cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.25345/c5r30c
title: MassIVE MSV000083090 - PLOS ONE
title: To identify the molecular changes underlying this decreased ability for MECP2-mutant NPCs to differentiate into glia, we applied stable isotope labeling by amino acids in cell culture (SILAC) with quantitative multidimensional protein identification technology (MudPIT) mass spectrometry (MS)-based shotgun proteomics. By metabolically incorporating heavy isotopically labeled amino acids into the synthesized proteins, one culture produces a heavy version of each protein, allowing the mass spectrometer to discriminate between heavy labeled proteins from one culture and unlabeled light proteins from a second culture. By mixing the light and heavy extracts in a 1:1 ratio, we quantitatively compared their proteomes. In order to narrow our focus to only the proteins most perturbed in both MECP2 mutant populations, we used two distinct analytical paradigms, both of which involved determining ratios of light to heavy proteins to calculate the Mutant / WT ratio. In the Ratio of Ratios (RoR) paradigm, quantified proteins are normalized using a common internal standard that can accurately correct for incomplete labeling and other instrument-based biases. In the Label Swap (LS) paradigm, we generated two ratios for each protein from four samples. In this way, we focused on those proteins that were significantly altered in both MECP2-mutant son / paternal control comparisons.
DOI: 10.25345/c5vs3b
title: MassIVE MSV000083089 - X. budapestensis compound characterization
title: Characterization of active compounds from x. budapestensis
DOI: 10.7270/q20g3hg2
title: BindingDB Entry 3058: Synthesis and evaluation of pyrido-thieno-pyrimidines as potent and selective Cdc7 kinase inhibitors.

description: Small molecule binding data for protein Cdc7 Kinase, Uniprot Q9UBU7
DOI: 10.7270/q21c1v3s
title: BindingDB Entry 1504: Design and Crystal Structures of Protein Kinase B-Selective Inhibitors in Complex with Protein Kinase A and Mutants.

description: Small molecule binding data for protein AKT/p21CIP1 and cAMP-Dependent Protein Kinase (PKA), Uniprot P00517 and P31749
DOI: 10.7270/q2319t98
title: BindingDB Entry 4099: Discovery of novel allosteric modulators of the M1 muscarinic receptor: Agonist NMS competition at M2

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M2, Uniprot P08172
DOI: 10.7270/q247485b
title: BindingDB Entry 3056: Cdc7 kinase inhibitors: pyrrolopyridinones as potential antitumor agents. 1. Synthesis and structure-activity relationships.

description: Small molecule binding data for protein Cdc7 Kinase, Uniprot Q9UBU7
DOI: 10.7270/q2542kt3
title: BindingDB Entry 1498: Protease Inhibitors. Part 8: Synthesis of Potent Clostridium histolyticum Collagenase Inhibitors Incorporating Sulfonylated L-Alanine Hydroxamate Moieties.

description: Small molecule binding data for protein Collagenase (ChC), Uniprot Q9S0X0
DOI: 10.7270/q26t0k17
title: BindingDB Entry 4098: Discovery of novel allosteric modulators of the M1 muscarinic receptor: Agonist NMS competition at M2

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M2, Uniprot P08172
DOI: 10.7270/q27w69fk
title: BindingDB Entry 1529: Structural analysis of inhibitor binding to human carbonic anhydrase II.

description: Small molecule binding data for protein Carbonic anhydrase 2, Uniprot P00918
DOI: 10.7270/q27w69jx
title: BindingDB Entry 3054: First Cdc7 kinase inhibitors: pyrrolopyridinones as potent and orally active antitumor agents. 2. Lead discovery.

description: Small molecule binding data for protein Cdc7 Kinase and Cyclin-Dependent Kinase 9 (CDK9), Uniprot O60563, P50750, and Q9UBU7
DOI: 10.7270/q28w3bjh
title: BindingDB Entry 1492: 2-[3-[2-[(2S)-2-Cyano-1-pyrrolidinyl]-2-oxoethylamino]-3-methyl-1-oxobutyl]-1,2,3,4-tetrahydroisoquinoline: A Potent, Selective, and Orally Bioavailable Dipeptide-Derived Inhibitor of Dipeptidyl Peptidase IV

description: Small molecule binding data for protein Dipeptidyl peptidase 2 (DPP II), Dipeptidyl peptidase 4 (DPP4), and Dipeptidyl peptidase VIII, Uniprot P27487, Q6V1X1, and Q9UHL4
DOI: 10.7270/q2bk19rj
title: BindingDB Entry 4097: Discovery of novel allosteric modulators of the M1 muscarinic receptor: Agonist NMS competition at M3

description: Small molecule binding data for protein Muscarinic acetylcholine receptor, Uniprot P20309
DOI: 10.7270/q2cn7276
title: BindingDB Entry 3053: Discovery of 1-[9-(4-chlorophenyl)-8-(2-chlorophenyl)-9H-purin-6-yl]-4-ethylaminopiperidine-4-carboxylic acid amide hydrochloride (CP-945,598), a novel, potent, and selective cannabinoid type 1 receptor antagonist.

description: Small molecule binding data for protein Cannabinoid receptor and Cannabinoid receptor 1, Uniprot P20272 and P21554
DOI: 10.7270/q2fb51bw
title: BindingDB Entry 4104: Dose respone, multiplexed high-throughput screen for small molecule regulators of RGS family protein interactions, specifically RGS16-Galphao.

description: Small molecule binding data for protein regulator of G-protein signalling 16, Uniprot O15492
DOI: 10.7270/q2gb22g8
title: BindingDB Entry 4096: Discovery of novel allosteric modulators of the M1 muscarinic receptor: Agonist NMS competition at M4

description: Small molecule binding data for protein cholinergic receptor, muscarinic 4, Uniprot P08485
DOI: 10.7270/q2hd7sxp
title: BindingDB Entry 1527: Seco-prolinenitrile inhibitors of dipeptidyl peptidase IV define minimal pharmacophore requirements at P1

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4), Uniprot P27487
DOI: 10.7270/q2hd7t00
title: BindingDB Entry 3050: Discovery and structure-activity relationship studies of indole derivatives as liver X receptor (LXR) agonists.

description: Small molecule binding data for protein Liver X receptor (LXR alpha AND LXR beta), Uniprot P55055 and Q13133
DOI: 10.7270/q2k35s27
title: BindingDB Entry 4103: Dose response, multiplexed high-throughput screen for small molecule regulators of RGS family protein interactions, specifically RGS19-Galphao.

description: Small molecule binding data for protein G protein signalling regulator 19, Uniprot P49795
DOI: 10.7270/q2n58jmz
title: BindingDB Entry 1517: Synthesis and structure-activity relationships of beta- and alpha-piperidine sulfone hydroxamic acid matrix metalloproteinase inhibitors with oral antitumor efficacy.

description: Small molecule binding data for protein Collagenase, Matrix Metalloproteinase-8 (MMP-8), Matrix metalloproteinase-1 (MMP1), and Stromelysin-1, Uniprot P03956, P08253, P08254, P14780, P22894, and P45452
DOI: 10.7270/q2n58jq9
title: BindingDB Entry 3048: 2-Aryl-N-acyl indole derivatives as liver X receptor (LXR) agonists.

description: Small molecule binding data for protein Liver X receptor (LXR alpha AND LXR beta), Uniprot P55055 and Q13133
DOI: 10.7270/q2p26wcg
title: BindingDB Entry 1482: Crystal Structures of DPP-IV (CD26) from Rat Kidney Exhibit Flexible Accommodation of Peptidase-Selective Inhibitors.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4), Dipeptidyl peptidase IV, and Dipeptidyl peptidase VIII, Uniprot P14740, P27487, and Q6V1X1
DOI: 10.7270/q2pv6hs7
title: BindingDB Entry 4102: Dose response, multiplexed high-throughput screen for small molecule regulators of RGS family protein interactions, specifically RGS7-Galphao.

description: Small molecule binding data for protein RGS7, Uniprot P49802
DOI: 10.7270/q2qv3jz2
title: BindingDB Entry 4094: Identification of Novel Modulators of Cl- dependent Transport Process via HTS: Dose-Dependent Assay 2 with KCC2

description: Small molecule binding data for protein electroneutral potassium-chloride cotransporter KCC2, Uniprot Q9H2X9
DOI: 10.7270/q2rx999x
title: BindingDB Entry 1507: Protease Inhibitors: Synthesis of Matrix Metalloproteinase and Bacterial Collagenase Inhibitors Incorporating 5-Amino-2-mercapto-1,3,4-thiadiazole Zinc Binding Functions

description: Small molecule binding data for protein Collagenase, Collagenase (ChC), Matrix Metalloproteinase-8 (MMP-8), and Matrix metalloproteinase-1 (MMP1), Uniprot P03956, P08253, P14780, P22894, and Q9S0X0
DOI: 10.7270/q2tm78jd
title: BindingDB Entry 4101: Dose respone, multiplexed high-throughput screen for small molecule regulators of RGS family protein interactions, specifically RGS8-Galphao.

description: Small molecule binding data for protein Regulator of G-protein signaling 8, Uniprot P57771
DOI: 10.7270/q2vq311m
title: BindingDB Entry 3059: 5-(1H-Benzimidazol-1-yl)-3-alkoxy-2-thiophenecarbonitriles as potent, selective, inhibitors of IKK-epsilon kinase.

description: Small molecule binding data for protein I-kappa-B Kinase 1 (IKK-alpha), IKK epsilon/TBK1, Inhibitor of NF-kappa-B kinase (IKK), and Serine/threonine-protein kinase PLK1, Uniprot O14920, O15111, P53350, and Q14164
DOI: 10.7270/q2wm1bnx
title: BindingDB Entry 1505: Structure-Based Optimization of Novel Azepane Derivatives as PKB Inhibitors.

description: Small molecule binding data for protein AKT/p21CIP1 and cAMP-Dependent Protein Kinase (PKA), Uniprot P00517 and P31749
DOI: 10.7270/q2wq024j
title: BindingDB Entry 3045: Pyrazolo[1,5-a]-1,3,5-triazine as a purine bioisostere: access to potent cyclin-dependent kinase inhibitor (R)-roscovitine analogue.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 2 (CDK2), Cyclin-Dependent Kinase 5 (CDK5), Cyclin-Dependent Kinase 7 (CDK7), and Cyclin-Dependent Kinase 9 (CDK9), Uniprot O60563, P15206, P20248, P24941, P50613, P50750, P51946, and Q00535
DOI: 10.7270/q2zc8184
title: BindingDB Entry 4100: Profiling Assay to determine GST-GSH interactions in multiplex bead-based assays

description: Small molecule binding data for protein glutathione S-transferase, Uniprot P09488
DOI: 10.25345/c5730q
title: MassIVE MSV000083094 - GNPS - ONR Primary Bile acids
title: Metabolic study of various Bile acids. Data was generated on a Thermo Q Exactive and C18 RP UHPLC. Positive polarity acquisition on LC-MS/MS.
DOI: 10.25345/c5bs3p
title: MassIVE MSV000083093 - Brain Region-Specific Mouse Brain Proteoforms
title: Multidimensional Top-Down Proteomics of Brain Region-Specific Mouse Brain Proteoforms Responsive to Cocaine and Estradiol
DOI: 10.25345/c5gk5m
title: MassIVE MSV000083092 - Mouse brain proteoforms
title: Multidimensional Top-Down Proteomics of Brain Region-Specific Mouse Brain Proteoforms Responsive to Cocaine and Estradiol
DOI: 10.25345/c5m88w
title: MassIVE MSV000083091 - GNPS-Ovarian Cancer Project Negative Mode
title: Metabolites were extracted from vaginal swabs using 50% Ethanol and re-suspended in 50% Methanol. Polar C-18 column used for separation. Data dependent MS/MS acquisition in negative mode.
DOI: 10.25345/c5p30r
title: MassIVE MSV000083098 - GNPS - South African Stromatolites  03/18 Scoenmakerskop
title: Four subsamples of stromatolites from Schoenmakerskop pool (Flags 1, 3, 7,10), plus Combiflash C18 chromatographic fractions from one bulk sample extract.
DOI: 10.25345/c5sw2c
title: MassIVE MSV000083097 - Streptomyces sp. CB0028 and Escovopsis sp. CBACRO424
title: Fungus-growing ants microbial interaction of Streptomyces sp. and Escovopsis sp. through molecular networking and MALDI imaging
DOI: 10.25345/c5xk5n
title: MassIVE MSV000083096 - 13_honeys_proteomics
title: 13 authentic honeys (H01-13) were analyzed. Each sample cleaned using gel filtration technique was analyzed in 3 replicates (a, b, c) using the label-free proteomic approach by employing nanoliquid chromatography (nLC) coupled with the Orbitrap FusionTM Tribrid TM mass spectrometer (MS/MS).
DOI: 10.5285/33592524dd9a4b2f897edbddb69b3381
title: Weighing trees with lasers project: terrestrial laser scanner data; French Guiana, Cayenne, Nourague Nature Reserve plot site

description: This dataset is comprised of raw data from the NERC-funded, full waveform terrestrial laser scanner (TLS) deployed at sites on three continents, multiple countries and plot locations which, have been re-surveyed at different times. This plot site was situated in French Guiana, Cayenne, Nourague Nautre Reserve. The plot site had the following  geographical features; Moisture type: Moist,  Elevation: Lowland, Edaphic Type: Terra Firma, Substrate:Mixed, Geology: Pre-Quaternary,Forrestry: Old-growth.

The project scanned all trees in the  permanent sample plot (PSP) spanning a range of soil fertility and productivity gradients (24 x 1 ha PSPs in total).  The aim of the weighing trees with lasers project is to test if current allometric relationships are invariant across continents, or whether they differ significantly, and require continental level models; quantify the impact of assumptions of tree shape and wood density on tropical forest allometry; test hypotheses relating to pan-tropical differences in observed AGB (Above Ground Biomass) from satellite and field data. It also aims to apply new knowledge to assessing retrieval accuracy of forthcoming ESA BIOMASS and NASA GEDI (Global Ecosystem Dynamics Investigation Lidar) missions and providing calibration datasets; In addition to testing the capability of low-cost instruments to augment TLS data including: UAVs (unmanned aerial vehicle) for mapping cover and canopy height; low-cost lidar instruments to assess biomass rapidly, at lower accuracy.
DOI: 10.7270/q20c4t19
title: BindingDB Entry 1539: Novel Small-Molecule Inhibitors of Anthrax Lethal Factor Identified by High-Throughput Screening.

description: Small molecule binding data for protein Anthrax Lethal Factor (LF), Uniprot P15917
DOI: 10.7270/q2251gkr
title: BindingDB Entry 4107: Discovery of a Highly Selective in vitro and in vivo M4 Positive Allosteric Modulator(PAM): Analog Potency

description: Small molecule binding data for protein cholinergic receptor, muscarinic 4, Uniprot P08485
DOI: 10.7270/q237772d
title: BindingDB Entry 3068: Specific Targeting of Highly Conserved Residues in the HIV-1 Reverse Transcriptase Primer Grip Region. 2. Stereoselective Interaction to Overcome the Effects of Drug Resistant Mutations.

description: Small molecule binding data for protein HIV-1 Reverse Transcriptase, HIV-1 Reverse Transcriptase Mutant (K103N), HIV-1 Reverse Transcriptase Mutant (L100I), HIV-1 Reverse Transcriptase Mutant (V106A), HIV-1 Reverse Transcriptase Mutant (V179D), HIV-1 Reverse Transcriptase Mutant (Y181I), and HIV-1 Reverse Transcriptase Mutant (Y188L), Uniprot P04585
DOI: 10.7270/q2445jq5
title: BindingDB Entry 1531: Dipeptidyl peptidase IV inhibitors derived from beta-aminoacylpiperidines bearing a fused thiazole, oxazole, isoxazole, or pyrazole.

description: Small molecule binding data for protein Dipeptidyl peptidase 2 (DPP II), Dipeptidyl peptidase 4 (DPP4), Dipeptidyl peptidase IX, and Dipeptidyl peptidase VIII, Uniprot P27487, Q6V1X1, Q86TI2, and Q9UHL4
DOI: 10.7270/q25t3hxw
title: BindingDB Entry 4106: Luminescence-based dose response biochemical high throughput screening assay for inhibitors of the Heat Shock Protein 90 (HSP90)

description: Small molecule binding data for protein Heat shock protein HSP90, Uniprot P07900
DOI: 10.7270/q26w9896
title: BindingDB Entry 1547: Structure-Based Design of Caspase-1 Inhibitor Containing a Diphenyl Ether Sulfonamide.

description: Small molecule binding data for protein Caspase-1, Uniprot P29466
DOI: 10.7270/q2707zrw
title: BindingDB Entry 3067: Novel Indazole Non-Nucleoside Reverse Transcriptase Inhibitors Using Molecular Hybridization Based on Crystallographic Overlays

description: Small molecule binding data for protein HIV-1 Reverse Transcriptase, HIV-1 Reverse Transcriptase Mutant (K103N), and HIV-1 Reverse Transcriptase Mutant (Y181C), Uniprot P04585
DOI: 10.7270/q29k48nm
title: BindingDB Entry 4105: QFRET-based dose response biochemical high throughput screening assay to identify inhibitors of the SARS coronavirus 3C-like Protease (3CLPro)

description: Small molecule binding data for protein 3C-like protease
DOI: 10.7270/q2bp014t
title: BindingDB Entry 3065: 4-[3-(4-cyclopropanecarbonylpiperazine-1-carbonyl)-4-fluorobenzyl]-2H-phthalazin-1-one: a novel bioavailable inhibitor of poly(ADP-ribose) polymerase-1.

description: Small molecule binding data for protein Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a), Poly (ADP-ribose) Polymerase-2 (PARP-2), and poly-ADP-ribose polymerase 1 (PARP1), Uniprot O88554, O95271, and P09874
DOI: 10.7270/q2cn7259
title: BindingDB Entry 1528: Diprolyl nitriles as potent dipeptidyl peptidase IV inhibitors.

description: Small molecule binding data for protein Dipeptidyl peptidase IV, Uniprot P22411
DOI: 10.7270/q2gf0rrd
title: BindingDB Entry 1545: Synthesis and Evaluation of New Antimalarial Phenylurenyl Chalcone Derivatives.

description: Small molecule binding data for protein Falcipain-2
DOI: 10.7270/q2gf0rt9
title: BindingDB Entry 3064: Discovery of potent poly(ADP-ribose) polymerase-1 inhibitors from the modification of indeno[1,2-c]isoquinolinone.

description: Small molecule binding data for protein poly-ADP-ribose polymerase 1 (PARP1), Uniprot P09874
DOI: 10.7270/q2j38qxf
title: BindingDB Entry 4111: SAR assay for compounds inhibiting TNAP in the absence of phosphate acceptor performed in a luminescent assay

description: Small molecule binding data for protein Alkaline phosphatase, tissue-nonspecific isozyme, Uniprot P05186
DOI: 10.7270/q2m61hhk
title: BindingDB Entry 1542: 4-Arylazo-3,5-diamino-1H-pyrazole CDK Inhibitors: SAR Study, Crystal Structure in Complex with CDK2, Selectivity, and Cellular Effects.

description: Small molecule binding data for protein CDK2/CycE, Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 2 (CDK2), Cyclin-Dependent Kinase 4 (CDK4), Cyclin-Dependent Kinase 7 (CDK7), and Cyclin-Dependent Kinase 9 (CDK9), Uniprot O60563, P06493, P11802, P14635, P20248, P24385, P24864, P24941, P50613, P50750, and P51946
DOI: 10.7270/q2m61hkg
title: BindingDB Entry 3063: Imidazoquinolinone, imidazopyridine, and isoquinolindione derivatives as novel and potent inhibitors of the poly(ADP-ribose) polymerase (PARP): a comparison with standard PARP inhibitors.

description: Small molecule binding data for protein Poly (ADP-ribose) Polymerase-2 (PARP-2) and poly-ADP-ribose polymerase 1 (PARP1), Uniprot O88554 and P09874
DOI: 10.7270/q2nv9gnv
title: BindingDB Entry 4110: Discovery of a Highly Selective in vitro and in vivo M4 Positive Allosteric Modulator (PAM): NMS Competition at rM4

description: Small molecule binding data for protein cholinergic receptor, muscarinic 4, Uniprot P08485
DOI: 10.7270/q2pz5742
title: BindingDB Entry 3073: Discovery of 2-(alpha-methylbenzylamino) pyrazines as potent Type II inhibitors of FMS.

description: Small molecule binding data for protein Macrophage colony stimulating factor receptor, Uniprot P07333
DOI: 10.7270/q2qz286j
title: BindingDB Entry 1541: Fluoroaromatic-Fluoroaromatic Interactions between Inhibitors Bound in the Crystal Lattice of Human Carbonic Anhydrase II.

description: Small molecule binding data for protein Carbonic Anhydrase II Mutant (F131V)
DOI: 10.7270/q2qz289w
title: BindingDB Entry 3060: The discovery of 2-amino-3,5-diarylbenzamide inhibitors of IKK-alpha and IKK-beta kinases.

description: Small molecule binding data for protein I-kappa-B Kinase 1 (IKK-alpha), IKK epsilon/TBK1, and Inhibitor of NF-kappa-B kinase (IKK), Uniprot O14920, O15111, and Q14164
DOI: 10.7270/q2sn07c4
title: BindingDB Entry 4109: Discovery of a Highly Selective in vitro and in vivo M4 Positive Allosteric Modulator (PAM): NMS Competition at rM4

description: Small molecule binding data for protein cholinergic receptor, muscarinic 4, Uniprot P08485
DOI: 10.7270/q2tq5zv0
title: BindingDB Entry 3072: Design of annulated pyrazoles as inhibitors of HIV-1 reverse transcriptase.

description: Small molecule binding data for protein HIV-1 Reverse Transcriptase and HIV-1 Reverse Transcriptase Mutant (103N/181C), Uniprot P04585
DOI: 10.7270/q2vq30wd
title: BindingDB Entry 1540: Selectively guanidinylated derivatives of neamine. Syntheses and inhibition of anthrax lethal factor protease.

description: Small molecule binding data for protein Anthrax Lethal Factor (LF), Uniprot P15917
DOI: 10.7270/q2xd103v
title: BindingDB Entry 4108: Discovery of a Highly Selective in vitro and in vivo M4 Positive Allosteric Modulator (PAM): Analog Dose Response with rM4

description: Small molecule binding data for protein cholinergic receptor, muscarinic 4, Uniprot P08485
DOI: 10.25345/c58w2q
title: MassIVE MSV000083102 - GNPS Kale
title: Kale samples run by maxis Bruker instrument for identification and dereplication based on library matches.
DOI: 10.25345/c5dk50
title: MassIVE MSV000083101 - GNPS Kale samples
title: Kale samples analysed by maxis Bruker instrument. The main purpose is a library match, dereplication and identification of analogous.
DOI: 10.25345/c5hc7m
title: MassIVE MSV000083104 - Annotation improvement and retroviral element discovery in the Chinese hamster genome using proteogenomics
title: This dataset is used to improve the Chinese hamster genome annotation
DOI: 10.25345/c5jc7x
title: MassIVE MSV000083099 - Pleurotus Pulmonarius exposed to Jatropha curcas
title: 1234567890 1234567890 1234567890 1234567890 1234567890 1234567890 1234567890
DOI: 10.25345/c5n30f
title: MassIVE MSV000083103 - Annotation improvement and retroviral element discovery in the Chinese hamster genome using proteogenomics
title: This datasets is used to improve Chinese hamster genome annotation using proteogenomics method.
DOI: 10.7270/q2154fgt
title: BindingDB Entry 4115: Luminescent HTS for small molecule inhibitors of MT1-MMP transcription

description: Small molecule binding data for protein matrix metalloproteinase 1
DOI: 10.7270/q22805zm
title: BindingDB Entry 3079: Anthranilimide based glycogen phosphorylase inhibitors for the treatment of type 2 diabetes. Part 3: X-ray crystallographic characterization, core and urea optimization and in vivo efficacy.

description: Small molecule binding data for protein Glycogen Phosphorylase (PYGL), Uniprot P06737
DOI: 10.7270/q2348hm7
title: BindingDB Entry 1548: Structural Insight into the Stereoselective Inhibition of MMP-8 by Enantiomeric Sulfonamide Phosphonates.

description: Small molecule binding data for protein Collagenase, Matrix Metalloproteinase-8 (MMP-8), and Stromelysin-1, Uniprot P08253, P08254, and P22894
DOI: 10.7270/q24x5667
title: BindingDB Entry 4114: HTS Dose response counterscreen for assays utilizing the enzyme, b-galactosidase

description: Small molecule binding data for protein Beta-galactosidase, Uniprot Q8VNN2
DOI: 10.7270/q25x275c
title: BindingDB Entry 1557: Carbonic Anhydrase Inhibitors: Synthesis and Inhibition of Cytosolic/Membrane-Associated Carbonic Anhydrase Isozymes I, II, and IX with Sulfonamides Incorporating Hydrazino Moieties.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot P00915, P00918, and Q16790
DOI: 10.7270/q2610xpz
title: BindingDB Entry 3077: Discovery of potent and selective PARP-1 and PARP-2 inhibitors: SBDD analysis via a combination of X-ray structural study and homology modeling.

description: Small molecule binding data for protein Poly (ADP-ribose) Polymerase-2 (PARP-2) and poly-ADP-ribose polymerase 1 (PARP1), Uniprot O88554 and P09874
DOI: 10.7270/q28k77h7
title: BindingDB Entry 4113: SAR VHR1 absorbance Assay for In Vitro dose response studies.

description: Small molecule binding data for protein Dual specificity protein phosphatase (VHR), Uniprot P51452
DOI: 10.7270/q29p2zvv
title: BindingDB Entry 1555: 3-(Indol-2-yl)indazoles as Chek1 kinase inhibitors: Optimization of potency and selectivity via substitution at C6.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 7 (CDK7) and Serine/threonine-protein kinase Chk1, Uniprot O14757, P50613, and P51946
DOI: 10.7270/q29s1pcx
title: BindingDB Entry 3076: Identification of ring-fused pyrazolo pyridin-2-ones as novel poly(ADP-ribose)polymerase-1 inhibitors.

description: Small molecule binding data for protein poly-ADP-ribose polymerase 1 (PARP1), Uniprot P09874