goal of this project is to identify small molecules that impair the ribosome recruitment phase of eukaryotic translation initiation by targeting the interaction between [NAME] and eIF4G with potential for use in cancer therapy. Furthermore, these may be of use against rapamycin-resistant cancers. | MH081216-01 | 1 | [NAME] | 57269291 | 16195554 | 782 | 4-[(3E)-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-oxo-5- phenylpyrrol-1-yl]benzoic acid | eIF4F | 3900 |  |  | 2009-07-13 00:00:00 | Emory Chemical Biology Discovery Center | Emory Chemical Biology Discovery Center | [NAME] | [NAME] | [NAME], McGill University |  | pilot
106 | A high-throughput screen for pre-mRNA splicing modulators | In this effort, we have aimed to 1) identify specific modulators of LMNA pre-mRNA splicing; these compounds are leads in the search for drugs with therapeutic potential in HGPS and 2) identify general pre-mRNA splicing inhibitors; these compounds will be useful as experimental tools in the study of pre-mRNA splicing mechanisms. | MH084827-01 | 2 | ML106 | 4237508 | 3232621 | 1997 | 6-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine | Clk4 | 80 | >400 kinases | 0.014 selectivity score | 2009-05-18 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], NCI |  | Y1
105 |  |  |  |  | [NAME] | 4239891 | 3234998 | 1997 | 2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine |  |  |  |  | 2009-05-18 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC)
104 | High throughput screening for SMA | A screen of this assay with a compound library can identify compounds that increase SMN2 levels by three mechanisms: modulating alternative splicing of SMN exon 7, increasing transcription from the SMN2 promoter, or stabilizing the SMN protein. | MH084179-01 | 1 | ML104 | 24819285 | 6404603 | 1474 | 5-methoxy-3,6-diphenyl-1,2,4-triazine | SMN2 protein expression | 2,512nM | SMN1 protein expression | >50 | 2009-05-18 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], University of Massachusetts Medical School |  | Y1
103 | High Throughput Screening for Small Molecule Inhibitors of Heparin-induced Tau Fibril Formation | To identify novel inhibitors of tau fibrillization. | MH083262-01 | 1 | ML103 | 57288397 | 9795907 | 1475 | 7-amino-1-oxo-2-phenylthieno[3,4-d]pyridazine-4-carboxylic acid | Human tau | 6300 | Abeta(1-42) | 5.6 | 2009-05-18 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], University of Pennsylvania | 19580328 | Y1
102 | HTS for Identification of Inhibitors against the ERK Signaling Pathway using a Homogenous Cell-based Assay | The goal of this project was to evaluate this technology and screen the MLPCN’s compound collection (the MLSMR) to identify novel cell-membrane permeable inhibitors of the ERK signaling pathway. | MH082406-01 | 1 | ML102 | 22409543 | 2303746 | 1742 | 4-methyl-3-(2-phenylhydrazinyl)-1,5-benzodiazepin-2-one | EGFR | 710 | [NAME], Mek-1 | >100 | 2009-05-18 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], NCGC |  | Y1
101 | Antagonists of IAP-family anti-apoptotic proteins | In this study we investigated small molecule compounds that mimicked the effect of SMAC in antagonizing IAPs by causing them to release [NAME]. | MH081277-01 | 1 | ML101 | 57643995 | 25241665 | 1638 | (2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]- N-quinolin-5-ylpyrrolidine-2-carboxamide | BIR1/2 (XIAP) | 4000 | BIR3 | 8.2 | 2009-05-18 00:00:00 | Burnham Center for Chemical Genomics | Burnham Center for Chemical Genomics | [NAME] | [NAME] | [NAME], Burnham Institute for Medical Research |  | Y1
100 | uHTS for the identification of compounds that potentiate TRAIL-induced apoptosis of cancer cells | Based on the multi-component regulation of TRAIL-mediated apoptotic signaling we believe that by employing high throughput screening (HTS) techniques we will identify BCCG CPR TRAIL CID3380841 Page 3 of 17 Template H chemical hits and develop them into research tools and, ultimately, drugs that will efficiently, specifically, and safely sensitize different tumor cell lines to TRAIL-induced apoptosis. | MH081232-01 | 1 | ML100 | 57287667 | 3380841 | 1640 | 2-(dichloromethyl)-4-(4-methylphenyl)-6-methylsulfanyl-1,3,5-triazine | PPC-1 cells + TRAIL | 372 | cytotoxicity | >27 | 2009-05-18 00:00:00 | Burnham Center for Chemical Genomics | Burnham Center for Chemical Genomics | [NAME] | [NAME] | [NAME], Burnham Institute for Medical Research | 19509255 | Y1
99 | Three small molecule pan activator families of [NAME]-related GTPases | Recent studies have mainly been focused on the identification of GTPase inhibitors. To our knowledge, small molecule activators of low molecule weight GTPases, with the possible exception of aluminum tetrafluoride which activates the GDP bound form are unknown. | MH081231-01 | 3 | ML099 | 57578335 | 888706 | 1772 | 2-phenethylsulfanylpyridine-3-carboxylic acid | cdc42 activated mutant | 59 | glutathione S-transferase | >1000 | 2009-05-18 00:00:00 | New Mexico Molecular Libraries Screening Center | New Mexico Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], University of New Mexico | 20008126 | Y1
98 |  |  |  |  | ML098 | 57578337 | 7345532 | 1772 | 1-[2-(2,5-dimethylphenoxy)ethyl]indole-3-carboxylic acid | cdc42 activated mutant | 355 | glutathione S-transferase | >200 | 2009-05-18 00:00:00 | New Mexico Molecular Libraries Screening Center | New Mexico Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], University of New Mexico | 20008126
97 |  |  |  |  | [NAME] | 57578338 | 2160985 | 1772 | 2-[(2-bromophenyl)methoxy]benzoic acid | cdc42 activated mutant | 50 | glutathione S-transferase | >1000 | 2009-05-18 00:00:00 | New Mexico Molecular Libraries Screening Center | New Mexico Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], University of New Mexico | 20008126
96 | Therapeutic Inhibitors of Phosphomannose Isomerase | We proposed that CDG-Ia patients will benefit from dietary mannose if we simultaneously reduce PMI activity with a non-competitive or un-competitive inhibitor. This would allow a modest intracellular accumulation of Man-6-P and drive metabolic flux into the glycosylation pathway using the residual PMM2 activity. | MH082386-01 | 1 | ML096 | 57309177 | 25199533 | 1545 | 4-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)dithiazol-5-imine | PMI | 1070 | PMM2 |  | 2009-05-17 00:00:00 | Burnham Center for Chemical Genomics | Burnham Center for Chemical Genomics | [NAME] | [NAME] | [NAME], Burnham Institute for Medical Research |  | Y1
95 | Placental [NAME] (PLAP) Luminescent HTS assay | the identification of PLAP-specific inhibitors with selectivity over tissue non-specific alkaline phosphatase (TNAP) and intestinal alkaline phosphatase (IAP) will provide the necessary tools to characterize its biological role. Currently, inhibitors of PLAP lack either potency or selectivity. | MH077602-01 | 1 | ML095 | 56405584 | 25067483 | 1577 | 1-(3,4-dihydroxyphenyl)-2-(2-ethylimidazol-1-yl)ethanone hydrochloride | PLAP | 4240 | TNAP | >27 | 2009-05-16 00:00:00 | Burnham Center for Chemical Genomics | Burnham Center for Chemical Genomics | [NAME] | [NAME] | [NAME], Burnham Institute for Medical Research |  | Y1
94 | qHTS Assay for Inhibitors of 15-hLO-1 (15-human lipoxygenase 1) | The overall goal is to screen against three lipoxygenase isozymes; reticulocyte 15hLO-1, epidermal 15hLO-2 and platelet 12hLO, with the aim of finding selective inhibitors specific for each isozyme. | MH081283-01 | 1 | ML094 | 81065473 | 1998940 | 887 | 4-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-fluorobenzoate | 15hLO-1 | 1 | 5hLO | 4166 | 2009-05-14 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | Holman, T.R., University of California, Santa Cruz |  | Y1
93 | Profiling Report: Detergent-sensitive Inhibitors of Cruzain (Aggregators) | Using the cruzain enzymatic assay as a model screening system of an enzyme carrying a reactive cysteine catalytic residue, we attempt to profile the MLSMR collection with respect to several sources of false-positive or promiscuous types of inhibition: compound autofluorescence (1), colloidal aggregation (2), and reactive compounds. | DA024891-01 | 0 | ML093 | -1001 | -1001 | 1476, 1478 |  |  |  |  |  | 2009-05-14 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], UCSF |  | Y1
92 | Promiscuous and Specific Inhibitors of Cruzain (6-(3,5-difluorophenylamino)-9-ethyl-9H-purine-2-carbonitrile) | We aim to discover and develop novel cruzain inhibitors to ultimately aid in the development of antitrypanosomal agents. | DA024891-01 | 1 | [NAME] | 85267412 99206571 | 44143088 | 1476, 1478 | 6-(3,5-difluorophenylamino)-9-ethyl-9H-purine-2-carbonitrile | Cruzain | 100 | Papain | 3 | 2009-05-14 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], UCSF |  | Y1
91 | Promiscuous and Specific Inhibitors of Cruzain (2-oxo-1,2-diphenylethyl 2-(cyclohexanecarboxamido)acetate) | We aim to discover and develop novel cruzain inhibitors to ultimately aid in the development of antitrypanosomal agents. | DA024891-01 | 1 | ML091 | 85267411 99206570 | 44143092 | 1476, 1478 | 2-oxo-1,2-diphenylethyl 2-(cyclohexanecarboxamido)acetate | Cruzain | 1260 | Papain | 40 | 2009-05-14 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], UCSF | 19908842 | Y1
90 | Probe Report for Nox1 Inhibitors | The identification of potent, selective inhibitors of [NAME] may lead to potential candidates for excess cell proliferation, cancer, and IBD. The known Nox inhibitors are of low micromolar potencies and are non-selective. | MH083264-01 | 1 | ML090 | 26535836 | 616479 | 1796 | 6,11-dihydroquinoxalino[2,3-b]quinoxaline | Nox1 | 90 | Nox2, Nox3, Nox4 | >100 | 2009-04-23 00:00:00 | The Scripps Research Institute Molecular Libraries Screening Center | The Scripps Research Institute Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], The Scripps Research Institute |  | Y1
89 | Therapeutic Inhibitors of Phosphomannose Isomerase | To develop novel phosphomannose isomerase (PMI) inhibitors for further characterization and therapeutics of Congenital Disorders of Glycosylation (CDG). | MH082386-01 | 1 | ML089 | 57287553 | 22416235 | 1545 | 5-fluoro-2-phenyl-1,2-benzothiazol-3-one | PMI | 1300 | PMM2 |  | 2009-04-21 00:00:00 | Burnham Center for Chemical Genomics | Burnham Center for Chemical Genomics | [NAME] | [NAME] | [NAME], Burnham Institute for Medical Research |  | Y1
88 | HTS identification of compounds activating TNAP at an intermediate concentration of phosphate acceptor detected in luminescent assay | The specific aims of this project were to identify small molecule compounds in the MLSMR that were highly specific activators of TNAP using a luminescence-based assay; test the confirmed positives in a secondary assay with natural substrates of TNAP, check for specificity against other recombinant phosphatases and test confirmed positives for their ability to increase calcification in osteoblast cultures. The novel chemical probes identified in this way may ultimately lead to a novel therapy for osteoporosis patients. | MH082385-01 | 2 | [NAME] | 48410176 | 704205 | 1548 | 2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide | TNAP | 6190 |  |  | 2009-04-21 00:00:00 | Burnham Center for Chemical Genomics | Burnham Center for Chemical Genomics | [NAME] | [NAME] | [NAME], Burnham Institute for Medical Research |  | Y1
87 |  |  |  |  | ML087 | 56373763 | 25199559 | 1548 | (3Z)-3-[(2-hydroxyphenyl)hydrazinylidene]-1-prop-2-enylindol-2-one | TNAP | 199 |  |  | 2009-04-21 00:00:00 | Burnham Center for Chemical Genomics | Burnham Center for Chemical Genomics | [NAME] | [NAME] | [NAME], Burnham Institute for Medical Research
86 | The Role of PHOSPHO1 in the Initiation of Skeletal Calcification | The main aim of this project was to screen large comprehensive chemical libraries to identify lead compounds for PHOSPHO1-specific inhibitors that will enable the elucidation of the functional involvement of this enzyme in skeletal mineralization and related biological phenomena. | MH084086-01 | 1 | ML086 | 57287582 | 16749996 | 1574 | N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzamide | PHOSPHO-1 | 139 | TNAP | >719 | 2009-04-18 00:00:00 | Burnham Center for Chemical Genomics | Burnham Center for Chemical Genomics | [NAME] | [NAME] | [NAME], Burnham Institute for Medical Research |  | Y1
85 | Placental [NAME] (PLAP) Luminescent HTS assay | The identification of PLAP-specific inhibitors with selectivity over tissue non-specific alkaline phosphatase (TNAP) and intestinal alkaline phosphatase (IAP) will provide the necessary tools to characterize its biological role. | MH077602-01 | 1 | ML085 | 56373725 | 665093 | 1577 | 1-(3,4-dihydroxyphenyl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2, 4-triazol-3-yl]sulfanyl]ethanone | PLAP | 2600 | TNAP | >42 | 2009-04-18 00:00:00 | Burnham Center for Chemical Genomics | Burnham Center for Chemical Genomics | [NAME] | [NAME] | [NAME], Burnham Institute for Medical Research |  | Y1
84 | Identification of lipid storage modulators | The goal is to identify chemical probes affecting lipid storage regulation. | MH085686-01 | 1 | ML084 | 11114231 | 310557 | 1519 | methyl 2-[(4-fluorobenzoyl)amino]benzoate | COPI | 5000 | Cytotoxicity | >10 | 2009-04-16 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | Mathias [NAME], Max Planck Institute for Biophys Chem | 19067489 | Y1
83 | Identification of activators for the M2 isoform of human pyruvate kinase | We aimed to discover and optimize selective modulators of human pyruvate kinase [NAME] (hPK-M2), a splice isoform of pyruvate kinase that is specifically expressed in tumor cells. | MH085679-01 | 2 | [NAME] | 847943 | 650361 | 2095 | 1-(2,3-dihydro-1, 4-benzodioxin-7-ylsulfonyl)-4-(4-methoxyphenyl)sulfonylpiperazine | hPK- M2 | 0.6 | hPK- R | >30 | 2009-04-16 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], [NAME] | 20017496 | Y1
82 |  |  |  |  | ML082 | 851783 | 654376 | 2095 | 6-(2-Fluoro-benzyl)-2,4-dimethyl-4,6-dihydro-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one | hPK- M2 | 0.2 | hPK- L | >10 | 2009-04-16 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], [NAME] | 20017496
81 | Probe Report for RBBP9 Inhibitors | The identification of compounds that selectively inhibit RBBP9 activity may provide valuable probes for the study of apoptosis, cell cycle, and tumorigenesis. | CA087660-05 | 1 | ML081 | 855836 | 6603320 | 1790 | (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3, 4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7, 11b-hexahydro-1H-pyrido[2,1-a]isoquinoline hydrochloride | RBBP9 | 50% inhibition at 5 uM in [NAME] assay | >30 serine proteases | >200 | 2009-03-13 00:00:00 | The Scripps Research Institute Molecular Libraries Screening Center | The Scripps Research Institute Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], Scripps Research Institute | 19329999 | Y1
80 | Probe Report for P97/cdc48 Inhibitors | The identification of probes that selectively target p97 activity may provide insights into the biological roles of P97. | MH085687-01 | 1 | [NAME] | 56432669 | 25110544 | 1794 | 4-[[4-(2,4-dihydroxyphenyl)-1, 3-thiazol-2-yl]amino]-2-(trifluoromethyl)benzonitrile | P97 ATPase | 4500 | Mutant P97C522A | >10 | 2009-03-06 00:00:00 | The Scripps Research Institute Molecular Libraries Screening Center | The Scripps Research Institute Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], California Institute of Technology |  | Y1
79 | Identification of Functionally Selective Small Molecule Antagonists of the Neuropeptide-S Receptor: Naphthopyranopyrimidines | The goal of this project is to identify antagonists for neuropeptide S receptor as research probes to further study the functions of NPS receptor in animal models. | DA026210-01 | 1 | ML079 | 56431681 56431665 | 3719993 | 1461 | 12-(3,4-Dimethoxy-phenyl)-10-(2-morpholin-4-yl-ethyl)-10,12-dihydro-7-oxa-8,10-diaza-benzo[a]anthra cen-11-ylideneamine | neuropeptide S receptor | 1585 | Muscarinic acetylcholine receptor M1 | >30 | 2009-02-13 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], National Institute on Alcohol Abuse and Alcoholism |  | Y1
78 | HTS for Inhibitors of BAP1 | The long-term goal of this project is to identify a specific, selective inhibitor compound for the deubiquitinating activity of BAP1, a BRCA1 associated deubiquitinating enzyme. | MH076382-01 | 1 | ML078 | 48410639 | 24178362 |  | 2-(4-(4-chlorophenyl)pyrimidin-2-ylthio)-N-(3-cyano-4-(4-fluorophenyl)-5-methylthiophen-2-yl)acetamide | Bap1 | 10,900 (competitive reversible) |  |  | 2009-02-05 00:00:00 | Emory Chemical Biology Discovery Center | Emory Chemical Biology Discovery Center | [NAME] | [NAME] | [NAME], Emory University |  | pilot
77 | Discovery of a Highly Selective KCC2 Antagonist | To identify small molecule ligands (both agonists and antagonists) of the neuronal K-Cl cotransporter KCC2. | NS053658-01 | 1 | ML077 | 56405461 99350545 | 25067404 | 1799 | N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide | [NAME] | 537 | NKCC1 | >100-fold | 2009-02-01 00:00:00 | [NAME] for GPCRs, Ion Channels & Transporters | Vanderbilt Specialized Chemistry Center for Accelerated Probe Development | [NAME] | [NAME] | [NAME], Vanderbilt University | 19279215 | Y1
76 | Inhibitors of Protein Folding: DnaK | The specific aim of this project was to identify small molecule binders that would modulate/alter the function of DnaK by specifically interacting with its substrate-binding domain (SBD). | MH078942-01 | 1 | ML076 | 56427267 | 25105719 | 1501 | N-(1-benzothiophen-7-ylmethyl) thiophene-2-carboxamide | DnaK | <200,000 |  |  | 2009-01-15 00:00:00 | Burnham Center for Chemical Genomics | Burnham Center for Chemical Genomics | [NAME] | [NAME] | [NAME], Ph.D., Burnham Institute for Medical Research | 19694756 | Y1
75 | Probe Report for NPY-Y2 Receptor Antagonists | to produce brain penetrant, high affinity selective ligands for the Y2 receptor. | NS056950-01 | 4 | ML075 | 17507305 | 2936384 | 1791 | N-(4-ethoxyphenyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide | NPY-Y2 | 220 | NPY Y1 | >100-fold | 2009-01-13 00:00:00 | The Scripps Research Institute Molecular Libraries Screening Center | The Scripps Research Institute Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], The Scripps Research Institute (TSRI) |  | Y1
74 |  |  |  |  | ML074 | 17413392 | 2228302 | 1791 |  | NPY-Y2 | 428 | NPY Y1 | >75 | 2009-01-13 00:00:00 | The Scripps Research Institute Molecular Libraries Screening Center | The Scripps Research Institute Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], The Scripps Research Institute (TSRI)
73 |  |  |  |  | ML073 | 4242079 | 3236979 | 1791 |  | NPY-Y2 | 733 | NPY Y1 | >40 | 2009-01-13 00:00:00 | The Scripps Research Institute Molecular Libraries Screening Center | The Scripps Research Institute Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], The Scripps Research Institute (TSRI)
72 |  |  |  |  | ML072 | 22413249 | 4460128 | 1791 |  | NPY-Y2 | 3917 | NPY Y1 | 9 | 2009-01-13 00:00:00 | The Scripps Research Institute Molecular Libraries Screening Center | The Scripps Research Institute Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], The Scripps Research Institute (TSRI)
71 | Discovery of a Highly Selective in vitro and in vivo M1 Allosteric Agonist Probe | To identify small molecule agonists of M1 muscarinic receptor that are cell permeable, exhibit submicromolar potency, and show greater than 10 fold selectivity over other muscarinic family members [NAME], M3, M4 and M5. | MH077606-01 | 1 | ML071 | 56353039 99350544 | 25010775 | 1798 | [NAME] 4-(2-methylbenzamido)ethylamino)piperidine-1-carboxylate | M1 | 198 | M2-M5 | >263-fold | 2008-12-03 00:00:00 | [NAME] for GPCRs, Ion Channels & Transporters | Vanderbilt Specialized Chemistry Center for Accelerated Probe Development | [NAME] | [NAME] | [NAME], Vanderbilt University |  | Y1
70 | Tumor Hsp90 Inhibitor | To identify novel tumor Hsp90 inhibitors with potential for use in cancer therapy and in the treatment of neurodegenerative diseases. | MH076499-01 | 1 | ML070 | 24724290 | 245086 |  |  |  | 1000 |  |  | 2008-04-14 00:00:00 | Emory Chemical Biology Discovery Center | Emory Chemical Biology Discovery Center | [NAME] | [NAME] | [NAME], [NAME] | 15296636, 17942784, 18571929 | pilot
69 | Inhibitors of BRCT-Phosphoprotein Interaction | To identify inhibitors of the protein-protein interaction between tumor suppressor BRCT and phosphoproteins. | MH081227-01 | 1 | ML069 | 11111316 | 151582 |  |  |  | 6100 |  |  | 2008-04-02 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], U. Texas | 18158907 | pilot
68 | Splicing modulators at the Beta Globin locus | Identify small-molecule modulators of Beta-Globin splicing by high throughput screening of chemical libraries. | MH080684-01 | 1 | ML068 | 11112293 | 2265 | 1405 | 8-Azaguanine |  | 500 |  |  | 2008-04-02 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], UNC |  | pilot
67 | Agonists of the Thyroid Stimulating Hormone Receptor | Identify small-molecule agonists of the Thyroid Stimulating Hormone Receptor. | MH080680-01 | 1 | ML067 | 3714076 | 2998659 | 1401 | [2-(furan-2-ylmethylamino)-2-oxoethyl] adamantane-1-carboxylate |  | 11500 | FSHR, LHCGR | Inactive @100 uM | 2008-04-02 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], NIH/NIDDK | 18216391 | pilot
66 | Epigenetic Modulators | Identify small-molecule modulators of cellular epigenetic pathways | MH079860-01 | 1 | ML066 | 26755514 | 2876959 | 1653 |  |  | 5000 | AP1 signaling assay | ≥7 (Inactive @ 38 uM) | 2008-04-02 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], U. Texas SW MC | 18211814, 17110211 | pilot
65 | Epigenetic Modulators | Identify small-molecule modulators of cellular epigenetic pathways | MH079860-01 | 1 | ML065 | 26752291 | 975656 | 1653 |  |  | 8900 | AP1 signaling assay | ≥4 (Inactive @ 38 uM) | 2008-04-02 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], U. Texas SW MC | 18211814, 17110211 | pilot
64 | Epigenetic Modulators | Identify small-molecule modulators of cellular epigenetic pathways | MH079860-01 | 1 | ML064 | 17389072 | 10788 | 1653 |  |  | 7900 | AP1 signaling assay | ≥5 (Inactive @ 38 uM) | 2008-04-02 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], U. Texas SW MC | 18211814, 17110211 | pilot
63 | Ikappa-B-alpha stabilizers in a human lymphoma cell line | To develop chemical probes that stabilize human I-kappa-B-alpa using a two color luciferase-based cell assay. | MH078957-01 | 1 | ML063 | 857745 | 659101 |  |  |  | 2600 | Cytoxicity | non-toxic 57 uM after 4 hrs | 2008-04-02 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], NCGC | 18024113, 17355202 | pilot
62 | DNA-polymerase III (polymerase core enzme) inhibitor | 1. Transfer and run the HTS assay for the DNA polymerase III Holoenzyme ([NAME]) from the representative [NAME] (-) model organism E. coli. 2. Prioritize compounds identified via HTS of the MLSCN library for further chemical optimization and development. | MH077636-01 | 1 | ML062 | 11113162 | 5281855 |  |  |  | 37 |  |  | 2008-04-02 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], U. Colorado |  | pilot
61 | DNA Primase Inihibitor | 1. Transfer and run the HTS assay for the DNA polymerase III Holoenzyme ([NAME]) from the representative [NAME] (-) model organism E. coli. 2. Prioritize compounds identified via HTS of the MLSCN library for further chemical optimization and development. | MH077636-01 | 1 | ML061 | 11111487 | 5281672 |  |  |  | 30000 | Polymerase Core: 277 | 9 | 2008-04-02 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], U. Colorado |  | pilot
60 | qHTS Assay for Disrupters of an Hsp90 Co-Chaperone Interaction | Heat shock protein 90 (Hsp90) is the essential molecular chaperone which regulates a variety of cellular functions including development, cell cycle, and steroid hormone signaling. The disruption of interaction between the C-terminal portion of [NAME] and TPR2A domain of HOP may regulate the [NAME] functions. | MH077625-01 | 1 | ML060 | 26753499 | 3164059 |  |  |  | 1150 |  |  | 2008-04-02 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], Yale | 18785742, 19211782 | pilot
59 | Tau Filament Binding | Identify ligands capable of binding amyloidgenic tau conformations with high affinity. | MH077621-01 | 1 | ML059 | 862054 | 663281 |  |  |  | 2700 | Alpha-synuclein | 2.4-fold | 2008-04-02 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], Ohio State U. | 17761424 | pilot
58 | Inhibitor of the Mevalonate Pathway in Streptococcus pneumoniae 1: Inhibitors of Mevalonate Kinase (MK) | To identify specific probes that inhibit the MK enzyme, the first of three enzymes in the mevalonate pathway of S. pneumoniae. | MH078936-01 | 1 | ML058 | 26701727 | 16740889 |  | 2-[2-(pyrrolidine-1-carbonyl)phenyl]-1,2-benzisothiazol-3-one |  | 510 | Diphosphomevalonate decarboxylase (DPMDC) | Inactive | 2008-04-01 00:00:00 | Southern Research Molecular Libraries Screening Center | Southern Research Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], [NAME] COM |  | pilot
57 | Pantothenate Synthetase (PanC) Inhibitor | To identify specific probes that inhibit the Mycobacterium tuberculosis pantothenate synthetase enzyme for X-ray crystallographic studies | MH076412-01 | 1 | ML057 | 26736112 | 16750003 |  | 5-tert-butyl-N-[1-[(4-iodophenyl)methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide |  | 60 | In Vitro Inhibition of M. tuberculosis | Inactive | 2008-04-01 00:00:00 | Southern Research Molecular Libraries Screening Center | Southern Research Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], SRI |  | pilot
56 | S1P1 Antagonist | Identify compounds which provide insight into the molecular mechanism of S1P biological function. | MH076534-01 | 1 | ML056 | 24257742 | 6857802 |  |  |  |  |  |  | 2008-03-30 00:00:00 | The Scripps Research Institute Molecular Libraries Screening Center | The Scripps Research Institute Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], Scripps | 16829954, 18708635, 18590333, 18577684 | pilot
55 | High Throughput Fluorescence Polarization Screen for Bcl-B Phenotypic Converters | To identify small molecule chemical probes that bind to Bcl-B within its TR3-binding site. | MH077632-01 | 1 | ML055 | 17457047 | 5816499 |  |  |  | 5600 | BH-3/Bcl-B or Bcl-2; TR3/Bcl-B or Bcl-2; ATP-Hsp70 binding | All >100 | 2008-03-24 00:00:00 | San Diego Center for Chemical Genomics | San Diego Center for Chemical Genomics | [NAME] | [NAME] | [NAME], [NAME] | 18626112 | pilot
54 | Autoinducing pheromone (AIP)-dependent bacterial quorum sensing:  AIP binding target | 1. To screen libraries of small molecules in a high throughput fluorescence-based screening assay to identify compounds capable of suppressing pheromone-dependent activation of the promoter for a global regulator of Staphylococcus aureus virulence, RNAIII. 2. To confirm that the compounds that inhibit RNAIII promoter activation also inhibit expression of the virulence genes that are regulated by RNAIII. | MH078952-01 | 1 | [NAME] | 24424558 | 2333 |  | Benzbromarone |  | 150 | Bacterial Viability Assay | No detectable effects in short and long cultures | 2008-03-14 00:00:00 | New Mexico Molecular Libraries Screening Center | New Mexico Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], UNM |  | pilot
53 | Autoinducing pheromone (AIP)-dependent bacterial quorum sensing of S. aureus Agr3 agr locus genotype: target downstream of AIP binding | 1. To screen libraries of small molecules in a high throughput fluorescence-based screening assay to identify compounds capable of suppressing pheromone-dependent activation of the promoter for a global regulator of Staphylococcus aureus virulence, RNAIII. 2. To confirm that the compounds that inhibit RNAIII promoter activation also inhibit expression of the virulence genes that are regulated by RNAIII. | MH078952-01 | 1 | ML053 | 4246674 | 3240990 |  | N-2,3-dihydro-1,4-benzodioxin-6-yl-2-(3-methylpiperidin-1-yl)-2-phenylacetamide |  | 150 | Bacterial Viability Assay | No detectable effects in short and long cultures | 2008-03-14 00:00:00 | New Mexico Molecular Libraries Screening Center | New Mexico Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], UNM |  | pilot
52 | Activator of Prostate Cell Differentiation | 1. To screen for small molecules that modulate prostate cell differentiation, using HyperCyt® high throughput (HT) flow cytometry. 2. To counter-screen active compounds identified in the primary and confirmatory screens in LNCaP cells in a similar dose response assay using PC-3 cells to identify small molecules that induce intracellular granularity in an androgen-independent manner. | MH078937-01 | 1 | ML052 | 4246202 | 3240581 |  |  |  | 300 | Androgen Independent Phenotypic Response |  | 2008-03-14 00:00:00 | New Mexico Molecular Libraries Screening Center | New Mexico Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], UNM | 19470718 | pilot
51 | Competitive inhibitor of lingand binding for G protein-coupled receptor 30 (GPR30) | To identify small molecule ligands specific for GPR30 or the classical estrogen receptors (ERalpha and ERBeta). | MH077627-01 | 1 | ML051 | 48409542 | 5322399 |  | (1-[4-(6-Bromo-benzo[1,3]dioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-ethanone) |  | 7 | Era; ERb | no significant binding to ER alpha or beta | 2008-03-14 00:00:00 | New Mexico Molecular Libraries Screening Center | New Mexico Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], UNM |  | pilot
50 | Competitive inhibitor of lingand binding for G protein-coupled receptor 30 (GPR30) | To identify small molecule ligands specific for GPR30 or the classical estrogen receptors (ERalpha and ERBeta). | MH077627-01 | 1 | [NAME] | 48409616 | 3136844 |  | (4-(6-Bromo-benzo[1,3]dioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline) |  | 20 | Era; ERb | no significant binding to ER alpha or beta | 2008-03-14 00:00:00 | New Mexico Molecular Libraries Screening Center | New Mexico Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], UNM | 16520733, 19430488 | pilot
49 | Fluorescent Cross-Reactive FPR/FPRL1 Hexapeptide Ligand | The specific aim of this proposal is to optimize a duplex fluorescent ligand binding assay that integrates the two assays so as to enable simultaneous high throughput screening of both receptors. This assay will be submitted for use in screening of the Small Molecule Repository to detect compounds that selectively bind FPR and FPRL1. | MH076381-01 | 1 | ML049 | -1000 | -1000 |  |  |  |  |  |  | 2008-03-14 00:00:00 | New Mexico Molecular Libraries Screening Center | New Mexico Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], UNM |  | pilot
48 | Formylpeptide Receptor (FPR) Antagonist | Identify small-molecule probes directed against the human formylpeptide receptor (FPR), a G-protein coupled receptor implicated in anti-bacterial inflammatory responses and malignant glioma metastasis. | MH076381-01 | 1 | ML048 | 24428139 | 3092570 |  |  |  | 95 | FPRL-1 | 119 | 2008-03-14 00:00:00 | New Mexico Molecular Libraries Screening Center | New Mexico Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], UNM |  | pilot
47 | Formylpeptide Receptor-Like 1 (FPRL-1) Antagonist | Identify small-molecule probes directed against the human formylpeptide receptor-like-1 (FPRL1), a G-protein coupled receptor implicated in anti-bacterial inflammatory responses and malignant glioma metastasis. | MH076381-01 | 1 | ML047 | 24702504 | 6622773 |  |  |  | 3100 | FPR | 21 | 2008-03-14 00:00:00 | New Mexico Molecular Libraries Screening Center | New Mexico Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], UNM |  | pilot
46 | Ruthenium-based TrkA Inhibitor | To design potent, specific, and novel Ruthenium-based small-molecule inhibitors of the protein kinase TrkA. | MH077611-01 | 1 | ML046 | 49649811 | 24748038 |  |  |  | 30 |  |  | 2008-03-13 00:00:00 | Penn Center for Molecular Discovery | Penn Center for Molecular Discovery | [NAME] | [NAME] | [NAME], [NAME] | 19226137 | pilot
45 | Aggregation and Clearance of Huntingtin Inclusions: Huntington’s Disease Assay | To discover modifiers of pathways responsible for clearance of mutant [NAME] protein. | MH076348-01 | 1 | ML045 | 49729242 | 23631972 |  | 4-(2-(6-chloroquinazolin-4-ylamino)ethyl)phenol |  |  |  |  | 2008-03-12 00:00:00 | MLSCN Center at Columbia University | MLSCN Center at Columbia University | [NAME] | [NAME] | Ai Yamamoto, Columbia | 18024113 | pilot
44 | [NAME] | To identify small molecule inhibitors of PKD | DA024898-01 | 1 | ML044 | 4242787 | 755673 |  |  |  | 264 | AKT; CDK7; PLK1 | > 50-fold | 2008-03-10 00:00:00 | University of Pittsburgh Molecular Screening Center | University of Pittsburgh Molecular Screening Center | [NAME] | [NAME] | [NAME], Pittsburgh | 17546004 | pilot
43 | Inhibitors of the Polo box domain of Human Polo-like kinase 1 | 1. Screen MLSCN compound libraries for inhibitors of the polo box domain of polo-like kinase-1 (Plk-1-PBD) using a high throughput-ready fluorescence polarization (FP) assay. 2. Follow up primary screen of PBD inhibitors with secondary biochemical and cell based assays to confirm hits. | MH078944-01 | 1 | ML043 | 47212999 | 5401876 |  |  |  | 13280 | [NAME] |  | 2008-03-07 00:00:00 | University of Pittsburgh Molecular Screening Center | University of Pittsburgh Molecular Screening Center | [NAME] | [NAME] | [NAME], MIT |  | pilot
42 | Inhibitor of anti-apoptotic protein Bfl-1 | To identify chemical probes of Bfl-1 through a fluorescence polarization assay (FPA) using FITC-[NAME] peptide. | MH077632-01 | 1 | ML042 | 26514105 | 2980973 |  | ethyl 2-(4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-ylsulfonyl)acetate |  | 2600 and 1800 | Bcl-B; Bcl-2; 4 Bcl family members | All >100 | 2008-01-10 00:00:00 | San Diego Center for Chemical Genomics | San Diego Center for Chemical Genomics | [NAME] | [NAME] | [NAME], [NAME] |  | pilot
41 | Inhibitor of anti-apoptotic protein Bfl-1 | To identify chemical probes of Bfl-1 through a fluorescence polarization assay (FPA) using FITC-[NAME] peptide. | MH077632-01 | 1 | ML041 | 3962106 | 779754 |  | 3-chloro-1-(3,4-dichlorophenyl)-4-(dimethylamino)-1H-pyrrole-2,5-dione |  | 460 and 570 | Bcl-B; Bcl-2; 4 Bcl family members | All >100 | 2008-01-10 00:00:00 | San Diego Center for Chemical Genomics | San Diego Center for Chemical Genomics | [NAME] | [NAME] | [NAME], [NAME] |  | pilot
40 | EphA4 Receptor Antagonists for Nervous System Repair | To identify small molecule antagonists that inhibit the binding of EphA4 to the KYL peptide which interacts with high affinity to the ephrin-binding site of EphA4. | MH077609-01 | 1 | ML040 | 17465980 | 668744 |  | 4-(2,5-dimethyl-1H-pyrrol-1-yl)-2-hydroxybenzoic acid |  | 2100 | EphB4; Alk Phos | EphB4 >50; Alk Phos > 1000 | 2008-01-10 00:00:00 | San Diego Center for Chemical Genomics | San Diego Center for Chemical Genomics | [NAME] | [NAME] | [NAME], Burnham | 18728010, 18708347 | pilot
39 | Tissue-nonspecific [NAME] (TNAP) | To identify novel highly potent and selective inhibitors of TNAP which to date have not been available. | MH077602-01 | 1 | [NAME] | 48410135 | 24178170 |  |  |  | 5 | PLAP (690); GAPDH | PLAP > 10; GAPDH >10; | 2008-01-10 00:00:00 | San Diego Center for Chemical Genomics | San Diego Center for Chemical Genomics | [NAME] | [NAME] | [NAME], [NAME] |  | pilot
38 | Intestinal alkaline phosphatase (IAP-L) Inhibitor | To identify inhibitors of intestinal alkaline phosphatase (IAP) that show selectivity for the target over the other alkaline phosphatase isozymes (PLAP, TNAP). | MH077602-01 | 1 | ML038 | 46493464 | 2946732 |  | 2-(3-phenyl-1H-1,2,4-triazol-5-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |  | 122 | IAP-C; TNAP-L(518); TNAP-C(614); PLAP-L(690) | IAP-C 11.3; TNAP-L 6.5X; TNAP-C > 1000X; PLAP-L 34.3X | 2008-01-10 00:00:00 | San Diego Center for Chemical Genomics | San Diego Center for Chemical Genomics | [NAME] | [NAME] | [NAME], [NAME] |  | pilot
37 | Chemical Inhibitors of ER Stress | To identify compounds that selectively inhibit cell death induced by endoplasmic reticulum (ER) stress in mammalian cells. | DA024887-01 | 1 | ML037 | 17464539 | 2878746 |  |  |  | 8800 | apoptosis induced by TNF/chx; staurosporine or VP16 up to 100 uM | >50 for all cell death pathways | 2008-01-10 00:00:00 | San Diego Center for Chemical Genomics | San Diego Center for Chemical Genomics | [NAME] | [NAME] | [NAME], [NAME] | 19004820 | pilot
36 | Human Cathepsin L Inhibitor | To perform a high throughput screen of the NIH Molecular Libraries Small Molecule Repository (MLSMR) to identify novel, potent, and selective inhibitors of human [NAME] | MH076406-01 | 1 | ML036 | 46493575 | 23631927 |  |  |  | 6.9 | Cathepsin B; Non-toxic to zebrafish at 100 μM; Inhibits SARS-CoV pseudotype infection with IC50 = ~200 nM; Inhibits Ebola virus pseudotype infection with IC50 = ~200 nM. | 725 | 2008-01-07 00:00:00 | Penn Center for Molecular Discovery | Penn Center for Molecular Discovery | [NAME] | [NAME] | [NAME], [NAME] | 18593377, 17656088, 17157549, 17957822, 19035650, 18616925 | pilot
35 | N-(quinolin-8-yl)benzenesulfonamides as Agents Capable of Down-Regulating NFκB Activity within Two Separate High-Throughput Screens of NFκB Activation | To identify specific compounds that inhibit signaling mediated by NFκB after stimulation of human umbilical vein endothelial cells (HUVEC) by TNFalpha | MH076344-01 | 1 | ML035 | 56492325 | 16759925 |  | 6,6-dioxide 4’-methyl-5H-quino[8,7-c][1,2]benzothiazene |  |  |  |  | 2007-12-21 00:00:00 | MLSCN Center at Columbia University | MLSCN Center at Columbia University | [NAME] | [NAME] | [NAME], Columbia | 19243939 | pilot
34 | Matrix Metalloproteinase-8 (MMP-8) Inhibitor | To identify selective chemical inhibitors of MMP-8 | MH078948-01 | 1 | ML034 | 842343 | 644601 |  |  |  | 2100 | MMP-13; [NAME] | Inactive | 2007-12-20 00:00:00 | The Scripps Research Institute Molecular Libraries Screening Center | The Scripps Research Institute Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], Florida Atlantic U. | 18364257, 18358729, 17949675 | pilot
33 | Matrix Metalloproteinase-13 (MMP-13) Inhibitor | To identify selective chemical inhibitors of MMP-13 | MH078948-01 | 2 | ML033 | 4257091 | 2047223 | 1931 | 2-[(4-chlorophenyl)methylsulfanyl]-1,5,6,7-tetrahydrocyclopenta[e]pyrimidin-4-one |  | 3400 | MMP-8; MMP-9 | Inactive | 2007-12-19 00:00:00 | The Scripps Research Institute Molecular Libraries Screening Center | The Scripps Research Institute Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], Florida Atlantic U. |  | pilot
32 |  |  |  |  | ML032 | 7974872 | 716696 | 1931 |  |  | 4300 |  |  | 2007-12-19 00:00:00 | The Scripps Research Institute Molecular Libraries Screening Center | The Scripps Research Institute Molecular Libraries Screening Center
31 | Sphingosine-1-phosphate receptor 2 (S1P2) Agonist | To identify specific agonists of the S1P2 receptor | MH076534-01 | 1 | ML031 | 46371210 | 2113511 |  |  |  | 720 | S1P1; S1P3 | Inactive | 2007-12-14 00:00:00 | The Scripps Research Institute Molecular Libraries Screening Center | The Scripps Research Institute Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], Scripps |  | pilot
30 | Phosphodiesterase 4 (PDE4) Inhibitor in the cyclic response element-binding proteins (CREB) pathway | Identify small molecules modulators of PDEs (specifically PDE4) which are likely to be strong regulators of CREB signaling. | MH079867-01 | 1 | [NAME] | 29217043 | 17757146 |  | 3-(2,5-dimethoxyphenyl)-6-(3,4-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |  | 30 | Selected PDE isoforms | Inactive against other isoforms | 2007-12-10 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], NIH/NHLBI | 18243697, 19464886 | pilot
29 | Chemical inhibitors of antigen receptor-induced NF-κB | To identify compounds that selectively inhibit one of the several known pathways that lead to NF-kB activation in mammalian cells. | MH077633-01 | 1 | ML029 | 17450324 | 2858522 |  |  |  | 70 | NFkB by TNF induction; NLR agonists; [NAME]; cIAP/MALT | all > 100 | 2007-12-10 00:00:00 | San Diego Center for Chemical Genomics | San Diego Center for Chemical Genomics | [NAME] | [NAME] | [NAME], [NAME] |  | pilot
28 | Tissue-nonspecific [NAME] (TNAP) | To identify novel highly potent and selective inhibitors of TNAP which to date have not been available. | MH077602-01 | 1 | ML028 | 26514170 | 2931238 |  |  |  | 193 | PLAP-L (690); IAP (1017) | PLAP-L >100; IAP >100 | 2007-12-08 00:00:00 | San Diego Center for Chemical Genomics | San Diego Center for Chemical Genomics | [NAME] | [NAME] | [NAME], [NAME] | 19556612, 19038545 | pilot
27 | High Throughput Screening Campaign to Identify Inhibitors of MMP-8 | To identify selective exosite/active site inhibitors of A [NAME] and metalloproteinase with thrombospondin motifs-4 (ADAMTS-4) | MH078948-01 | 1 | ML027 | 24278620 | 667639 |  |  |  |  |  |  | 2007-12-07 00:00:00 | The Scripps Research Institute Molecular Libraries Screening Center | The Scripps Research Institute Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], Florida Atlantic U. |  | pilot
26 | AmpC beta-lactamase Non-Covalent Inhibitor | To identify novel inhibitors (both covalent and non-covalent) of the AmpC B-lactamase enzyme class. | MH079825-01 | 1 | ML026 | 26740854 | 16752640 |  | 2-(1-carboxy-2-(naphthalen-1-yl)ethyl)-1,3-dioxoisoindoline-5-carboxylic acid |  | 8000 |  |  | 2007-12-06 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], UCSF | 17447748, 18333608 | pilot
25 | AmpC beta-lactamase Covalent Inhibitor | To identify novel inhibitors (both covalent and non-covalent) of the AmpC B-lactamase enzyme class. | MH079825-01 | 1 | ML025 | 864201 | 665449 |  | tert-butyl 2-(5-(2,4-dichlorobenzylsulfonyl)-1,3,4-oxadiazol-2-yl)ethylcarbamate |  | 66 | Cruzain; [NAME]; Malate Dehydrogenase | 410 ; <1 ;.600 | 2007-12-06 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], UCSF |  | pilot
24 | Inhibitors of the NS2B-NS3 Proteinase of West Nile Virus | Identify drug-like small molecule inhibitors of the NS3 West Nile virus protease by high throughput screening of chemical libraries. | MH077601-01 | 1 | ML024 | 852843 | 655490 |  | [5-amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] benzoate |  | 183 | [NAME] |  | 2007-12-05 00:00:00 | University of Pittsburgh Molecular Screening Center | University of Pittsburgh Molecular Screening Center | [NAME] | [NAME] | [NAME], Burnham | 18181690 | pilot
23 | Human Cathepsin L Inhibitor | To perform a high throughput screen of the NIH Molecular Libraries Small Molecule Repository (MLSMR) to identify novel, potent, and selective inhibitors of human [NAME] | MH076406-01 | 1 | ML023 | 26681509 | 16725315 |  |  |  | 56 | Cathepsin B | 45 | 2007-12-05 00:00:00 | Penn Center for Molecular Discovery | Penn Center for Molecular Discovery | [NAME] | [NAME] | [NAME], [NAME] | 18403718, 18598021, 18060772, 18499453 | pilot
22 | 12-kDa FK506-binding protein (FKBP12) Activator | Identify novel chemical probes that target FKBP12 | MH078942-01 | 1 | ML022 | 26679186 | 16725062 |  | 2-(4-Isopropylphenylthio)-1-morpholinoethanone |  | 200 (Kd) | T-Cell activation (immunosupression) | >100 | 2007-11-01 00:00:00 | San Diego Center for Chemical Genomics | San Diego Center for Chemical Genomics | [NAME] | [NAME] | [NAME], Burnham | 18038971 | pilot
21 | Toll-Like Receptor 4-MyD88 Signaling Inhibitor | To identify inhibitors of TLR4 signaling | MH081265-01 | 1 | ML021 | 26543390 | 5716367 | 1953 |  |  | 370 | Beta-lactamase | Inactive | 2007-10-29 00:00:00 | The Scripps Research Institute Molecular Libraries Screening Center | The Scripps Research Institute Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], Scripps | 17615244 | pilot
20 | Measles Virus Inhibitor | 1. To identify novel MV-specific probes through high throughput screening (HTS) of the MLSCN library. 2. To counterscreen putative probes in independent assays and rank confirmed hits by active concentration and cytotoxicit. 3. To determine the specificity of selected probes and assess their mechanisms of antiviral activity | MH080836-01 | 1 | ML020 | 24769845 | 16122506 |  | 2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide |  | 3.8 | cell toxicity | >16,500 | 2007-10-26 00:00:00 | Emory Chemical Biology Discovery Center | Emory Chemical Biology Discovery Center | [NAME] | [NAME] | [NAME], Emory | 18529043, 17643302, 17470652 | pilot
19 | High-Throughput Screening Campaign to Identify Inhibitors of SF-1 | To identify selective cell-permeable inhibitors of the steroidogenic factor 1 | MH077624-01 | 1 | ML019 | 46499798 | 4076092 | 1844 |  |  | 603 | RAR-related Orphan Receptor A (RORA) | Inactive | 2007-10-22 00:00:00 | The Scripps Research Institute Molecular Libraries Screening Center | The Scripps Research Institute Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], Orphagen Pharmaceuticals |  | pilot
18 | High-Throughput Screening Campaign to Identify Inhibitors of SF-1 | To identify modular, chemically tractable, selective, and cell-permeable inverse agonists of the nuclear receptor RAR. | MH077624-01 | 1 | ML018 | 46499846 | 23640021 |  |  |  | 195 | RAR-related Orphan Receptor A (RORA) | Inactive | 2007-10-22 00:00:00 | The Scripps Research Institute Molecular Libraries Screening Center | The Scripps Research Institute Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], Orphagen Pharmaceuticals |  | pilot
17 | High-Throughput Screening Campaign to Identify Inhibitors of SF-1 | To identify selective cell-permeable inhibitors of the steroidogenic factor 1 (orphan nuclear receptor NR5A1) | MH077624-01 | 1 | ML017 | 46499821 | 4131581 | 1844 |  |  | 200 | RAR-related Orphan Receptor A (RORA) | Inactive | 2007-10-22 00:00:00 | The Scripps Research Institute Molecular Libraries Screening Center | The Scripps Research Institute Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], Orphagen Pharmaceuticals | 18334597, 18374567 | pilot
16 | HIV-1 Reverse Transcriptase Associated Ribonuclease H (Rnase H) Inhibitor | To identify small-molecule inhibitors of HIV reverse transcriptase associated ribonuclease H (HIV RT RNH). | MH077605-01 | 1 | ML016 | 863762 | 665013 |  | 3-[3-(benzoyl)-6-chloro-4,5-dihydroxy-1-benzofuran-7-yl]pentane-2,4-dione |  | 31 |  |  | 2007-10-20 00:00:00 | University of Pittsburgh Molecular Screening Center | University of Pittsburgh Molecular Screening Center | [NAME] | [NAME] | [NAME], Pittsburgh |  | pilot
15 | Zebrafish Angiogenesis Inhibitor | To discover novel angiogenesis inhibitors using live zebrafish embryos. | MH077629-01 | 1 | ML015 | 17405181 | 5326739 |  | Indirubin-3’-monoxime |  | 310 | cell toxicity (HUVECs) | 28 | 2007-09-20 00:00:00 | Emory Chemical Biology Discovery Center | Emory Chemical Biology Discovery Center | [NAME] | [NAME] | [NAME], Zygogen Inc | 18056466 | pilot
14 | Rho Kinase II Inhibitor | To find potent inhibitors for Rho-Kinase. “[NAME]”, an ATP depletion assay was used to find inhibitors that are specific to the ATP binding site. |  | 1 | ML014 | 26657388 | 16681731 |  | 1-(4-(1H-indazol-5-ylamino)piperidin-1-yl)-2-(4-bromophenyl)-2-hydroxyethanone with one equivalent of trifluoro acetic acid |  | 80 | PKA | Inactive | 2007-08-23 00:00:00 | The Scripps Research Institute Molecular Libraries Screening Center | The Scripps Research Institute Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], Scripps | 17368019, 18227223 | pilot
13 | CREB signaling pathway: CRE potentiator | Identify small molecular potentiators of the CREB pathway for memory and cognitive disorders using quantitative high throughput screening (qHTS). | MH079867-01 | 1 | ML013 | 863038 | 664279 |  | 4-((1H-benzo[d]imidazol-2-yl)methylthio)-2-methylbenzofuro[3,2-d]pyrimidine |  | 79 |  |  | 2007-06-05 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], NIH/NHLBI | 18243697, 19936037, 13020106, 19196967 | pilot
12 | Allosteric Modulators of the M1 Muscarinic Receptor - Antagonist | To identify small molecule modulators of M1 muscarinic receptor that are cell permeable, exhibit micromolar potency, and show greater than 10 fold selectivity over other muscarinic family members [NAME], M3, M4 and M5. | MH077606-01 | 1 | ML012 | 4248988 | 3242997 |  |  |  | 1200 |  |  | 2007-06-01 00:00:00 | [NAME] for GPCRs, Ion Channels & Transporters | [NAME] for GPCRs, Ion Channels & Transporters | [NAME] | [NAME] | [NAME], [NAME] | 19407080, 18178088 | pilot
11 | Molecule Modulators: Voltage-Dependent Potassium (RMI) | To identify small molecule modulators of [NAME] that are cell permeable and have a Km sufficient for in vitro cellular physiology assays. | MH076402-01 | 1 | ML011 | 856002 | 3194 |  | ebselen |  | 30 |  |  | 2007-06-01 00:00:00 | [NAME] for GPCRs, Ion Channels & Transporters | [NAME] for GPCRs, Ion Channels & Transporters | [NAME] | [NAME] | [NAME], Columbia |  | pilot
10 | Glucocerebrosidase Inhibitor (Chemotype 3) | Identification of inhibitors of glucocerebrosidase that may function as molecular chaperones to restore glucocerebrosidase activity. | MH078932-01 | 1 | ML010 | 49645689 | 17757274 |  | 2-(4-(2-tert-butoxyphenylamino)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-ylamino)ethanol |  | 330 | [NAME] alpha glucosidase; Human alpha galactosidase | Inactive @ 77 uM | 2007-02-01 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], NCGC | 17827006, 17670938 | pilot
9 | Glucocerebrosidase Inhibitor (Chemotype 2) | Identification of inhibitors of glucocerebrosidase that may function as molecular chaperones to restore glucocerebrosidase activity. | MH078932-01 | 1 | ML009 | 4264637 | 2210290 |  | N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(phenylsulfonamido)benzamide |  | 74 | [NAME] alpha glucosidase; Human alpha galactosidase | Inactive @ 77 uM | 2007-02-01 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], NCGC |  | pilot
8 | Glucocerebrosidase Inhibitor (Chemotype 1) | Identification of inhibitors of glucocerebrosidase that may function as molecular chaperones to restore glucocerebrosidase activity. | MH078932-01 | 1 | ML008 | 26753329 | 5067281 |  | N-(4-methyl-2-morpholinoquinolin-6-yl) cyclohexanecarboxamide |  | 35 | [NAME] alpha glucosidase; Human alpha galactosidase | Inactive @ 77 uM | 2007-02-01 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], NCGC |  | pilot
7 | Sphingosine-1-phosphate receptor 1 (S1P1) Agonist | Identify compounds which provide insight into the molecular mechanism of S1P biological function. | MH076534-01 | 1 | [NAME] | 4258673 | 976135 |  |  |  | 226 | S1P3 | Inactive | 2007-02-01 00:00:00 | The Scripps Research Institute Molecular Libraries Screening Center | The Scripps Research Institute Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], Scripps | 15975516, 16342326, 18091583 | pilot
6 | Sphingosine-1-phosphate receptor 3 (S1P3) Agonist | Identify compounds which provide insight into the molecular mechanism of S1P biological function. | MH076534-01 | 4 | ML006 | 7977380 | 2842253 |  |  | S1P3 | 6630 | S1P1 | Inactive | 2007-02-01 00:00:00 | The Scripps Research Institute Molecular Libraries Screening Center | The Scripps Research Institute Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], Scripps | 18590333 | pilot
5 |  |  |  |  | ML005 | 864271 | 665518 |  |  | S1P3 | 4280 | S1P1 |  | 2007-02-01 00:00:00 | The Scripps Research Institute Molecular Libraries Screening Center | The Scripps Research Institute Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], Scripps | 18590333
4 |  |  |  |  | ML004 | 7967985 | 5309153 |  |  | S1P3 | 2700 | S1P1 |  | 2007-02-01 00:00:00 | The Scripps Research Institute Molecular Libraries Screening Center | The Scripps Research Institute Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], Scripps | 18590333
3 |  |  |  |  | ML003 | 3714904 | 2321431 |  |  | S1P3 | 2340 | S1P1 |  | 2007-02-01 00:00:00 | The Scripps Research Institute Molecular Libraries Screening Center | The Scripps Research Institute Molecular Libraries Screening Center | [NAME] | [NAME] | [NAME], Scripps | 18590333
2 | Inhibitor of Schistosoma Mansoni Redox Cascade | Since no parasite-specific inhibitors of Prx are currently available, our overall goals can be summarized as: The identification of inhibitors of Schistosoma mansoni peroxiredoxins by conducting a high throughput screen of the Small Molecule Repository of the Molecular Libraries Screening Centers Network. | MH076449-01 | 1 | ML002 | 11111612 | 1756 |  | 4-phenyl-1,2,5-oxadiazole-3-carbonitrile-2-oxide |  | 25 | human GR | Inactive @ 50 uM | 2006-12-20 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], Illinois State U. | 18345010, 18235848 | pilot
1 | Inhibitor of Bacillus stearothermophilus Pyruvate Kinase | The research has two specific aims: 1) to engineer inhibitors for bacterial pyruvate kinases as leads for anti-infective agents. 2) To use structure-based, analogue synthesis and medicinal chemical principles to identify inhibitors of therapeutically useful PKs from infectious pathogens and other species including human where inhibitors have been considerably more difficult to obtain. |  | 1 | ML001 | 862236 | 663459 |  | 2-(4-(4-chlorobenzyloxy)phenyl)-5-(dimethylamino)oxazole-4-carbonitrile |  | 250 | Human PK; Leishmania Mexicana PK | Inactive at 57uM | 2006-10-01 00:00:00 | NIH Chemical Genomics Center(NCGC) | NIH Chemical Genomics Center(NCGC) | [NAME] | [NAME] | [NAME], NCGC | 16864780 | pilot