cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2s180sf
title: BindingDB Entry 2986: Synthesis and evaluation of novel inhibitors of Pim-1 and Pim-2 protein kinases.

description: Small molecule binding data for protein Serine/threonine-protein kinase PIM, Uniprot P11309 and Q9P1W9
DOI: 10.7270/q2tq5zxw
title: BindingDB Entry 4068: Dose response cell-based assay to measure STAT3 inhibition

description: Small molecule binding data for protein STAT3
DOI: 10.7270/q2ws8rg1
title: BindingDB Entry 1368: Discovery, Structure-Activity Relationship, and Pharmacological Evaluation of (5-Substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as Potent Dipeptidyl Peptidase IV Inhibitors.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4), Uniprot P27487
DOI: 10.7270/q20k26s1
title: BindingDB Entry 1397: Discovery of Potent Anilide Inhibitors against the Severe Acute Respiratory Syndrome 3CL Protease.

description: Small molecule binding data for protein SARS Coronavirus 3C-like Protease, Uniprot P0C6X7
DOI: 10.7270/q228061x
title: BindingDB Entry 4074: Dose response cell-based high throughput screening assay for antagonists of the Sphingosine 1-Phosphate Receptor 3 (S1P3)

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor 3, Uniprot Q99500
DOI: 10.7270/q23b5xfw
title: BindingDB Entry 3007: 2-Aminobenzimidazoles as potent ITK antagonists: trans-stilbene-like moieties targeting the kinase specificity pocket.

description: Small molecule binding data for protein Insulin receptor and Tyrosine-protein kinase ITK/TSK, Uniprot P06213 and Q08881
DOI: 10.7270/q24b2zjt
title: BindingDB Entry 1396: Synthesis, Crystal Structure, Structure-Activity Relationships, and Antiviral Activity of a Potent SARS Coronavirus 3CL Protease Inhibitor.

description: Small molecule binding data for protein SARS Coronavirus 3C-like Protease, Uniprot P0C6X7
DOI: 10.7270/q2610xrv
title: BindingDB Entry 4073: Counter Screen using XIAP-Bir3 of the Chemical Antagonists of IAP-family anti-apoptotic proteins confirmation assay

description: Small molecule binding data for protein X-linked inhibitor of apoptosis protein (XIAP), Uniprot P98170
DOI: 10.7270/q2736p62
title: BindingDB Entry 3003: Discovery of potent inhibitors of interleukin-2 inducible T-cell kinase (ITK) through structure-based drug design.

description: Small molecule binding data for protein Insulin receptor and Tyrosine-protein kinase ITK/TSK, Uniprot P06213 and Q08881
DOI: 10.7270/q2833q73
title: BindingDB Entry 1384: Discovery of potent and selective orally bioavailable beta-substituted phenylalanine derived dipeptidyl peptidase IV inhibitors.

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/q29s1pg8
title: BindingDB Entry 4072: Luminescent assay for HTS discovery of chemical inhibitors of placental alkaline phosphatase confirmation

description: Small molecule binding data for protein Alkaline phosphatase placental-like, Uniprot P10696
DOI: 10.7270/q2bv7dtq
title: BindingDB Entry 1404: Biochemical and three-dimensional-structural study of the specific inhibition of protein kinase CK2 by [5-oxo-5,6-dihydroindolo-(1,2-a)quinazolin-7-yl]acetic acid (IQA).

description: Small molecule binding data for protein Casein Kinase II, Uniprot P68400
DOI: 10.7270/q2bv7dx2
title: BindingDB Entry 3002: Alpha,Beta-cyclic-beta-benzamido hydroxamic acids: Novel oxaspiro[4.4]nonane templates for the discovery of potent, selective, orally bioavailable inhibitors of tumor necrosis factor-alpha converting

description: Small molecule binding data for protein ADAM17, Collagenase, and Matrix metalloproteinase-1 (MMP1), Uniprot O77636, P03956, P08253, and P14780
DOI: 10.7270/q2cr5rk7
title: BindingDB Entry 1380: Discovery of potent, selective, and orally bioavailable pyridone-based dipeptidyl peptidase-4 inhibitors.

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/q2fj2f7f
title: BindingDB Entry 4071: Discovery of novel allosteric modulators of the M1 muscarinic receptor: Agonist NMS binding at M1

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1, Uniprot P08482
DOI: 10.7270/q2gm85ns
title: BindingDB Entry 3000: Potent, exceptionally selective, orally bioavailable inhibitors of TNF-alpha Converting Enzyme (TACE): novel 2-substituted-1H-benzo[d]imidazol-1-yl)methyl)benzamide P1' substituents.

description: Small molecule binding data for protein ADAM17, Collagenase, Matrix Metalloproteinase-10 (MMP-10), Matrix Metalloproteinase-8 (MMP-8), Matrix metalloproteinase-12 (MMP12), Matrix metalloproteinase-7 (MMP7), and Stromelysin-1, Uniprot O77636, P08254, P09237, P09238, P22894, P39900, and P45452
DOI: 10.7270/q2hh6h8h
title: BindingDB Entry 1377: (2R)-4-Oxo-4-[3-(Trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine: A Potent, Orally Active Dipeptidyl Peptidase IV Inhibitor for the Treatment of Type 2 Diabetes.

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/q2j964tc
title: BindingDB Entry 4078: Confirmation of compounds inhibiting phosphomannose isomerase (PMI) via a fluorescence intensity assay.

description: Small molecule binding data for protein MPI protein, Uniprot P34949
DOI: 10.7270/q2k935zr
title: BindingDB Entry 4070: Dose response counterscreen assay for STAT3 inhibitors: cell-based high throughput assay to measure STAT1 inhibition

description: Small molecule binding data for protein Transcription Factor STAT1, Uniprot P42224
DOI: 10.7270/q2mc8xbp
title: BindingDB Entry 2997: BACE-1 inhibitors part 3: identification of hydroxy ethylamines (HEAs) with nanomolar potency in cells.

description: Small molecule binding data for protein Beta-secretase 1, Beta-secretase 2 (BACE2), and Cathepsin D, Uniprot P07339, P56817, and Q9Y5Z0
DOI: 10.7270/q2n87807
title: BindingDB Entry 1373: (2S,3S)-3-Amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-(4-[1,2,4]triazolo[1,5-a]-pyridin-6-ylphenyl)butanamide: A Selective alpha-Amino Amide Dipeptidyl Peptidase IV Inhibitor for the Treatment of Type 2 Diabetes

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/q2r20zkb
title: BindingDB Entry 1399: Discovery of a Novel Family of SARS-CoV Protease Inhibitors by Virtual Screening and 3D-QSAR Studies.

description: Small molecule binding data for protein SARS Coronavirus 3C-like Protease, Uniprot P0C6X7
DOI: 10.7270/q2r20zpp
title: BindingDB Entry 2996: Novel inhibitors of fatty acid amide hydrolase.

description: Small molecule binding data for protein Fatty-acid amide hydrolase 1 (FAAH), Uniprot O00519
DOI: 10.7270/q2sq8xtz
title: BindingDB Entry 4076: Counterscreen assay for PERK inhibitors: Dose response cell-based high throughput screening assay to measure inhibition of PERK at 6 hours

description: Small molecule binding data for protein Pancreatic endoplasmic reticulum kinase (PERK), Uniprot Q9NZJ5
DOI: 10.7270/q2vt1q9r
title: BindingDB Entry 1398: Inhibition of the severe acute respiratory syndrome 3CL protease by peptidomimetic alpha,beta-unsaturated esters.

description: Small molecule binding data for protein SARS Coronavirus 3C-like Protease, Uniprot P0C6X7
DOI: 10.7270/q2vt1qcn
title: BindingDB Entry 2995: Novel mechanistic class of fatty acid amide hydrolase inhibitors with remarkable selectivity.

description: Small molecule binding data for protein Fatty-acid amide hydrolase 1 (FAAH), Uniprot O00519
DOI: 10.7270/q2xg9pjp
title: BindingDB Entry 4075: Dose response cell-based high-throughput screening assay to measure PERK inhibition

description: Small molecule binding data for protein Pancreatic endoplasmic reticulum kinase (PERK), Uniprot Q9NZJ5
DOI: 10.7270/q2zg6qnm
title: BindingDB Entry 4067: Fluorescence polarization assay for PKD inhibitiors-interference assay-57K HTS campaign

description: Small molecule binding data for protein Serine/threonine-protein kinase D1, Uniprot Q15139
DOI: 10.7270/q2zk5f0f
title: BindingDB Entry 3009: Crystal structures of interleukin-2 tyrosine kinase and their implications for the design of selective inhibitors.

description: Small molecule binding data for protein Tyrosine-protein kinase ITK/TSK, Uniprot Q08881
DOI: 10.7270/q21834w4
title: BindingDB Entry 4082: Dose response cell-based high-throughput screening assay for agonists of the transient receptor potential channel ML3 (TRPML3)

description: Small molecule binding data for protein MCOLN3 protein, Uniprot Q8TDD5
DOI: 10.7270/q22b8wbz
title: BindingDB Entry 3031: Novel potent inhibitors of hepatitis C virus (HCV) NS3 protease with cyclic sulfonyl P3 cappings.

description: Small molecule binding data for protein HCV NS3-NS4A Serine Proteinase, Uniprot P27958
DOI: 10.7270/q23b5xc0
title: BindingDB Entry 1417: Structural Aspects of Isozyme Selectivity in the Binding of Inhibitors to Carbonic Anhydrases II and IV.

description: Small molecule binding data for protein Carbonic anhydrase 2 and Carbonic anhydrase 4, Uniprot P00918 and P22748
DOI: 10.7270/q2513wmg
title: BindingDB Entry 4081: Luminescence counterscreen assay for p97 inhibitors: Dose response biochemical high throughput screening assay to identify inhibitors of the C522A mutant p97 ATPase.

description: Small molecule binding data for protein Valosin-containing protein, Uniprot P55072
DOI: 10.7270/q2639n17
title: BindingDB Entry 3029: Discovery and structure-activity relationship of P1-P3 ketoamide derived macrocyclic inhibitors of hepatitis C virus NS3 protease.

description: Small molecule binding data for protein HCV NS3-NS4A Serine Proteinase, Uniprot P27958
DOI: 10.7270/q2736p45
title: BindingDB Entry 1405: Carbonic Anhydrase and Matrix Metalloproteinase Inhibitors: Sulfonylated Amino Acid Hydroxamates with MMP Inhibitory Properties Act as Efficient Inhibitors of CA Isozymes I, II, and IV, and N-Hydroxysulfonamides Inhibit Both These Zinc Enzymes

description: Small molecule binding data for protein Carbonic Anhydrase IV, Carbonic anhydrase, Carbonic anhydrase 2, Collagenase, Collagenase (ChC), Matrix Metalloproteinase-8 (MMP-8), and Matrix metalloproteinase-1 (MMP1), Uniprot P00915, P00918, P03956, P08253, P14780, P22894, Q95323, and Q9S0X0
DOI: 10.7270/q28s4nbw
title: BindingDB Entry 4080: Dose response cell-based high-throughput screening assay for 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/q29w0cs7
title: BindingDB Entry 3026: Cloning, expression, post-translational modifications and inhibition studies on the latest mammalian carbonic anhydrase isoform, CA XV.

description: Small molecule binding data for protein Carbonic Anhydrase XV, Carbonic anhydrase, Carbonic anhydrase 2, Carbonic anhydrase 6 (CA-VI), and Carbonic anhydrase 9, Uniprot P00915, P00918, P23280, and Q16790
DOI: 10.7270/q2dj5d2m
title: BindingDB Entry 4079: Confirmation of compounds inhibiting phosphomannose isomerase (PMI) via a fluorescence intensity assay using a high concentration of mannose 6-phosphate.

description: Small molecule binding data for protein MPI protein, Uniprot P34949
DOI: 10.7270/q2fn14hz
title: BindingDB Entry 3024: Carbonic anhydrase inhibitors. Comparison of chlorthalidone, indapamide, trichloromethiazide, and furosemide X-ray crystal structures in adducts with isozyme II, when several water molecules make the

description: Small molecule binding data for protein Carbonic Anhydrase III, Carbonic Anhydrase VA, Carbonic Anhydrase VB, Carbonic Anhydrase XIII, Carbonic Anhydrase XIV, Carbonic anhydrase, Carbonic anhydrase 12, Carbonic anhydrase 2, Carbonic anhydrase 4, Carbonic anhydrase 6 (CA-VI), Carbonic anhydrase 7, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, P07451, P22748, P23280, P35218, P43166, Q16790, Q9D6N1, Q9ULX7, and Q9Y2D0
DOI: 10.7270/q2gh9g5k
title: BindingDB Entry 1403: Inhibition of Protein Kinase CK2 by Anthraquinone-related Compounds A STRUCTURAL INSIGHT.

description: Small molecule binding data for protein Casein Kinase II, Uniprot P28523
DOI: 10.7270/q2k935sh
title: BindingDB Entry 1445: Discovery of potent and selective phenylalanine based dipeptidyl peptidase IV inhibitors.

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/q2kd1w79
title: BindingDB Entry 3021: Carbonic anhydrase inhibitors: The membrane-associated isoform XV is highly inhibited by inorganic anions.

description: Small molecule binding data for protein Carbonic Anhydrase XV, Carbonic anhydrase, Carbonic anhydrase 2, and Carbonic anhydrase 4, Uniprot P00915, P00918, and P22748
DOI: 10.7270/q2m906v0
title: BindingDB Entry 1401: Structure-Based Drug Design and Structural Biology Study of Novel Nonpeptide Inhibitors of Severe Acute Respiratory Syndrome Coronavirus Main Protease.

description: Small molecule binding data for protein SARS Coronavirus 3C-like Protease, Uniprot P0C6X7
DOI: 10.7270/q2p26wjq
title: BindingDB Entry 4077: Dose response biochemical high throughput screening assay for inhibitors of the p97 ATPase

description: Small molecule binding data for protein Valosin-containing protein, Uniprot P55072
DOI: 10.7270/q2q23xgd
title: BindingDB Entry 1440: Crystal Structure of Human Cyclin-Dependent Kinase 2 in Complex with the Adenine-Derived Inhibitor H717.

description: Small molecule binding data for protein CDK2/CycE, Cyclin-Dependent Kinase 1 (CDK1), and Cyclin-Dependent Kinase 4 (CDK4), Uniprot P06493, P11802, P14635, P24385, P24864, and P24941
DOI: 10.7270/q2q52mx5
title: BindingDB Entry 3019: Discovery and structure-activity relationships of 4-aminoquinazoline derivatives, a novel class of opioid receptor like-1 (ORL1) antagonists.

description: Small molecule binding data for protein Nociceptin receptor, Nociceptin/mu opioid receptor, Opioid receptor, and Opioid receptors; mu & delta, Uniprot P33533, P33535, P34975, and P41146
DOI: 10.7270/q2rv0m3v
title: BindingDB Entry 4084: Luminescence counterscreen assay for p97 inhibitors: dose response biochemical high throughput screening assay to identify inhibitors of the C522A mutant p97 ATPase: synthesized compounds.

description: Small molecule binding data for protein Valosin-containing protein, Uniprot P55072
DOI: 10.7270/q2tt4p5c
title: BindingDB Entry 1439: Triazolo[1,5-a]pyrimidines as novel CDK2 inhibitors: Protein structure-guided design and SAR

description: Small molecule binding data for protein Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 2 (CDK2), and Glycogen Synthase Kinase-3, beta, Uniprot P06493, P14635, P18266, P20248, and P24941
DOI: 10.7270/q2tt4p95
title: BindingDB Entry 3010: Synthesis and structure-activity relationships of N-substituted spiropiperidines as nociceptin receptor ligands: Part 2.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, and Nociceptin receptor, Uniprot P35372, P41143, P41145, and P41146
DOI: 10.7270/q2wh2ndv
title: BindingDB Entry 4083: Cathepsin L dose-response testing in the presence of cysteine

description: Small molecule binding data for protein Cathepsin L1, Uniprot P07711
DOI: 10.7270/q2zk5dwp
title: BindingDB Entry 1421: Structure-guided design of pyrazolo[1,5-a]pyrimidines as inhibitors of human cyclin-dependent kinase 2

description: Small molecule binding data for protein Cyclin-Dependent Kinase 2 (CDK2), Uniprot P20248 and P24941
DOI: 10.7270/q20863q9
title: BindingDB Entry 4092: Luminescent counterscreen for inhibitors of the Janus kinase 2 mutant JAK2V617F: dose response cell-based high throughput screening assay for inhibitors of parental Ba/F3 cell viability.

description: Small molecule binding data for protein Tyrosine-protein kinase JAK2, Uniprot O60674
DOI: 10.7270/q21g0jk0
title: BindingDB Entry 3043: The alkaloid conessine and analogues as potent histamine H3 receptor antagonists.

description: Small molecule binding data for protein Histamine H1 receptor, Histamine H2 Receptor, Histamine H3 receptor, Histamine receptor (H3), and Histamine receptor (H4), Uniprot P25021, P35367, Q9H3N8, Q9QYN8, and Q9Y5N1
DOI: 10.7270/q22b8w7m
title: BindingDB Entry 1467: Aminomethylpyrimidines as novel DPP-IV inhibitors: a 10(5)-fold activity increase by optimization of aromatic substituents.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4), Uniprot P27487
DOI: 10.7270/q2416vfn
title: BindingDB Entry 4091: Dose Response for ABC transporter inhibitors: specifically ABCG2 screen, ABCB1 counter-screen

description: Small molecule binding data for protein ATP-binding cassette sub-family G member 2, Uniprot Q9UNQ0
DOI: 10.7270/q2542kxf
title: BindingDB Entry 3041: Non-peptide macrocyclic histone deacetylase inhibitors.

description: Small molecule binding data for protein Histone deacetylase 1 and Histone deacetylase 8, Uniprot Q13547 and Q9BY41
DOI: 10.7270/q2639mzx
title: BindingDB Entry 1466: The reversed binding of b-phenethylamine inhibitors of DPP-IV: X-ray structures and properties of novel fragment and elaborated inhibitors.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4) and Dipeptidyl peptidase IV, Uniprot P22411 and P27487
DOI: 10.7270/q27s7m52
title: BindingDB Entry 4088: SAR assay for compounds that inhibit PHOSPHO1

description: Small molecule binding data for protein phosphatase, orphan 1, Uniprot Q8TCT1
DOI: 10.7270/q28w3bmd
title: BindingDB Entry 3040: Synthesis and SAR of potent LXR agonists containing an indole pharmacophore.

description: Small molecule binding data for protein Liver X receptor (LXR alpha AND LXR beta), Uniprot P55055 and Q13133
DOI: 10.7270/q29w0cqb
title: BindingDB Entry 1462: Sultam Hydroxamates as Novel Matrix Metalloproteinase Inhibitors.

description: Small molecule binding data for protein Collagenase and Matrix metalloproteinase-1 (MMP1), Uniprot P03956, P08253, P14780, and P45452
DOI: 10.7270/q2cj8bwc
title: BindingDB Entry 4087: Counter screen SAR assay for PMM2 inhibitors via a fluorescence intensity assay

description: Small molecule binding data for protein phosphomannomutase 2, Uniprot O15305
DOI: 10.7270/q2dn439p
title: BindingDB Entry 1491: Structural Determinants of Torpedo californica Acetylcholinesterase Inhibition by the Novel and Orally Active Carbamate Based Anti-Alzheimer Drug Ganstigmine (CHF-2819).

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P04058
DOI: 10.7270/q2dn43ck
title: BindingDB Entry 3038: Discovery of the Poly(ADP-ribose) polymerase (PARP) inhibitor 2-[(R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide (ABT-888) for the treatment of cancer.

description: Small molecule binding data for protein poly-ADP-ribose polymerase 1 (PARP1), Uniprot P09874
DOI: 10.7270/q2fn14dm
title: BindingDB Entry 1461: Discovery and Preclinical Profile of Saxagliptin (BMS-477118): A Highly Potent, Long-Acting, Orally Active Dipeptidyl Peptidase IV Inhibitor for the Treatment of Type 2 Diabetes.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4), Uniprot P27487
DOI: 10.7270/q2h993m3
title: BindingDB Entry 4086: TR-FRET counterscreen for FAK inhibitors: dose-response biochemical high throughput screening assay to identify inhibitors of Proline-rich tyrosine kinase 2 (Pyk2)

description: Small molecule binding data for protein PTK2B protein tyrosine kinase 2 beta (PTK2B), Uniprot Q14289
DOI: 10.7270/q2jd4v0k
title: BindingDB Entry 1483: Discovery of potent, selective, and orally bioavailable oxadiazole-based dipeptidyl peptidase IV inhibitors.

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/q2jd4v3x
title: BindingDB Entry 3036: Discovery and SAR of 2-(1-propylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide: A potent inhibitor of poly(ADP-ribose) polymerase (PARP) for the treatment of cancer.

description: Small molecule binding data for protein poly-ADP-ribose polymerase 1 (PARP1), Uniprot P09874
DOI: 10.7270/q2m32t6m
title: BindingDB Entry 4095: Identification of Novel Modulators of Cl- dependent Transport Process via HTS; Dose-dependent Assay with KCC2

description: Small molecule binding data for protein electroneutral potassium-chloride cotransporter KCC2, Uniprot Q9H2X9
DOI: 10.7270/q2n29vcw
title: BindingDB Entry 4085: HTS assay for inhibitors of Trypanosoma brucei hexokinase 1: IC50 determinations

description: Small molecule binding data for protein hexokinase
DOI: 10.7270/q2p55kt7
title: BindingDB Entry 3034: Fragment-based discovery of the pyrazol-4-yl urea (AT9283), a multitargeted kinase inhibitor with potent aurora kinase activity.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 2 (CDK2), and Serine/threonine-protein kinase Aurora, Uniprot O14965, P06493, P14635, P20248, P24941, and Q96GD4
DOI: 10.7270/q2rx99fq
title: BindingDB Entry 3046: Structural analysis of ARC-type inhibitor (ARC-1034) binding to protein kinase A catalytic subunit and rational design of bisubstrate analogue inhibitors of basophilic protein kinases.

description: Small molecule binding data for protein Rho-associated protein kinase, Serine/threonine-protein kinase AKT, and cAMP-Dependent Protein Kinase (PKA), Uniprot O75116, P05132, and Q9Y243
DOI: 10.7270/q2st7n2f
title: BindingDB Entry 1481: Carbonic Anhydrase Inhibitors: Stacking with Phe131 Determines Active Site Binding Region of Inhibitors As Exemplified by the X-ray Crystal Structure of a Membrane-Impermeant Antitumor Sulfonamide Complexed with Isozyme II.

description: Small molecule binding data for protein Carbonic anhydrase 2 and Carbonic anhydrase 9, Uniprot P00918 and Q16790
DOI: 10.7270/q2sx6bh6
title: BindingDB Entry 3033: Potent inhibitors of HCV-NS3 protease derived from boronic acids.

description: Small molecule binding data for protein HCV NS3-NS4A Serine Proteinase, Uniprot P27958
DOI: 10.7270/q2vm49ps
title: BindingDB Entry 4093: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1)

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor, Uniprot P21453
DOI: 10.7270/q2xk8cr9
title: BindingDB Entry 1469: Carbonic Anhydrase Inhibitors. Inhibition of Tumor-Associated Isozyme IX by Halogenosulfanilamide and Halogenophenylaminobenzolamide Derivatives.

description: Small molecule binding data for protein Carbonic Anhydrase IV, Carbonic anhydrase, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot P00915, P00918, Q16790, and Q95323
DOI: 10.7270/q2xk8cw3
title: BindingDB Entry 3032: Design, synthesis, and evaluation of oxygen-containing macrocyclic peptidomimetics as inhibitors of HCV NS3 protease.

description: Small molecule binding data for protein HCV NS3-NS4A Serine Proteinase, Uniprot P27958