cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q22v2f3b
title: BindingDB Entry 50000254: Synthesis of novel MPTP analogs as potential monoamine oxidase B (MAO-B) inhibitors.

description: Small molecule binding data for protein Monoamine oxidase, Uniprot P56560
DOI: 10.7270/q22z14pw
title: BindingDB Entry 50007618: Enhancement of oral absorption in selective 5-HT1D receptor agonists: fluorinated 3-[3-(piperidin-1-yl)propyl]indoles.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1D, Uniprot P28221
DOI: 10.7270/q23777rc
title: BindingDB Entry 50005149: Decapeptide agonists of human C5a: the relationship between conformation and neutrophil response.

description: Small molecule binding data for protein C5a anaphylatoxin chemotactic receptor (C5aR), Uniprot P21730
DOI: 10.7270/q2610zcb
title: BindingDB Entry 50005168: Acylshikonin analogues: synthesis and inhibition of DNA topoisomerase-I.

description: Small molecule binding data for protein DNA topoisomerase I (Topo I), Uniprot P11387
DOI: 10.7270/q2639nmv
title: BindingDB Entry 7976: Methods of treatment of histamine H-4 receptor-related pruritus associated with nerve disorders

description: Small molecule binding data for protein Histamine H1 receptor and Histamine receptor (H4), Uniprot P35367 and Q9H3N8
DOI: 10.7270/q26m35s6
title: BindingDB Entry 50000249: Inhibition of hog liver folylpolyglutamate synthetase by 5-substituted 5,8-dideaza analogues of folic acid bearing a terminal L-ornithine residue.

description: Small molecule binding data for protein Folylpoly-gamma-glutamate synthetase, Uniprot Q05932
DOI: 10.7270/q26q1wd7
title: BindingDB Entry 50007613: Nitroaromatic amino acids as inhibitors of neuronal nitric oxide synthase.

description: Small molecule binding data for protein Nitric Oxide Synthase, endothelial, Nitric Oxide Synthase, inducible, and Nitric-oxide synthase, brain, Uniprot P29473, P29476, and P29477
DOI: 10.7270/q27080fn
title: BindingDB Entry 50005148: Nonclassical 2,4-diamino-6-(aminomethyl)-5,6,7,8-tetrahydroquinazoline antifolates: synthesis and biological activities.

description: Small molecule binding data for protein Dihydrofolate Reductase (DHFR), Dihydrofolate reductase, and Dihydrofolate reductase (DHFR), Uniprot P16184, Q07422, and Q920D2
DOI: 10.7270/q29s1q29
title: BindingDB Entry 50005165: Synthesis and biological activity of 7-alkylidenecephems.

description: Small molecule binding data for protein Beta-lactamase and Beta-lactamase (TEM-1), Uniprot P05364 and P62593
DOI: 10.7270/q2bc3xhj
title: BindingDB Entry 50000247: Synthesis, chemical, and biological properties of vinylogous hydroxamic acids: dual inhibitors of 5-lipoxygenase and IL-1 biosynthesis.

description: Small molecule binding data for protein Arachidonate 5-lipoxygenase, Uniprot P12527
DOI: 10.7270/q2bg2n4z
title: BindingDB Entry 50007611: In vitro platelet-activating factor receptor binding inhibitory activity of pinusolide derivatives: a structure-activity study.

description: Small molecule binding data for protein Platelet activating factor receptor, Uniprot P21556
DOI: 10.7270/q2fn152j
title: BindingDB Entry 7974: Tropomyosin-related kinase inhibitors

description: Small molecule binding data for protein Tyrosine kinase receptor A (TrkA)
DOI: 10.7270/q2g44p8q
title: BindingDB Entry 50000245: New nonpeptide angiotensin II receptor antagonists. 2. Synthesis, biological properties, and structure-activity relationships of 2-alkyl-4-(biphenylylmethoxy)quinoline derivatives.

description: Small molecule binding data for protein Type-1 angiotensin II receptor, Uniprot Q9WV26
DOI: 10.7270/q2g73ctt
title: BindingDB Entry 50007607: Synthesis and biological evaluations of 3-substituted indolin-2-ones: a novel class of tyrosine kinase inhibitors that exhibit selectivity toward particular receptor tyrosine kinases.

description: Small molecule binding data for protein Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Insulin-like growth factor I receptor, Platelet-derived growth factor receptor beta, and Vascular endothelial growth factor receptor 1, Uniprot P00533, P04626, P08069, P09619, and P35969
DOI: 10.7270/q2jd4vn3
title: BindingDB Entry 7981: Pyrrolo[2,3-B]pyrazines as SYK inhibitors

description: Small molecule binding data for protein SYK RPA purified, truncated construct of Spleen Tyrosine Kinase aa 360-635
DOI: 10.7270/q2jw8cvb
title: BindingDB Entry 50000268: Thromboxane receptor antagonism combined with thromboxane synthase inhibition. 3. Pyridinylalkyl-substituted 8-[(arylsulfonyl)amino]octanoic acids.

description: Small molecule binding data for protein Thromboxane A2 Synthase (P450 TxA2), Uniprot P24557
DOI: 10.7270/q2k64h31
title: BindingDB Entry 50005161: 14 beta-[(p-nitrocinnamoyl)amino]morphinones, 14 beta-[(p-nitrocinnamoyl)amino]-7,8-dihydromorphinones, and their codeinone analogues: synthesis and receptor activity.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, and Mu opioid receptor, Uniprot P41143, P41145, and P79350
DOI: 10.7270/q2kd1wsg
title: BindingDB Entry 7973: Pyrimidinone derivatives as antimalarial agents

description: Small molecule binding data for protein p110α/p85α, Uniprot P27986 and P42336
DOI: 10.7270/q2kw5f1k
title: BindingDB Entry 50000244: Novel functional M1 selective muscarinic agonists. 2. Synthesis and structure-activity relationships of 3-pyrazinyl-1,2,5,6-tetrahydro-1-methylpyridines. Construction of a molecular model for the M1 pharmacophore.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1, Uniprot P08482 and P11229
DOI: 10.7270/q2kw5f6t
title: BindingDB Entry 50007605: Carbocyclic analogues of the potent cytidine deaminase inhibitor 1-(beta-D-ribofuranosyl)-1,2-dihydropyrimidin-2-one (zebularine).

description: Small molecule binding data for protein Cytidine deaminase (CDA), Uniprot P32320
DOI: 10.7270/q2p55mct
title: BindingDB Entry 7980: Purine derivatives and their use in the treatment of disease

description: Small molecule binding data for protein Serine/threonine-protein kinase mTOR, Uniprot P42345
DOI: 10.7270/q2pn94mh
title: BindingDB Entry 50000266: Synthesis and biological evaluation of conformationally restricted 2-(1-pyrrolidinyl)-N-[2-(3,4-dichlorophenyl)ethyl]-N-methylethylenediam ines as sigma receptor ligands. 1. Pyrrolidine, piperidine, homopiperidine, and tetrahydroisoquinoline classes.

description: Small molecule binding data for protein Sigma, Uniprot Q99720
DOI: 10.7270/q2pn94sr
title: BindingDB Entry 50007626: Selective endothelin A receptor antagonists. 4. Discovery and structure-activity relationships of stilbene acid and alcohol derivatives.

description: Small molecule binding data for protein EDNRA, Uniprot P26684
DOI: 10.7270/q2pz57vg
title: BindingDB Entry 50005160: Synthesis and biological evaluation of cholecystokinin analogs in which the Asp-Phe-NH2 moiety has been replaced by a 3-amino-7-phenylheptanoic acid or a 3-amino-6-(phenyloxy)hexanoic acid.

description: Small molecule binding data for protein CCKBR, Cholecystokinin receptor, and Pancreatic alpha-amylase (HPA), Uniprot P04746, P30553, and P32239
DOI: 10.7270/q2qn65wp
title: BindingDB Entry 50007602: Synthesis and evaluation of analogues of the partial agonist 6-(propyloxy)-4-(methoxymethyl)-beta-carboline-3-carboxylic acid ethyl ester (6-PBC) and the full agonist 6-(benzyloxy)-4-(methoxymethyl)-beta-carboline-3-carboxylic acid ethyl ester (Zk 93423) at wild type and recombinant GABAA receptors

description: Small molecule binding data for protein GABA receptor alpha-1/beta-3/gamma-2 subunit, GABA receptor alpha-2/beta-3/gamma-2 subunit, GABA receptor alpha-3/beta-3/gamma-2 subunit, GABA receptor alpha-5/beta-3/gamma-2 subunit, and GABA receptor alpha-6/beta-3/gamma-2 subunit, Uniprot P14867, P18507, P28472, P31644, P34903, P47869, and Q16445
DOI: 10.7270/q2sx6c37
title: BindingDB Entry 7979: 4-amino-imidazoquinoline compounds

description: Small molecule binding data for protein Toll-like receptor 7 (TLR7) and Toll-like receptor 8 (TLR8), Uniprot Q9NR97 and Q9NYK1
DOI: 10.7270/q2td9w9d
title: BindingDB Entry 50000265: Effect of conformational mobility and hydrogen-bonding interactions on the selectivity of some guanidinoaryl-substituted mechanism-based inhibitors of trypsin-like serine proteases.

description: Small molecule binding data for protein Alpha-chymotrypsin, Plasminogen, Prothrombin, Tissue-type plasminogen activator, Trypsin, and Urokinase-type plasminogen activator, Uniprot P00734, P00747, P00749, P00750, P00760, and P00766
DOI: 10.7270/q2td9wgn
title: BindingDB Entry 50007623: Synthesis and evaluation of a series of novel 2-[(4-chlorophenoxy)methyl]benzimidazoles as selective neuropeptide Y Y1 receptor antagonists.

description: Small molecule binding data for protein Neuropeptide Y receptor type 1, Uniprot P25929
DOI: 10.7270/q2tq60k6
title: BindingDB Entry 50005158: Studies on neurokinin antagonists. 3. Design and structure-activity relationships of new branched tripeptides N alpha-(substituted L-aspartyl, L-ornithyl, or L-lysyl)-N-methyl-N-(phenylmethyl)-L-phenylalaninamides as substance P antagonists.

description: Small molecule binding data for protein Neurokinin 1 receptor, Uniprot P30547
DOI: 10.7270/q2vd6xkk
title: BindingDB Entry 50007601: Design and synthesis of m1-selective muscarinic agonists: (R)-(-)-(Z)-1-Azabicyclo[2.2.1]heptan-3-one, O-(3-(3'-methoxyphenyl)-2-propynyl)oxime maleate (CI-1017), a functionally m1-selective muscarinic agonist.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, and Muscarinic acetylcholine receptor M2 and M4, Uniprot P08172, P08173, and P11229
DOI: 10.7270/q2xp73tj
title: BindingDB Entry 7978: Inhibitors of human EZH2, and methods of use thereof

description: Small molecule binding data for protein Histone-lysine N-methyltransferase EZH2, Uniprot Q15910
DOI: 10.7270/q2z60n07
title: BindingDB Entry 50000260: Analogs of CCK incorporating conformationally constrained replacements for Asp32.

description: Small molecule binding data for protein Cholecystokinin B receptor and Cholecystokinin receptor, Uniprot P30551, P32238, and P79266
DOI: 10.7270/q2z60n6x
title: BindingDB Entry 50007621: Design, synthesis, and biological activities of potent and selective somatostatin analogues incorporating novel peptoid residues.

description: Small molecule binding data for protein Somatostatin receptor, Uniprot P30872, P30874, P31391, P32745, and P35346
DOI: 10.7270/q2zg6r9j
title: BindingDB Entry 50005152: Non-nucleoside inhibitors of HIV-1 reverse transcriptase: molecular modeling and X-ray structure investigations.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 reverse transcriptase
DOI: 10.7270/q21835j2
title: BindingDB Entry 50005202: Opioid receptor binding requirements for the delta-selective peptide deltorphin. I: Phe3 replacement with ring-substituted and heterocyclic amino acids.

description: Small molecule binding data for protein Delta-type opioid receptor and mu/kappa opioid receptor, Uniprot P41143, P41144, and P97266
DOI: 10.7270/q21g0k51
title: BindingDB Entry 7985: Efficient synthesis of novel dialkyl-3-cyanopropylphosphate derivatives and evaluation of their anticholinesterase activity

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BChE), Uniprot O42275 and Q9N1N9
DOI: 10.7270/q21z43bt
title: BindingDB Entry 50000284: 2-(N'-alkylidenehydrazino)adenosines: potent and selective coronary vasodilators.

description: Small molecule binding data for protein Adenosine A1 receptor, Uniprot P47745
DOI: 10.7270/q21z43jh
title: BindingDB Entry 50007634: Styrylquinoline derivatives: a new class of potent HIV-1 integrase inhibitors that block HIV-1 replication in CEM cells.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 integrase
DOI: 10.7270/q22806n0
title: BindingDB Entry 50005171: Second-generation leukotriene B4 receptor antagonists related to SC-41930: heterocyclic replacement of the methyl ketone pharmacophore.

description: Small molecule binding data for protein LTB4R, Uniprot Q15722
DOI: 10.7270/q2513x8d
title: BindingDB Entry 50005194: Novel modified carboxy terminal fragments of neuropeptide Y with high affinity for Y2-type receptors and potent functional antagonism at a Y1-type receptor.

description: Small molecule binding data for protein NPY2R
DOI: 10.7270/q25719wb
title: BindingDB Entry 7984: Compounds and methods for treating ocular diseases

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/q25m64p8
title: BindingDB Entry 50000283: Synthesis and structure-activity relationships of acetylcholinesterase inhibitors: 1-benzyl-4-(2-phthalimidoethyl)piperidine and related derivatives.

description: Small molecule binding data for protein Acetylcholinesterase and Acetylcholinesterase and butyrylcholinesterase (AChE and BChE), Uniprot P21836
DOI: 10.7270/q25q4v7d
title: BindingDB Entry 50007633: Derivatives of the triazoloquinazoline adenosine antagonist (CGS 15943) having high potency at the human A2B and A3 receptor subtypes.

description: Small molecule binding data for protein Adenosine Receptors A2a (A2a), Adenosine receptor A1, Adenosine receptor A2b, and Adenosine receptor A3, Uniprot P0DMS8, P25099, P29275, and P30543
DOI: 10.7270/q28s4p0t
title: BindingDB Entry 50005187: Design, synthesis, and structure--activity relationship studies for a new imidazole series of J774 macrophage specific acyl-CoA:cholesterol acyltransferase (ACAT) inhibitors.

description: Small molecule binding data for protein Sterol O-acyltransferase, Soat, Uniprot O70536
DOI: 10.7270/q28w3c50
title: BindingDB Entry 7983: Process for making isoquinoline compounds

description: Small molecule binding data for protein Egl nine homolog 1, Uniprot Q9GZT9
DOI: 10.7270/q29c6wc5
title: BindingDB Entry 50000282: Synthesis and serotonergic pharmacology of the enantiomers of 3-[(N-methylpyrrolidin-2-yl)methyl]-5-methoxy-1H-indole: discovery of stereogenic differentiation in the aminoethyl side chain of the neurotransmitter serotonin.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1B, Serotonin 1d (5-HT1d) receptor, and Serotonin receptor 2a and 2c (5HT2A and 5HT2C), Uniprot P08908, P08909, P28222, and Q60484
DOI: 10.7270/q29g5kzq
title: BindingDB Entry 50007631: Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 1. Michael acceptor structure-activity studies.

description: Small molecule binding data for protein Human rhinovirus A protease
DOI: 10.7270/q2cn72sc
title: BindingDB Entry 7990: The different inhibition mechanisms of OXA-1 and OXA-24 β-lactamases are determined by the stability of active site carboxylated lysine.

description: Small molecule binding data for protein Beta-lactamase and Class D β-lactamase (OXA-1), Uniprot P13661, Q83ZU9, and Q8RLA6
DOI: 10.7270/q2dj5dpp
title: BindingDB Entry 50005185: Novel thiazole based heterocycles as inhibitors of LFA-1/ICAM-1 mediated cell adhesion.

description: Small molecule binding data for protein Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha, Uniprot P05107 and P20701
DOI: 10.7270/q2dn43w9
title: BindingDB Entry 7982: Heterocyclic modulators of cannabinoid receptors

description: Small molecule binding data for protein Cannabinoid receptor, Cannabinoid receptor 1, Cannabinoid receptor 2, and Cannabinoid receptor 2 (CB2), Uniprot P20272, P21554, P34972, and Q9QZN9
DOI: 10.7270/q2f47n3w
title: BindingDB Entry 50000269: Thromboxane receptor antagonism combined with thromboxane synthase inhibition. 4. 8-[[(4-Chlorophenyl)sulfonyl]amino]-4-(3-(3-pyridinyl) propyl)octanoic acid and analogs.

description: Small molecule binding data for protein Thromboxane A2 Synthase (P450 TxA2), Uniprot P24557
DOI: 10.7270/q2f76bpf
title: BindingDB Entry 50007630: Tripeptide aldehyde inhibitors of human rhinovirus 3C protease: design, synthesis, biological evaluation, and cocrystal structure solution of P1 glutamine isosteric replacements.

description: Small molecule binding data for protein Human rhinovirus A protease
DOI: 10.7270/q2ff3rdr
title: BindingDB Entry 50005163: [[(Guaninylalkyl)phosphinico]methyl]phosphonic acids. Multisubstrate analogue inhibitors of human erythrocyte purine nucleoside phosphorylase.

description: Small molecule binding data for protein Purine nucleoside phosphorylase, Uniprot P00491
DOI: 10.7270/q2hd7thq
title: BindingDB Entry 7989: A novel sirtuin 2 (SIRT2) inhibitor with p53-dependent pro-apoptotic activity in non-small cell lung cancer.

description: Small molecule binding data for protein NAD-Dependent Deacetylase Sirtuin-1 and NAD-dependent deacetylase sirtuin 2, Uniprot Q8IXJ6 and Q96EB6
DOI: 10.7270/q2j102b7
title: BindingDB Entry 50007652: Bis-substituted malonic acid hydroxamate derivatives as inhibitors of human neutrophil collagenase (MMP8).

description: Small molecule binding data for protein Matrix Metalloproteinase-8 (MMP-8), Uniprot P22894
DOI: 10.7270/q2j67fz7
title: BindingDB Entry 50005183: Quinazoline antifolate thymidylate synthase inhibitors: replacement of glutamic acid in the C2-methyl series.

description: Small molecule binding data for protein Thymidylate synthase, Uniprot P07607
DOI: 10.7270/q2k073cq
title: BindingDB Entry 50007628: Synthesis and pharmacological characterization of novel 6-fluorochroman derivatives as potential 5-HT1A receptor antagonists.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor and Serotonin (5-HT) receptor, Uniprot P19327 and P61169
DOI: 10.7270/q2n58k7f
title: BindingDB Entry 7988: Structure-guided development of specific pyruvate dehydrogenase kinase inhibitors targeting the ATP-binding pocket.

description: Small molecule binding data for protein Heat-shock protein 90 (Hsp90), Pyruvate dehydrogenase kinase 3 (PDK3), Pyruvate dehydrogenase kinase 4 (PDK4), Pyruvate dehydrogenase kinase isoenzyme 1 (PDK1), and Pyruvate dehydrogenase kinase isoform 2 (PDHK2), Uniprot Q15118, Q15119, Q15120, and Q16654
DOI: 10.7270/q2np23cb
title: BindingDB Entry 50000295: Synthesis, configuration, and activity of isomeric 2-phenyl-2-(N-piperidinyl)bicyclo[3.1.0]hexanes at phencyclidine and sigma binding sites.

description: Small molecule binding data for protein Glutamate-NMDA and Sigma, Uniprot P35439 and Q99720
DOI: 10.7270/q2ns0t1t
title: BindingDB Entry 50007642: Indole-2-carboxamide inhibitors of human liver glycogen phosphorylase.

description: Small molecule binding data for protein Glycogen Phosphorylase (PYGL), Uniprot P06737
DOI: 10.7270/q2nz86n6
title: BindingDB Entry 50005179: Stereoselective LSD-like activity in a series of d-lysergic acid amides of (R)- and (S)-2-aminoalkanes.

description: Small molecule binding data for protein Serotonin (5-HT) receptor, Uniprot P14842 and P19327
DOI: 10.7270/q2rx99zf
title: BindingDB Entry 7987: Tetrahydroacridine derivatives with fluorobenzoic acid moiety as multifunctional agents for Alzheimer's disease treatment.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BChE), Uniprot O42275 and Q9N1N9
DOI: 10.7270/q2sf2v44
title: BindingDB Entry 50000291: Non-peptide fibrinogen receptor antagonists. 1. Discovery and design of exosite inhibitors.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha5, Integrin alpha-IIb/beta-3, and Integrin beta-3/Vitronectin receptor alpha, Uniprot P05106, P05556, P06756, P08514, and P08648
DOI: 10.7270/q2sq8zd0
title: BindingDB Entry 50005177: High affinity and selectivity on 5-HT1A receptor of 1-aryl-4-[1-tetralin)alkyl]piperazines. 2.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Serotonin (5-HT) receptor, and Sigma, Uniprot P19327, P61169, and Q99720
DOI: 10.7270/q2wq02pq
title: BindingDB Entry 7986: Design & synthesis of novel oxazolone & triazinone derivatives and their biological evaluation as COX-2 inhibitors.

description: Small molecule binding data for protein Prostaglandin G/H synthase (Cyclooxygenase-2) and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P79208
DOI: 10.7270/q2x63kww
title: BindingDB Entry 50000286: Dihydroxynitrobenzaldehydes and hydroxymethoxynitrobenzaldehydes: synthesis and biological activity as catechol-O-methyltransferase inhibitors.

description: Small molecule binding data for protein Catechol O-methyltransferase, Uniprot Q99028
DOI: 10.7270/q2x63m2j
title: BindingDB Entry 50007637: beta-Lactam derivatives as inhibitors of human cytomegalovirus protease.

description: Small molecule binding data for protein Alpha-chymotrypsin, Human rhinovirus A protease, and Leukocyte elastase, Uniprot P00766 and P08246
DOI: 10.7270/q2xg9q55
title: BindingDB Entry 50005174: Rigid analogs of camptothecin as DNA topoisomerase I inhibitors.

description: Small molecule binding data for protein DNA topoisomerase I (Topo I), Uniprot P11387
DOI: 10.7270/q20864bs
title: BindingDB Entry 50005214: Discovery and structure-activity relationships of sulfonamide ETA-selective antagonists.

description: Small molecule binding data for protein EDNRA, Uniprot P26684
DOI: 10.7270/q20g3j1n
title: BindingDB Entry 7993: Differential Coupling of Binding, ATP Hydrolysis, and Transport of Fluorescent Probes with P-Glycoprotein in Lipid Nanodiscs.

description: Small molecule binding data for protein P-gp nanodisc·BD-vinblastine, Uniprot P21447
DOI: 10.7270/q20z728b
title: BindingDB Entry 50000326: Probing the molecular basis of resistance to pyrimethamine by site-directed mutagenesis.

description: Small molecule binding data for protein Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 and Dihydrofolate reductase, Uniprot P13922
DOI: 10.7270/q20z72d4
title: BindingDB Entry 50007671: Pyrrolidine-3-carboxylic acids as endothelin antagonists. 3. Discovery of a potent, 2-nonaryl, highly selective ETA antagonist (A-216546).

description: Small molecule binding data for protein EDNRA and EDNRB, Uniprot P24530, P25101, and P26684
DOI: 10.7270/q2416w3k
title: BindingDB Entry 50005213: Electrophilic N-benzylnaltrindoles as delta opioid receptor-selective antagonists.

description: Small molecule binding data for protein Delta-type opioid receptor and mu/kappa opioid receptor, Uniprot P41143, P41144, and P97266
DOI: 10.7270/q24748rz
title: BindingDB Entry 7992: Identification and structure-activity relationship of purine derivatives as novel MTH1 inhibitors.

description: Small molecule binding data for protein MutT homolog 1 protein (MTH1), Uniprot P36639
DOI: 10.7270/q24q7szt
title: BindingDB Entry 50000321: Stereoisomers of ketoconazole: preparation and biological activity.

description: Small molecule binding data for protein Aromatase (CYP19), Cytochrome P450 11A1, Cytochrome P450 11B1, Cytochrome P450 21, Cytochrome P450 2A2, Cytochrome P450 2C11, Cytochrome P450 3A, Cytochrome P450 51, and Cytochrome P450 7A1, Uniprot P08683, P08684, P08686, P11511, P14137, P15149, P15150, P18125, and Q64654
DOI: 10.7270/q24q7t4g
title: BindingDB Entry 50007665: Design and synthesis of a series of potent and orally bioavailable noncovalent thrombin inhibitors that utilize nonbasic groups in the P1 position.

description: Small molecule binding data for protein Alpha-chymotrypsin, Plasma kallikrein (KLKB1), Plasminogen, Prothrombin, Tissue-type plasminogen activator, and Trypsin-1, Uniprot P00734, P00747, P00750, P00766, P03952, and P07477
DOI: 10.7270/q270809v
title: BindingDB Entry 7999: Selective β-glucuronidase inhibitors as a treatment for side effects of camptothecin antineoplastic agents

description: Small molecule binding data for protein beta-Glucuronidase (β-glucuronidase), Uniprot P08236