cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2gb2507
title: BindingDB Entry 50038949: alphavbeta3 Integrin-targeting Arg-Gly-Asp (RGD) peptidomimetics containing oligoethylene glycol (OEG) spacers.

description: Small molecule binding data for protein Integrin alpha-IIb/beta-3 and Integrin beta-3/Vitronectin receptor alpha, Uniprot P05106, P06756, and P08514
DOI: 10.7270/q2gh9jp4
title: BindingDB Entry 50037096: Relationships between structure and interaction kinetics for HIV-1 protease inhibitors.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease
DOI: 10.7270/q2k64k3v
title: BindingDB Entry 50039779: Acylprolinamides: a new class of peptide deformylase inhibitors with in vivo antibacterial activity.

description: Small molecule binding data for protein Peptide Deformylase and Peptide deformylase, Uniprot P68825 and Q9F2F0
DOI: 10.7270/q2kp82z6
title: BindingDB Entry 50038038: Conformationally restricted homotryptamines. Part 4: Heterocyclic and naphthyl analogs of a potent selective serotonin reuptake inhibitor.

description: Small molecule binding data for protein Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot P23975, P31645, and Q01959
DOI: 10.7270/q2m32wpq
title: BindingDB Entry 50038948: Heterobiaryl purine derivatives as potent antiproliferative agents: inhibitors of cyclin dependent kinases. Part II.

description: Small molecule binding data for protein CDK2/Cyclin A/Cyclin A1 and CDK2/Cyclin E/G1/S-specific cyclin E2, Uniprot O96020, P20248, P24864, P24941, and P78396
DOI: 10.7270/q2m909dd
title: BindingDB Entry 50037095: Adenosine 5'-O-(1-boranotriphosphate) derivatives as novel P2Y(1) receptor agonists.

description: Small molecule binding data for protein Purinergic receptor P2Y1, Uniprot P49651
DOI: 10.7270/q2pz59tv
title: BindingDB Entry 50039778: Structure-activity relationships of trimethoxybenzyl piperazine N-type calcium channel inhibitors.

description: Small molecule binding data for protein Voltage-gated potassium channel, Uniprot Q12809
DOI: 10.7270/q2qf8tpj
title: BindingDB Entry 50038037: Synthesis and biological evaluation of a C5-biphenyl thiolactomycin library.

description: Small molecule binding data for protein β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH), Uniprot P9WNG3
DOI: 10.7270/q2qv3nfk
title: BindingDB Entry 50038947: Design and synthesis of novel histone deacetylase inhibitor derived from nuclear localization signal peptide.

description: Small molecule binding data for protein Histone deacetylase and Histone deacetylase 8, Uniprot A0A024QZ26, Q9BY41, and Q9UBN7
DOI: 10.7270/q2r21244
title: BindingDB Entry 50037094: Synthesis and biological evaluation of 14-alkoxymorphinans. 17. Highly delta opioid receptor selective 14-alkoxy-substituted indolo- and benzofuromorphinans.

description: Small molecule binding data for protein Delta-type opioid receptor, Nociceptin/mu opioid receptor, Opioid receptors; mu & delta, and mu/kappa opioid receptor, Uniprot P33533, P33535, P41143, P41144, and P97266
DOI: 10.7270/q2tm7c5q
title: BindingDB Entry 50039777: Total synthesis and dual PPARa/¿ agonist effects of amorphastilbol and its synthetic derivatives.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Peroxisome proliferator-activated receptor alpha (PPAR alpha), and Peroxisome proliferator-activated receptor delta (PPAR delta), Uniprot P37231, Q03181, and Q07869
DOI: 10.7270/q2tt4rqc
title: BindingDB Entry 50037101: Structure-affinity relationship study on N-[4-(4-arylpiperazin-1-yl)butyl]arylcarboxamides as potent and selective dopamine D(3) receptor ligands.

description: Small molecule binding data for protein Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Dopamine receptors; D2 & D4, and Serotonin (5-HT) receptor, Uniprot P14416, P19020, P19327, and P21917
DOI: 10.7270/q2v69kd8
title: BindingDB Entry 50038036: Novel anti-infection agents: small-molecule inhibitors of bacterial transcription factors.

description: Small molecule binding data for protein Exoenzyme S synthesis regulatory protein exsA, Uniprot P26993
DOI: 10.7270/q2vm4d6r
title: BindingDB Entry 50038946: N-(4-(6,7-Disubstituted-quinolin-4-yloxy)-3-fluorophenyl)-2-oxo-3-phenylimidazolidine-1-carboxamides: a novel series of dual c-Met/VEGFR2 receptor tyrosine kinase inhibitors.

description: Small molecule binding data for protein Hepatocyte growth factor receptor, Uniprot P08581
DOI: 10.7270/q2vt1st9
title: BindingDB Entry 50037093: Probing opioid receptor interactions with azacycloalkane amino acids. Synthesis of a potent and selective ORL1 antagonist.

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/q2zc83w1
title: BindingDB Entry 50039776: Identification of blapsins A and B as potent small-molecule 14-3-3 inhibitors from the insect Blaps japanensis.

description: Small molecule binding data for protein tyrosine 3-monooxygenase/tryptophan 5-monooxygenase activation protein, gamma polypeptide, Uniprot P61981
DOI: 10.7270/q2zk5hdn
title: BindingDB Entry 50037100: Anthranilic acid amides: a novel class of antiangiogenic VEGF receptor kinase inhibitors.

description: Small molecule binding data for protein Cyclin-dependent kinase 1, Epidermal growth factor receptor, Fibroblast growth factor receptor 1, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Insulin-like growth factor I receptor, Macrophage colony stimulating factor receptor, Macrophage-stimulating protein receptor, Platelet-derived growth factor receptor beta, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase Kit (Kit), VEGF-receptor 2 and tyrosine-protein kinase SRC, Vascular endothelial growth factor receptor, Vascular endothelial growth factor receptor 2, and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot L7RSL3, P00519, P00533, P06493, P07333, P08069, P09619, P10721, P11362, P12931, P17948, P35916, P35968, Q02763, and Q04912
DOI: 10.7270/q2251k3q
title: BindingDB Entry 50038960: Synthesis and characterization of environment-sensitive fluorescent ligands for human 5-HT1A receptors with 1-arylpiperazine structure.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Uniprot P08908
DOI: 10.7270/q2251k62
title: BindingDB Entry 50039783: Kappa agonist CovX-Bodies.

description: Small molecule binding data for protein Kappa-type opioid receptor and mu/kappa opioid receptor, Uniprot P41144 and P41145
DOI: 10.7270/q22b8zr5
title: BindingDB Entry 50037108: Pyridophens: binary pyridostigmine-aprophen prodrugs with differential inhibition of acetylcholinesterase, butyrylcholinesterase, and muscarinic receptors.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BChE), Uniprot P23795 and Q9N1N9
DOI: 10.7270/q22r3sh6
title: BindingDB Entry 50038042: Synthesis and HMG CoA reductase inhibition of 4-thiophenyl quinolines as potential hypocholesterolemic agents.

description: Small molecule binding data for protein HMG-CoA reductase, Uniprot P51639
DOI: 10.7270/q24x58vk
title: BindingDB Entry 50039790: Structure-based design of 2,6,7-trisubstituted-7H-pyrrolo[2,3-d]pyrimidines as Aurora kinases inhibitors.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Cyclin-dependent kinase 1, and Serine/threonine-protein kinase Aurora, Uniprot O14965, P06493, and Q96GD4
DOI: 10.7270/q25x29x2
title: BindingDB Entry 50039782: E297G mutated bile salt export pump (BSEP) function enhancers derived from GW4064: structural development study and separation from farnesoid X receptor-agonistic activity.

description: Small molecule binding data for protein Bile acid receptor FXR, Uniprot Q96RI1
DOI: 10.7270/q2639qff
title: BindingDB Entry 50037106: Evaluation of the Dmt-Tic pharmacophore: conversion of a potent delta-opioid receptor antagonist into a potent delta agonist and ligands with mixed properties.

description: Small molecule binding data for protein Nociceptin/mu opioid receptor and Opioid receptors; mu & delta, Uniprot P33533 and P33535
DOI: 10.7270/q26h4j7x
title: BindingDB Entry 50038041: Myricetin inhibits Escherichia coli DnaB helicase but not primase.

description: Small molecule binding data for protein DNA primase traC, Uniprot P27189
DOI: 10.7270/q29887v9
title: BindingDB Entry 50038048: Synthesis and evaluation of novel pyrazolidinone analogs of PGE2 as EP2 and EP4 receptors agonists.

description: Small molecule binding data for protein Prostaglandin E2 receptor EP2 subtype (EP2) and Prostaglandin E2 receptor EP4 subtype (EP4), Uniprot P35408 and P43116
DOI: 10.7270/q29p32kw
title: BindingDB Entry 50038958: Discovery of potent competitive inhibitors of indoleamine 2,3-dioxygenase with in vivo pharmacodynamic activity and efficacy in a mouse melanoma model.

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase, Indoleamine 2,3-dioxygenase 1, and Tryptophan 2,3-dioxygenase, Uniprot P14902, P28776, and P48775
DOI: 10.7270/q29s1rs4
title: BindingDB Entry 50037105: Novel mycophenolic adenine bis(phosphonate) analogues as potential differentiation agents against human leukemia.

description: Small molecule binding data for protein Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1) and Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2), Uniprot P12268 and P20839
DOI: 10.7270/q2f190jk
title: BindingDB Entry 50038047: Cryptadines A and B, novel C27N3-type pentacyclic alkaloids from Lycopodium cryptomerinum.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P23795
DOI: 10.7270/q2ff3t8s
title: BindingDB Entry 50038957: Novel oxadiazole analogues derived from ethacrynic acid: design, synthesis, and structure-activity relationships in inhibiting the activity of glutathione S-transferase P1-1 and cancer cell proliferation.

description: Small molecule binding data for protein Glutathione transferase (GST), Uniprot P09211 and V9HWE9
DOI: 10.7270/q2fj2hhv
title: BindingDB Entry 50037104: Expansion of structure-activity studies of piperidine analogues of 1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazine (GBR 12935) compounds by altering substitutions in the N-benzyl moiety and behavioral pharmacology of selected molecules.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Norepinephrine Monoamine transporters, and Sodium-dependent serotonin transporter, Uniprot P23977 and P31652
DOI: 10.7270/q2fx7b8b
title: BindingDB Entry 50038039: 2-Benzenesulfonyl-8a-benzyl-hexahydro-2H-isoquinolin-6-ones as selective glucocorticoid receptor antagonists.

description: Small molecule binding data for protein Glucocorticoid receptor, Uniprot P04150
DOI: 10.7270/q2j67hz2
title: BindingDB Entry 50039787: Discovery and optimization of a potent and selective triazolopyridinone series of c-Met inhibitors.

description: Small molecule binding data for protein Hepatocyte growth factor receptor, Uniprot P08581
DOI: 10.7270/q2jq11vt
title: BindingDB Entry 50038046: Androstene-3,5-dienes as ER-beta selective SERMs.

description: Small molecule binding data for protein Androgen Receptor, Estradiol receptor alpha (ERα), and Estradiol receptor beta (ERβ), Uniprot P03372, P10275, and Q92731
DOI: 10.7270/q2k35vm7
title: BindingDB Entry 50038956: Benzo[e]isoindole-1,3-diones as potential inhibitors of glycogen synthase kinase-3 (GSK-3). Synthesis, kinase inhibitory activity, zebrafish phenotype, and modeling of binding mode.

description: Small molecule binding data for protein CDK2/Cyclin A/Cyclin A1 and Glycogen synthase kinase-3, Uniprot P20248, P24941, P49841, and P78396
DOI: 10.7270/q2k93881
title: BindingDB Entry 50037103: Synthesis and optimization of a new family of type 3 17 beta-hydroxysteroid dehydrogenase inhibitors by parallel liquid-phase chemistry.

description: Small molecule binding data for protein 17-beta-hydroxysteroid dehydrogenase type 3, Uniprot P37058
DOI: 10.7270/q2nz88pg
title: BindingDB Entry 50039786: N-Acyl and N-sulfonyloxazolidine-2,4-diones are pseudo-irreversible inhibitors of serine proteases.

description: Small molecule binding data for protein Cathepsin G, Leukocyte elastase, and Leukocyte proteinase 3, Uniprot P08246, P08311, and P24158
DOI: 10.7270/q2pg1sjq
title: BindingDB Entry 50038045: N-Alkylidenearylcarboxamides as new potent and selective CB(2) cannabinoid receptor agonists with good oral bioavailability.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2pv6m96
title: BindingDB Entry 50038955: The coumarin-binding site in carbonic anhydrase accommodates structurally diverse inhibitors: the antiepileptic lacosamide as an example and lead molecule for novel classes of carbonic anhydrase inhibitors.

description: Small molecule binding data for protein Carbonic Anhydrase III, Carbonic Anhydrase VA, Carbonic Anhydrase VB, Carbonic Anhydrase XIV, Carbonic anhydrase, Carbonic anhydrase 12, Carbonic anhydrase 13 (CA XIII), Carbonic anhydrase 15, 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, Q8N1Q1, Q99N23, Q9ULX7, and Q9Y2D0
DOI: 10.7270/q2q2410r
title: BindingDB Entry 50037102: Structure-activity relationships of the melanocortin tetrapeptide Ac-His-D-Phe-Arg-Trp-NH2 at the mouse melanocortin receptors. 4. Modifications at the Trp position.

description: Small molecule binding data for protein Melanocortin receptor 1, Melanocortin receptor 3, Melanocortin receptor 4, and Melanocortin receptor 5 (MC5R), Uniprot P33033, P41149, P56450, and Q01727
DOI: 10.7270/q2sq91d6
title: BindingDB Entry 50039785: The discovery and development of selective 3-fluoro-4-aryloxyallylamine inhibitors of the amine oxidase activity of semicarbazide-sensitive amine oxidase/vascular adhesion protein-1 (SSAO/VAP-1).

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, Amine oxidase, copper containing, D-Amino Acid Oxidase (DAAO), Retina-specific amine oxidase, copper containing, and Vascular adhesion protein 1 (VAP-1), Uniprot O70423, O75106, P14920, P21397, P27338, and Q16853
DOI: 10.7270/q2t72j8f
title: BindingDB Entry 50038044: Imidazopiperidine amides as dipeptidyl peptidase IV inhibitors for the treatment of 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/q2tm7c1x
title: BindingDB Entry 50038954: Discovery of 6alpha-ethyl-23(S)-methylcholic acid (S-EMCA, INT-777) as a potent and selective agonist for the TGR5 receptor, a novel target for diabesity.

description: Small molecule binding data for protein Bile acid receptor FXR and G-protein coupled bile acid receptor 1, Uniprot Q8TDU6 and Q96RI1
DOI: 10.7270/q2xd12qr
title: BindingDB Entry 50039784: Thieno[3,2-d]pyrimidin-4(3H)-one derivatives as PDK1 inhibitors discovered by fragment-based screening.

description: Small molecule binding data for protein 3-phosphoinositide dependent protein kinase-1, Uniprot O15530
DOI: 10.7270/q2z03905
title: BindingDB Entry 50038043: Synthesis and identification of novel 11beta-aryl-4',5'-dihydrospiro[estra-4,9-diene-17beta,4'-oxazole] analogs with dissociated antiprogesterone activities.

description: Small molecule binding data for protein Glucocorticoid receptor and Progesterone receptor, Uniprot P04150 and P06401
DOI: 10.7270/q2zc83sp
title: BindingDB Entry 50038953: Theoretical and structural analysis of the active site of the transcriptional regulators LasR and TraR, using molecular docking methodology for identifying potential analogues of acyl homoserine lactones (AHLs) with anti-quorum sensing activity.

description: Small molecule binding data for protein Transcriptional activator protein lasR and Transcriptional activator protein traR, Uniprot P25084 and P33905
DOI: 10.7270/q20r9q7f
title: BindingDB Entry 50038058: Targeting cytochrome P450 enzymes: a new approach in anti-cancer drug development.

description: Small molecule binding data for protein Aryl hydrocarbon receptor, Cytochrome CYP26A1, Cytochrome P450 1A, Cytochrome P450 1A1, Cytochrome P450 1B1, Cytochrome P450 24A1, Cytochrome P450 27B1, and Sterol 26-hydroxylase, mitochondrial, Uniprot O15528, O43174, P04798, P05177, P35869, Q02318, Q07973, and Q16678
DOI: 10.7270/q2154j0s
title: BindingDB Entry 50038969: Discovery of novel selective HER-2 sheddase inhibitors through optimization of P1 moiety.

description: Small molecule binding data for protein Collagenase, Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10), Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Matrix metalloproteinase-1 (MMP1), and Stromelysin-1, Uniprot O14672, P03956, P04626, P08253, P08254, and P14780
DOI: 10.7270/q21837hf
title: BindingDB Entry 50039791: Interactions of N-{[2-(4-phenyl-piperazin-1-yl)-ethyl]-phenyl}-2-aryl-2-yl-acetamides and 1-{[2-(4-phenyl-piperazin-1-yl)-ethyl]-phenyl}-3-aryl-2-yl-ureas with dopamine D2 and 5-hydroxytryptamine 5HT(1A) receptors.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P08908 and P14416
DOI: 10.7270/q21c1xmb
title: BindingDB Entry 50037116: Synthesis and biological evaluation of 2-substituted 3beta-tolyltropane derivatives at dopamine, serotonin, and norepinephrine transporters.

description: Small molecule binding data for protein Dopamine Transporter (DAT) and Norepinephrine Monoamine transporters, Uniprot P23977
DOI: 10.7270/q21r6rct
title: BindingDB Entry 50038050: Redefining the structure-activity relationships of 2,6-methano-3-benzazocines. 5. Opioid receptor binding properties of N-((4'-phenyl)-phenethyl) analogues of 8-CAC.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, and Mu-type opioid receptor, Uniprot P35372, P41143, and P41145
DOI: 10.7270/q24x58r7
title: BindingDB Entry 50038968: Inhibitory effect of chalcones and their derivatives from Glycyrrhiza inflata on protein tyrosine phosphatase 1B.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q2542pb2
title: BindingDB Entry 50037115: Ribose-modified nucleosides as ligands for adenosine receptors: synthesis, conformational analysis, and biological evaluation of 1'-C-methyl adenosine analogues.

description: Small molecule binding data for protein Adenosine Receptors A2a (A2a), Adenosine receptor A1, and Adenosine receptor A2a and A3, Uniprot P25099, P28647, and P30543
DOI: 10.7270/q25h7h40
title: BindingDB Entry 50038049: A phosphorylated prodrug for the inhibition of Pin1.

description: Small molecule binding data for protein Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Uniprot Q13526
DOI: 10.7270/q25x29v5
title: BindingDB Entry 50038959: Pyrrolidine analogues of lobelane: relationship of affinity for the dihydrotetrabenazine binding site with function of the vesicular monoamine transporter 2 (VMAT2).

description: Small molecule binding data for protein Vesicular monoamine transporter 2 (VMAT2), Uniprot Q01827
DOI: 10.7270/q28916qg
title: BindingDB Entry 50038056: Carbonic anhydrases as targets for medicinal chemistry.

description: Small molecule binding data for protein Carbonic Anhydrase III, Carbonic Anhydrase IV, 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, Q95323, Q9D6N1, Q9ULX7, and Q9Y2D0
DOI: 10.7270/q28p61gz
title: BindingDB Entry 50038967: Multiple strategies for the preparation of a sulfur-35 labeled NPC1L1 radioligand.

description: Small molecule binding data for protein Niemann-Pick C1-like protein 1, Uniprot Q6T3U3, Q6T3U4, and Q9UHC9
DOI: 10.7270/q28p61jv
title: BindingDB Entry 50039789: N-Methyl-3-(tetrahydro-2H-pyran-4-yl)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamides as a novel class of cannabinoid receptors agonists with low CNS penetration.

description: Small molecule binding data for protein Cannabinoid receptor 1, Cannabinoid receptor 2, Cytochrome P450 2C9, and Voltage-gated potassium channel, Uniprot P11712, P21554, P34972, and Q12809
DOI: 10.7270/q28w3f11
title: BindingDB Entry 50037114: 3-(1H-Pyrrol-1-yl)-2-oxazolidinones as reversible, highly potent, and selective inhibitors of monoamine oxidase type A.

description: Small molecule binding data for protein Monoamine oxidase, Uniprot P21398 and P56560
DOI: 10.7270/q2cf9r4t
title: BindingDB Entry 50039796: 7-Azabicyclo[2.2.1]heptane as a scaffold for the development of selective sigma-2 (s2) receptor ligands.

description: Small molecule binding data for protein Adrenergic alpha1B, Alpha-2B adrenergic receptor, Alpha-2C adrenergic receptor, Dopamine D5 receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Histamine receptor (H3), Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M1/M5 chimeric protein, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M2 and M4, OPIATE Sigma, Serotonin and norepinephrine transporters (SERT/NET), and Sodium-dependent dopamine transporter, Uniprot P08172, P08173, P08912, P11229, P14416, P18089, P18825, P20309, P21918, P31645, P35368, P35462, Q01959, Q4W594, Q9R0C9, and Q9Y5N1
DOI: 10.7270/q2d21zft
title: BindingDB Entry 50038055: Resisting degradation by human elastase: commonality of design features shared by 'canonical' plant and bacterial macrocyclic protease inhibitor scaffolds.

description: Small molecule binding data for protein Leukocyte elastase, Uniprot P08246
DOI: 10.7270/q2df6s5v
title: BindingDB Entry 50038965: Diazen-1-ium-1,2-diolated nitric oxide donor ester prodrugs of 5-(4-carboxymethylphenyl)-1-(4-methanesulfonylphenyl)-3-trifluoromethyl-1H-pyrazole and its aminosulfonyl analog: Synthesis, biological evaluation and nitric oxide release studies.

description: Small molecule binding data for protein Cyclooxygenase and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P35354
DOI: 10.7270/q2df6s7r
title: BindingDB Entry 50039788: Discovery of novel EGFR tyrosine kinase inhibitors by structure-based virtual screening.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2dj5gcg
title: BindingDB Entry 50037113: Serine-threonine protein phosphatase inhibitors: development of potential therapeutic strategies.

description: Small molecule binding data for protein Serine-threonine protein phosphatase 2A regulatory subunit and Serine/threonine protein phosphatase PP1-gamma catalytic subunit, Uniprot P36873
DOI: 10.7270/q2ht2q4s
title: BindingDB Entry 50038054: Pharmacophore identification of KSP inhibitors.

description: Small molecule binding data for protein Kinesin-like protein 1, Uniprot P52732
DOI: 10.7270/q2j67hvq
title: BindingDB Entry 50038964: Physical binding pocket induction for affinity prediction.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Uniprot P08908
DOI: 10.7270/q2j96736
title: BindingDB Entry 50037112: Synthesis and nicotinic binding studies on enantiopure diazine analogues of the novel (2-chloro-5-pyridyl)-9-azabicyclo[4.2.1]non-2-ene UB-165.

description: Small molecule binding data for protein Neuronal acetylcholine receptor, Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, and Neuronal acetylcholine receptor subunit beta-4, Uniprot P09483, P12390, P12392, and Q05941