cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2bp011g
title: BindingDB Entry 1546: Structure-Based Design of Nonpeptide Inhibitors of Interleukin-1beta Converting Enzyme (ICE, Caspase-1).

description: Small molecule binding data for protein Caspase-1, Uniprot P29466
DOI: 10.7270/q2db807z
title: BindingDB Entry 4112: SAR VHR1 Fluorescent Assay for In Vitro dose response studies

description: Small molecule binding data for protein Dual specificity protein phosphatase (VHR), Uniprot P51452
DOI: 10.7270/q2ff3qkk
title: BindingDB Entry 1554: Potent and Selective Aurora Inhibitors Identified by the Expansion of a Novel Scaffold for Protein Kinase Inhibition.

description: Small molecule binding data for protein Serine/threonine-protein kinase Aurora, Uniprot O14965
DOI: 10.7270/q2ff3qpx
title: BindingDB Entry 3075: Novel alkoxybenzamide inhibitors of poly(ADP-ribose) polymerase.

description: Small molecule binding data for protein poly-ADP-ribose polymerase 1 (PARP1), Uniprot P09874
DOI: 10.7270/q2h41pvh
title: BindingDB Entry 4119: Allosteric Modulators of D1 Receptors: Dose-dependent Assay

description: Small molecule binding data for protein Dopamine D1 and D2 receptor, Uniprot P21728
DOI: 10.7270/q2k64g99
title: BindingDB Entry 1553: A practical synthesis of the major 3-hydroxy-2-pyrrolidinone metabolite of a potent CDK2/cyclin A inhibitor.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 2 (CDK2), Uniprot P20248 and P24941
DOI: 10.7270/q2k64gc6
title: BindingDB Entry 3074: N-Benzyl-1-heteroaryl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamides as inhibitors of co-activator associated arginine methyltransferase 1 (CARM1).

description: Small molecule binding data for protein Histone-Arginine Methyltransferase CARM1, Uniprot Q9WVG6
DOI: 10.7270/q2mw2fjg
title: BindingDB Entry 4118: Allosteric Modulators of D1 Receptors: Dose-dependent Counterscreen

description: Small molecule binding data for protein Dopamine D5 receptor, Uniprot P21918
DOI: 10.7270/q2rn3686
title: BindingDB Entry 4117: Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation

description: Small molecule binding data for protein eukaryotic translation initiation factor 4 gamma, 1 isoform 4, Uniprot Q04637
DOI: 10.7270/q2sq8xqm
title: BindingDB Entry 3081: Parallel medicinal chemistry approaches to selective HDAC1/HDAC2 inhibitor (SHI-1:2) optimization.

description: Small molecule binding data for protein Histone deacetylase 1 and Histone deacetylase 3/NCoR1, Uniprot O15379 and Q13547
DOI: 10.7270/q2tq5zs3
title: BindingDB Entry 1550: Dissecting the determinants of cyclin-dependent kinase 2 and cyclin-dependent kinase 4 inhibitor selectivity.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 2 (CDK2), Cyclin-Dependent Kinase 2 (CDK2) Mutant (F82H), Cyclin-Dependent Kinase 2 (CDK2) Mutant (F82H/L83V/H84D), Cyclin-Dependent Kinase 2 (CDK2) Mutant (F82H/L83V/H84D/K89T), Cyclin-Dependent Kinase 2 (CDK2) Mutant (K89T), Cyclin-Dependent Kinase 2 (CDK2) Mutant (L83V/H84D), and Cyclin-Dependent Kinase 4 (CDK4), Uniprot P11802, P24385, and P24941
DOI: 10.7270/q2wd3z0j
title: BindingDB Entry 4116: Estrogen Receptor-beta Coactivator Binding Inhibitors Dose Response Confirmation

description: Small molecule binding data for protein Estradiol receptor beta (ERβ), Uniprot Q92731
DOI: 10.7270/q2zg6qgc
title: BindingDB Entry 1549: Design of Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase with Improved Drug Resistance Properties. 1.

description: Small molecule binding data for protein HIV-1 Reverse Transcriptase, HIV-1 Reverse Transcriptase Mutant (L100I), and HIV-1 Reverse Transcriptase Mutant (Y181C)
DOI: 10.7270/q2zg6qkq
title: BindingDB Entry 3070: Investigation on the role of the tetrazole in the binding of thiotetrazolylacetanilides with HIV-1 wild type and K103N/Y181C double mutant reverse transcriptases.

description: Small molecule binding data for protein HIV-1 Reverse Transcriptase and HIV-1 Reverse Transcriptase Mutant (103N/181C), Uniprot P04585
DOI: 10.25345/c5cp4b
title: MassIVE MSV000083105 - Massive_Cotton_neg_YEE_JEN2_gutcontent_faeces
title: Samples of cotton leaves, fall armyworm midgut content and faeces. Data was generated on a Thermo Q Exactive and C18 RP UPLC. Negative polarity acquisition on LC-MS/MS
DOI: 10.7270/q2057dcw
title: BindingDB Entry 4123: Dose Response Confirmation for Small Molecule Inhibitors of Epstein-Barr Virus

description: Small molecule binding data for protein BZLF2, Uniprot Q1HVG2
DOI: 10.7270/q21834rb
title: BindingDB Entry 1587: Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-ray Crystallography.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Uniprot P00742
DOI: 10.7270/q21834t7
title: BindingDB Entry 3091: Pyrido[2,3-d]pyrimidin-5-ones: A Novel Class of Antiinflammatory Macrophage Colony-Stimulating Factor-1 Receptor Inhibitors

description: Small molecule binding data for protein AXL receptor tyrosine kinase, Insulin receptor, Macrophage colony stimulating factor receptor, Tyrosine Kinase TrkA, Tyrosine-protein kinase Kit (Kit), and Tyrosine-protein kinase receptor FLT3, Uniprot P06213, P07333, P10721, P30530, and P36888
DOI: 10.7270/q23x8539
title: BindingDB Entry 4122: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibitors

description: Small molecule binding data for protein Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot Q07820
DOI: 10.7270/q2513wf7
title: BindingDB Entry 1583: Synthetic Inhibitors of Cytochrome P-450 2A6: Inhibitory Activity, Difference Spectra, Mechanism of Inhibition, and Protein Cocrystallization.

description: Small molecule binding data for protein Cytochrome P450 2A6 and Cytochrome P450 3A, Uniprot P08684 and P11509
DOI: 10.7270/q2513wjk
title: BindingDB Entry 3090: Discovery and evaluation of 4-(2-(4-chloro-1H-pyrazol-1-yl)ethylamino)-3-(6-(1-(3-fluoropropyl)piperidin-4-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one (BMS-695735), an orally efficacious inhibitor of insulin-like growth factor-1 receptor kinase with broad spectrum in vivo antitumor activ

description: Small molecule binding data for protein Cytochrome P450 3A and Insulin-like growth factor I receptor, Uniprot P08069 and P08684
DOI: 10.7270/q27p8wt7
title: BindingDB Entry 4121: Name: High Throughput Screen to Identify Compounds that increase expression of NF-kB in Human Neuronal Cells - Dose Response

description: Small molecule binding data for protein Nuclear factor NF-kappa-B, Uniprot Q04206
DOI: 10.7270/q28p5xrx
title: BindingDB Entry 1582: Synthesis and biological study of 4-aminopyrimidine-5-carboxaldehyde oximes as antiproliferative VEGFR-2 inhibitors.

description: Small molecule binding data for protein VEGFR-2 (KDR), Uniprot O08775
DOI: 10.7270/q28s4n80
title: BindingDB Entry 3089: Extra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)  Subsite of Matrix Metalloproteinase 8 (MMP-8)

description: Small molecule binding data for protein Collagenase, Matrix Metalloproteinase-8 (MMP-8), Matrix metalloproteinase-1 (MMP1), Matrix metalloproteinase-12 (MMP12), Matrix metalloproteinase-14 (MMP14), Matrix metalloproteinase-7 (MMP7), and Stromelysin-1, Uniprot P03956, P08253, P08254, P09237, P14780, P22894, P39900, P45452, and P50281
DOI: 10.7270/q2cf9nhh
title: BindingDB Entry 4120: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Secondary Assay

description: Small molecule binding data for protein Estradiol receptor beta (ERβ), Uniprot Q92731
DOI: 10.7270/q2df6pf6
title: BindingDB Entry 1578: Discovery of (1R,5S)-N-[3-Amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3-[2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (SCH 503034), a Selective, Potent, Orally Bioavailable Hepatitis C Virus NS3 Protease Inhibitor

description: Small molecule binding data for protein HCV NS3-NS4A Serine Proteinase, Uniprot P27958
DOI: 10.7270/q2dj5czv
title: BindingDB Entry 3088: Thioamide Hydroxypyrothiones Supersede Amide Hydroxypyrothiones in Potency against Anthrax Lethal Factor.

description: Small molecule binding data for protein Anthrax Lethal Factor (LF), Uniprot P15917
DOI: 10.7270/q2g73c3d
title: BindingDB Entry 4127: E3 Ligase_WT_Dose Response

description: Small molecule binding data for protein E3 ubiquitin-protein ligase Mdm2, Uniprot Q00987
DOI: 10.7270/q2j67f5x
title: BindingDB Entry 1572: N-(5-Chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine, a Novel, Highly Selective, Orally Available, Dual-Specific c-Src/Abl Kinase Inhibitor.

description: Small molecule binding data for protein VEGF-receptor 2 and tyrosine-protein kinase SRC and Vascular endothelial growth factor receptor 2, Uniprot P12931 and P35968
DOI: 10.7270/q2j67f88
title: BindingDB Entry 3086: Discovery of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidines: potent inhibitors of the IGF-1R receptor tyrosine kinase.

description: Small molecule binding data for protein Insulin-like growth factor I receptor, Uniprot P08069
DOI: 10.7270/q2nz85wx
title: BindingDB Entry 1571: Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors

description: Small molecule binding data for protein HIV-1 Protease, Uniprot Q8AFU8 C6G7Q7 A3FHG7
DOI: 10.7270/q2nz85zt
title: BindingDB Entry 3083: Optimization of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine IGF-1R tyrosine kinase inhibitors towards JNK selectivity

description: Small molecule binding data for protein Insulin-like growth factor I receptor, Mitogen-Activated Protein Kinase 10 (JNK3), and c-Jun N-terminal kinase, JNK, Uniprot P08069, P45983, and P53779
DOI: 10.7270/q2pz5725
title: BindingDB Entry 1551: 3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazoles: A new class of CDK2 inhibitors.

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 5 (CDK5), and Serine/threonine-protein kinase Aurora, Uniprot O14965, P06493, P11802, P14635, P20248, P24385, P24864, P24941, Q00535, and Q15078
DOI: 10.7270/q2qn6558
title: BindingDB Entry 4125: Homologous recombination_Rad 51_dose response_2

description: Small molecule binding data for protein DNA repair protein RAD51 homolog 1, Uniprot Q06609
DOI: 10.7270/q2rr1wjb
title: BindingDB Entry 3096: Structure-activity relationships of orotidine-5 -monophosphate decarboxylase inhibitors as anticancer agents.

description: Small molecule binding data for protein Orotate phosphoribosyltransferase (HsOPRT) and Orotidine Monophosphate Decarboxylase (ODCase), Uniprot O26232 and P11172
DOI: 10.7270/q2sq8xnq
title: BindingDB Entry 1570: Oximinoarylsulfonamides as potent HIV protease inhibitors.

description: Small molecule binding data for protein HIV-1 Protease, Uniprot Q8AFU8 C6G7Q7 A3FHG7
DOI: 10.7270/q2vd6ww6
title: BindingDB Entry 4124: Homologous Recombination_Rad51_DNA binding assay

description: Small molecule binding data for protein DNA repair protein RAD51 homolog 1, Uniprot Q06609
DOI: 10.7270/q2xg9pdw
title: BindingDB Entry 1567: Novel isoindoline compounds for potent and selective inhibition of prolyl dipeptidase DPP8

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/q2xg9pgs
title: BindingDB Entry 3080: Tricyclic HIV integrase inhibitors: VI. SAR studies of  benzyl flipped  C3-substituted pyrroloquinolines.

description: Small molecule binding data for protein HIV-1 Integrase
DOI: 10.7270/q20863mz
title: BindingDB Entry 3103: Discovery of N-(4-(2-Amino-3-chloropyridin-4-yloxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide (BMS-777607), a Selective and Orally Efficacious Inhibitor of the Met Kinase Superfamily.

description: Small molecule binding data for protein Hepatocyte growth factor receptor, Uniprot P08581
DOI: 10.7270/q22805v8
title: BindingDB Entry 1563: Substituted pyrrolidine-2,4-dicarboxylic acid amides as potent dipeptidyl peptidase IV inhibitors.

description: Small molecule binding data for protein Dipeptidyl peptidase 2 (DPP II), Dipeptidyl peptidase 4 (DPP4), Dipeptidyl peptidase VIII, and Fibroblast Activation Protein (FAP), Uniprot P27487, Q12884, Q6V1X1, and Q9UHL4
DOI: 10.7270/q22z13z2
title: BindingDB Entry 4130: Fluorescence counterscreen assay for TRPN1 agonists: dose response cell-based high-throughput screening assay to identify agonists of the transient receptor potential channel ML3 (TRPML3)

description: Small molecule binding data for protein MCOLN3 protein, Uniprot Q8TDD5
DOI: 10.7270/q23j3b44
title: BindingDB Entry 2: Inhibition of Src kinase activity by 7-[(2,4-dichloro-5-methoxyphenyl)amino]-2-heteroaryl-thieno[3,2-b]pyridine-6-carbonitriles.

description: Small molecule binding data for protein VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P12931
DOI: 10.7270/q2416vcr
title: BindingDB Entry 3101: Discovery and Structure-Activity Relationships of Trisubstituted Pyrimidines/Pyridines as Novel Calcium-Sensing Receptor Antagonists.

description: Small molecule binding data for protein Calcium-sensing receptor (CaSR), Uniprot P41180
DOI: 10.7270/q26q1vpd
title: BindingDB Entry 4129: SAR assay for compounds activating TNAP in the presence of 100 mM DEA performed in a luminescence assay

description: Small molecule binding data for protein Alkaline phosphatase, tissue-nonspecific isozyme, Uniprot P05186
DOI: 10.7270/q27s7m0t
title: BindingDB Entry 1602: Arylsulfonamides: A study of the relationship between activity and conformational preferences for a series of factor Xa inhibitors

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Uniprot P00742
DOI: 10.7270/q27s7m35
title: BindingDB Entry 3100: 6-Ethynylthieno[3,2-d]- and 6-ethynylthieno[2,3-d]pyrimidin-4-anilines as tunable covalent modifiers of ErbB kinases.

description: Small molecule binding data for protein Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), and Receptor tyrosine-protein kinase erbB-4 (HER4), Uniprot P00533, P04626, and Q15303
DOI: 10.7270/q29g5k79
title: BindingDB Entry 4136: Fluorescent assay for identification of compounds that inhibit VHR1

description: Small molecule binding data for protein Dual specificity protein phosphatase (VHR), Uniprot P51452
DOI: 10.7270/q2bg2md4
title: BindingDB Entry 4128: Cathepsin L probe #2 dose-response testing

description: Small molecule binding data for protein Cathepsin L1, Uniprot P07711
DOI: 10.7270/q2cj8btg
title: BindingDB Entry 3099: Development of multitargeted inhibitors of both the insulin-like growth factor receptor (IGF-IR) and members of the epidermal growth factor family of receptor tyrosine kinases.

description: Small molecule binding data for protein EGF-R Tyrosine Kinase Mutant (L858R), Epidermal growth factor receptor and ErbB2 (HER1 and HER2), and Insulin-like growth factor I receptor, Uniprot P04626 and P08069
DOI: 10.7270/q2ft8j68
title: BindingDB Entry 8: Hepatic glucocorticoid receptor antagonism is sufficient to reduce elevated hepatic glucose output and improve glucose control in animal models of type 2 diabetes.

description: Small molecule binding data for protein Androgen receptor, Estradiol receptor beta (ERβ), Estrogen receptor, Glucocorticoid, mineralocorticoid, progesterone, thyroid alpha, and thyroid beta, Uniprot P06211, P06536, P15207, P18113, P22199, P63059, P70580, and Q92731
DOI: 10.7270/q2h70d13
title: BindingDB Entry 1597: Novel Potent Hepatitis C Virus NS3 Serine Protease Inhibitors Derived from Proline-Based Macrocycles.

description: Small molecule binding data for protein HCV NS3-NS4A Serine Proteinase, Uniprot P27958
DOI: 10.7270/q2h993hr
title: BindingDB Entry 3098: Synthesis and pharmacological characterization of beta2-adrenergic agonist enantiomers: zilpaterol.

description: Small molecule binding data for protein Beta-2 adrenergic receptor and beta-3 adrenergic receptor and Mu-type opioid receptor, Uniprot P07550 and P35372
DOI: 10.7270/q2kk98xk
title: BindingDB Entry 7: Structure-based design of HIV protease inhibitors: 4-hydroxycoumarins and 4-hydroxy-2-pyrones as non-peptidic inhibitors.

description: Small molecule binding data for protein HIV-1 Protease and HIV-2 Protease, Uniprot Q8AFU8 C6G7Q7 A3FHG7
DOI: 10.7270/q2kw5dg0
title: BindingDB Entry 4126: E3 Ligase_Mutant_Dose Response

description: Small molecule binding data for protein E3 ubiquitin-protein ligase Mdm2, Uniprot Q00987
DOI: 10.7270/q2n014rd
title: BindingDB Entry 1591: Fluoro-Olefins as Peptidomimetic Inhibitors of Dipeptidyl Peptidases.

description: Small molecule binding data for protein Dipeptidyl peptidase 2 (DPP II) and Dipeptidyl peptidase 4 (DPP4), Uniprot P27487 and Q9UHL4
DOI: 10.7270/q2n014vr
title: BindingDB Entry 3097: Discovery of a potent, selective, and orally efficacious pyrimidinooxazinyl bicyclooctaneacetic acid diacylglycerol acyltransferase-1 inhibitor.

description: Small molecule binding data for protein Acyl Cholesterol Acyltransferase 1 (ACAT-1), Diacyl Glycerolacyltransferase 1 (DGAT-1), Diacylglycerol O-acyltransferase 1 (DGAT1), and Diacylglycerol O-acyltransferase 2, Uniprot O75907, P35610, Q96PD7, and Q9ERM3
DOI: 10.7270/q2pn942b
title: BindingDB Entry 4133: 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/q2q81b7j
title: BindingDB Entry 5: 1-[2-(Diphenylmethoxy)ethyl]-2-methyl-5-nitroimidazole: a potent lead for the design of novel NNRTIs.

description: Small molecule binding data for protein HIV-1 Reverse Transcriptase
DOI: 10.7270/q2rr1wgf
title: BindingDB Entry 1590: Ultrahigh Resolution Crystal Structures of Human Carbonic Anhydrases I and II Complexed with "Two-Prong" Inhibitors Reveal the Molecular Basis of High Affinity.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrase 2, Uniprot P00915 and P00918
DOI: 10.7270/q2td9vrt
title: BindingDB Entry 4132: Rml C and D dose-response confirmation

description: Small molecule binding data for protein dTDP-4-dehydrorhamnose 3,5-epimerase RmlC, Uniprot P9WH10
DOI: 10.7270/q2v122xd
title: BindingDB Entry 4: 1,3-Di(2-[5-3H]tolyl)guanidine: a selective ligand that labels sigma-type receptors for psychotomimetic opiates and antipsychotic drugs.

description: Small molecule binding data for protein Alpha-1A adrenergic receptor, Serotonin (5-HT) receptor, and adrenergic Alpha2, Uniprot P14842, P22086, and P43140
DOI: 10.7270/q2wh2n7m
title: BindingDB Entry 1589: SAR and inhibitor complex structure determination of a novel class of potent and specific Aurora kinase inhibitors.

description: Small molecule binding data for protein Serine/threonine-protein kinase Aurora, Uniprot O14965
DOI: 10.7270/q2wh2n9h
title: BindingDB Entry 3094: Orally bioavailable antagonists of inhibitor of apoptosis proteins based on an azabicyclooctane scaffold.

description: Small molecule binding data for protein ML-IAP-BIR, XIAP-BIR3, and cIAP1-BIR3
DOI: 10.7270/q2z60mg3
title: BindingDB Entry 4131: Fluorescence counterscreen assay for TRPML3 agonists: dose response cell-based high-throughput screening assay to identify agonists of the transient receptor potential channel N1 (TRPN1)

description: Small molecule binding data for protein transient receptor potential cation channel, subfamily N, member 1, Uniprot Q7T1G6
DOI: 10.7270/q2zs2tnf
title: BindingDB Entry 3: Synthesis and evaluation of 1,4,5,6-tetrahydropyridazine derivatives as influenza neuraminidase inhibitors.

description: Small molecule binding data for protein Neuraminidase A and Neuraminidase B, Uniprot P03468 and P03474
DOI: 10.7270/q20863j2
title: BindingDB Entry 1605: Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors.

description: Small molecule binding data for protein Prothrombin, Uniprot P00734
DOI: 10.7270/q21z42tp
title: BindingDB Entry 4138: Dose Response Confirmation via Multiplex HTS Assay for Inhibitors of MEK Kinase PB1 Domains, specifically MEK5 binding to MEK Kinase 2 Wildtype

description: Small molecule binding data for protein Mitogen-activated protein kinase 2, Uniprot Q12851
DOI: 10.7270/q22j6916
title: BindingDB Entry 11: Quinolone-based HDAC inhibitors.

description: Small molecule binding data for protein Histone acetylases (HDACs), Uniprot A0A024QZ26, P56524, Q13547, Q96DB2, Q9BY41, and Q9UBN7
DOI: 10.7270/q2319t6x
title: BindingDB Entry 3114: Design of potent thiophene inhibitors of polo-like kinase 1 with improved solubility and reduced protein binding.

description: Small molecule binding data for protein Serine/threonine-protein kinase PLK1 and Serine/threonine-protein kinase PLK3, Uniprot P53350 and Q9H4B4
DOI: 10.7270/q2416v9v
title: BindingDB Entry 1603: Design and synthesis of orally active pyrrolidin-2-one-based factor Xa inhibitors.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Uniprot P00742
DOI: 10.7270/q25b00mp
title: BindingDB Entry 18: Direct Interaction of Chivosazole F with Actin Elicits Cell Responses Similar to Latrunculin A but Distinct from Chondramide.

description: Small molecule binding data for protein ACT1, ACT1 (R183K), and ACT1 (R335K), Uniprot P60010 Q9P3X6 D6VTJ1 Q9P3X7
DOI: 10.7270/q25q4thk
title: BindingDB Entry 4137: Dose Response Confirmation Screen via Multiplex HTS Assay for Inhibitors of MEK Kinase PB1 Domains, specifically MEK5 binding to MEK Kinase 2 Mutant

description: Small molecule binding data for protein Mitogen-activated protein kinase 2, Uniprot Q12851
DOI: 10.7270/q26971rh
title: BindingDB Entry 10: Cereblon is a direct protein target for immunomodulatory and antiproliferative activities of lenalidomide and pomalidomide.

description: Small molecule binding data for protein DNA damage-binding protein 1 and Protein cereblon, Uniprot Q13289 Q58F96 A6NG77 B4DG00 Q16531 O15176 B2R648 and Q96SW2
DOI: 10.7270/q26t0jw1
title: BindingDB Entry 1620: 1-[3-Aminobenzisoxazol-5 -yl]-3-trifluoromethyl-6-[2 -(3-(R)-hydroxy-N-pyrrolidinyl)methyl-[1,1 ]-biphen-4-yl]-1,4,5,6-tetrahydropyrazolo-[3,4-c]-pyridin-7-one (BMS-740808) a highly potent, selective, efficacious, and orally bioavailable inhibitor of blood coagulation factor Xa.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Uniprot P00742
DOI: 10.7270/q26t0jzx
title: BindingDB Entry 3112: Discovery of thiophene inhibitors of polo-like kinase.

description: Small molecule binding data for protein Serine/threonine-protein kinase PLK1 and Serine/threonine-protein kinase PLK3, Uniprot P53350 and Q9H4B4
DOI: 10.7270/q2930rb1
title: BindingDB Entry 17: Structural Basis of Analog Specificity in PKG I and II.

description: Small molecule binding data for protein cGMP-dependent protein kinase 2, hPKG 1 beta 1-351, hPKG 1 beta 1-351 (G182E), hPKG 1 beta 1-351 (G306E), hPKG 1 beta 5-676, hPKG II 41−418, hPKG II 41−418 (G232E), and hPKG II 41−418 (G356E), Uniprot Q13237
DOI: 10.7270/q2b27sgv
title: BindingDB Entry 9: Novel spirocyclic pyrrolidones as P2/P1 mimetics in potent inhibitors of HIV-1 protease.

description: Small molecule binding data for protein HIV-1 Protease
DOI: 10.7270/q2bk19k9
title: BindingDB Entry 1617: Discovery of 1-(3'-aminobenzisoxazol-5'-yl)-3-trifluoromethyl-N-[2-fluoro-4-[(2'-dimethylaminomethyl)imidazol-1-yl]phenyl]-1H-pyrazole-5-carboxyamide hydrochloride (razaxaban), a highly potent, selective, and orally bioavailable factor Xa inhibitor.

description: Small molecule binding data for protein Coagulation factor IX and X, Coagulation factor VII, Coagulation factor X/antithrombin III, Plasma kallikrein (KLKB1), Prothrombin, and Trypsin, Uniprot P00734, P00740, P00742, P00760, P03952, and P08709