cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2dz097v
title: BindingDB Entry 50039051: Development of potent and selective inhibitors of ecto-5'-nucleotidase based on an anthraquinone scaffold.

description: Small molecule binding data for protein Ecto-5'-nucleotidase (e5'NT), Ectonucleoside triphosphate diphosphohydrolase 1, Ectonucleoside triphosphate diphosphohydrolase 2, Ectonucleoside triphosphate diphosphohydrolase 3, Nucleoside triphosphate diphosphohydrolase 3, Purinergic receptor P2Y2, Pyrimidinergic receptor P2Y4, and Pyrimidinergic receptor P2Y6, Uniprot O35795, O75355, P21588, P41231, P49961, P51582, P97687, Q63371, and Q9Y5L3
DOI: 10.7270/q2fx7bg1
title: BindingDB Entry 50039865: MK-8825: a potent and selective CGRP receptor antagonist with good oral activity in rats.

description: Small molecule binding data for protein Adrenomedullin receptor AM1, CALCRL/RAMP2, Amylin receptor AMY3; CALCR/RAMP3, Calcitonin gene-related peptide type 1 receptor, Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1, Calcitonin receptor, Calcium channel (Type L), Voltage-gated potassium channel beta subunit Mink, and Voltage-gated sodium channel subunit Nav1.5, Uniprot O60894, O60895, O60896, P15382, P30988, Q13936, Q14524, Q16602, Q63118, and Q9R1W5
DOI: 10.7270/q2h132rf
title: BindingDB Entry 50037183: Synthesis and pharmacological evaluation of potent and highly selective D3 receptor ligands: inhibition of cocaine-seeking behavior and the role of dopamine D3/D2 receptors.

description: Small molecule binding data for protein Adrenergic receptor alpha, Alpha-1A adrenergic receptor, DOPAMINE, Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Dopamine receptor, and Serotonin (5-HT) receptor, Uniprot P18901, P19020, P19327, P22909, P35462, P43140, and P61169
DOI: 10.7270/q2jq11z5
title: BindingDB Entry 50039050: Toward biophysical probes for the 5-HT3 receptor: structure-activity relationship study of granisetron derivatives.

description: Small molecule binding data for protein Serotonin 3 (5-HT3) receptor, Uniprot P46098
DOI: 10.7270/q2k938dt
title: BindingDB Entry 50038131: Influence of sulfur oxidation state and steric bulk upon trifluoromethyl ketone (TFK) binding kinetics to carboxylesterases and fatty acid amide hydrolase (FAAH).

description: Small molecule binding data for protein Acyl-CoA: cholesterol acyltransferase (ACAT), Carboxylesterase, Carboxylesterase 2, Fatty-acid amide hydrolase 1 (FAAH), and Juvenile hormone esterase (JHE), Uniprot O00519, O00748, P23141, and Q29550
DOI: 10.7270/q2kp836r
title: BindingDB Entry 50039864: Synthesis, in vitro and in silico screening of ethyl 2-(6-substituted benzo[d]thiazol-2-ylamino)-2-oxoacetates as protein-tyrosine phosphatase 1B inhibitors.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q2ms3tgg
title: BindingDB Entry 50037182: 3'-C-branched-chain-substituted nucleosides and nucleotides as potent inhibitors of Mycobacterium tuberculosis thymidine monophosphate kinase.

description: Small molecule binding data for protein Thymidine kinase, cytosolic and Thymidylate kinase, Uniprot P04183 and P9WKE1
DOI: 10.7270/q2p27005
title: BindingDB Entry 50038138: Structure-based design of novel groups for use in the P1 position of thrombin inhibitor scaffolds. Part 2: N-acetamidoimidazoles.

description: Small molecule binding data for protein Prothrombin, Uniprot P00734
DOI: 10.7270/q2pg1sph
title: BindingDB Entry 50039049: Synthesis and biological evaluation of polysulfated oligosaccharide glycosides as inhibitors of angiogenesis and tumor growth.

description: Small molecule binding data for protein Acidic fibroblast growth factor, Basic fibroblast growth factor, Heparanase, and Vascular endothelial growth factor A, Uniprot P05230, P09038, P15692, and Q9Y251
DOI: 10.7270/q2pg1srd
title: BindingDB Entry 50039871: The design and synthesis of novel, potent and orally bioavailable N-aryl piperazine-1-carboxamide CCR2 antagonists with very high hERG selectivity.

description: Small molecule binding data for protein C-C chemokine receptor type 2, C-C chemokine receptor type 5, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Voltage-gated potassium channel, Uniprot O55193, O95950, P08684, P10635, P41597, P51681, P51683, and Q12809
DOI: 10.7270/q2qf8txp
title: BindingDB Entry 50039863: Synthesis, biological evaluation and 3D-QSAR studies of novel 4,5-dihydro-1H-pyrazole niacinamide derivatives as BRAF inhibitors.

description: Small molecule binding data for protein RAF serine/threonine protein kinase, Uniprot P15056
DOI: 10.7270/q2rj4k66
title: BindingDB Entry 50037181: Fluorine substitution can block CYP3A4 metabolism-dependent inhibition: identification of (S)-N-[1-(4-fluoro-3- morpholin-4-ylphenyl)ethyl]-3- (4-fluorophenyl)acrylamide as an orally bioavailable KCNQ2 opener devoid of CYP3A4 metabolism-dependent inhibition.

description: Small molecule binding data for protein Aromatase (CYP19), Cytochrome P450 1A, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and KCNQ (Kv7) potassium channel, Uniprot O43526, P05177, P08684, P10635, P11511, and P11712
DOI: 10.7270/q2s75h99
title: BindingDB Entry 50039056: Searching for multi-target antipsychotics: Discovery of orally active heterocyclic N-phenylpiperazine ligands of D2-like and 5-HT1A receptors.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Dopamine receptor D2L/neurotensin receptor NTS1, Dopamine receptors; D2 & D4, and Serotonin (5-HT) receptor, Uniprot P08908, P14416, P14842, P19327, and P21917
DOI: 10.7270/q2st7qpb
title: BindingDB Entry 50038137: Azetidine-2,4-diones (4-oxo-beta-lactams) as scaffolds for designing elastase inhibitors.

description: Small molecule binding data for protein Leukocyte elastase, Uniprot P08246
DOI: 10.7270/q2t72jg4
title: BindingDB Entry 50039870: Identification, optimisation and in vivo evaluation of oxadiazole DGAT-1 inhibitors for the treatment of obesity and diabetes.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Diacyl Glycerolacyltransferase 1 (DGAT-1), Diacylglycerol O-acyltransferase 1, Diacylglycerol O-acyltransferase 1 (DGAT1), and Voltage-gated potassium channel, Uniprot O75907, P05177, P08684, P10635, P11712, P33261, Q12809, Q9ERM3, and Q9Z2A7
DOI: 10.7270/q2v69knd
title: BindingDB Entry 50039862: Inhibition of thioredoxin reductase by a novel series of bis-1,2-benzisoselenazol-3(2H)-ones: Organoselenium compounds for cancer therapy.

description: Small molecule binding data for protein Thioredoxin reductase 1, cytoplasmic, Uniprot O89049
DOI: 10.7270/q2w959xh
title: BindingDB Entry 50037180: N6-substituted D-4'-thioadenosine-5'-methyluronamides: potent and selective agonists at the human A3 adenosine receptor.

description: Small molecule binding data for protein Adenosine receptor A2a and A3, Uniprot P28647
DOI: 10.7270/q2xg9s0r
title: BindingDB Entry 50038136: Discovery of a potent, selective, and orally active proteasome inhibitor for the treatment of cancer.

description: Small molecule binding data for protein Cathepsin G, Chymase, Cytochrome P450 3A, and Leukocyte elastase, Uniprot P08246, P08311, P08684, and P23946
DOI: 10.7270/q2028s9w
title: BindingDB Entry 50037187: Oxindole-based compounds are selective inhibitors of Plasmodium falciparum cyclin dependent protein kinases.

description: Small molecule binding data for protein Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3 and Protein kinase Pfmrk, Uniprot O95067, P06493, P14635, and Q8WWL7
DOI: 10.7270/q20r9qc7
title: BindingDB Entry 50039062: Synthesis, biological activity, and molecular modeling studies of 1H-1,2,3-triazole derivatives of carbohydrates as alpha-glucosidases inhibitors.

description: Small molecule binding data for protein Alpha-glucosidase MAL12, Uniprot P53341
DOI: 10.7270/q21837b6
title: BindingDB Entry 50038143: Identification of aminopyrazolopyridine ureas as potent VEGFR/PDGFR multitargeted kinase inhibitors.

description: Small molecule binding data for protein Macrophage colony stimulating factor receptor, SRC, Tyrosine-protein kinase Kit (Kit), Tyrosine-protein kinase receptor FLT3, VEGF-receptor 2 and tyrosine-protein kinase SRC, Vascular endothelial growth factor receptor, and Vascular endothelial growth factor receptor 2, Uniprot L7RSL3, P06241, P07333, P10721, P12931, P17948, P35968, and P36888
DOI: 10.7270/q21r6rkh
title: BindingDB Entry 50039876: Synthesis and biological evaluation of analogs of the marine alkaloids granulatimide and isogranulatimide.

description: Small molecule binding data for protein Cyclin-Dependent Kinase 5 (CDK5), Dual specificity protein kinase CLK1, Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A, and Serine/threonine-protein kinase Chk1, Uniprot O14757, P22518, Q00535, Q15078, and Q63470
DOI: 10.7270/q23t9j0v
title: BindingDB Entry 50037186: Potent, small-molecule inhibitors of human mast cell tryptase. Antiasthmatic action of a dipeptide-based transition-state analogue containing a benzothiazole ketone.

description: Small molecule binding data for protein Trypsin, Trypsin-1, and Tryptase, Uniprot P07477, P35030, and Q15661,P20231
DOI: 10.7270/q24j0g22
title: BindingDB Entry 50039061: Identification of 2-anilino-9-methoxy-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepin-6-ones as dual PLK1/VEGF-R2 kinase inhibitor chemotypes by structure-based lead generation.

description: Small molecule binding data for protein Insulin receptor, Serine/threonine-protein kinase PLK1, and Vascular endothelial growth factor receptor 2, Uniprot P06213, P35968, and P53350
DOI: 10.7270/q251401g
title: BindingDB Entry 50038142: Identification of novel inhibitors of bacterial surface enzyme Staphylococcus aureus Sortase A.

description: Small molecule binding data for protein Sortase A (SrtA)
DOI: 10.7270/q25h7hbp
title: BindingDB Entry 50039875: Inhibition of cap (m7GpppXm)-dependent endonuclease of influenza virus by 4-substituted 2,4-dioxobutanoic acid compounds.

description: Small molecule binding data for protein PA/PB1, Uniprot P03433
DOI: 10.7270/q26m37kb
title: BindingDB Entry 50037193: In vitro analysis of stable, receptor-selective neurotensin[8-13] analogues.

description: Small molecule binding data for protein Dopamine receptor D2L/neurotensin receptor NTS1, Neurotensin receptor, and Neurotensin receptor 3, Uniprot O95665, P30989, and Q99523
DOI: 10.7270/q2862hdh
title: BindingDB Entry 50039060: Bis(morpholino-1,3,5-triazine) derivatives: potent adenosine 5'-triphosphate competitive phosphatidylinositol-3-kinase/mammalian target of rapamycin inhibitors: discovery of compound 26 (PKI-587), a highly efficacious dual inhibitor.

description: Small molecule binding data for protein PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit delta, PI3-kinase subunit gamma, and Serine/threonine-protein kinase mTOR, Uniprot O00329, P42336, P42338, P42345, and P48736
DOI: 10.7270/q28s4qr3
title: BindingDB Entry 50038141: Discovery of azetidinone acids as conformationally-constrained dual PPARalpha/gamma agonists.

description: Small molecule binding data for protein Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 3A, Peroxisome proliferator-activated receptor, Peroxisome proliferator-activated receptor alpha (PPAR alpha), and Voltage-gated potassium channel, Uniprot P08684, P11712, P33261, P37231, Q07869, and Q12809
DOI: 10.7270/q298882d
title: BindingDB Entry 50039874: Synthesis of natural flutimide and analogous fully substituted pyrazine-2,6-diones, endonuclease inhibitors of influenza virus.

description: Small molecule binding data for protein PA/PB1, Uniprot P03433
DOI: 10.7270/q2cc11ff
title: BindingDB Entry 50037184: Stereospecific synthesis of 5-substituted 2-bisarylthiocyclopentane carboxylic acids as specific matrix metalloproteinase inhibitors.

description: Small molecule binding data for protein Collagenase, Matrix metalloproteinase-1 (MMP1), and Stromelysin-1, Uniprot P03956, P08253, P08254, P14780, and P45452
DOI: 10.7270/q2cz383g
title: BindingDB Entry 50039059: Colony stimulating factor-1 receptor as a target for small molecule inhibitors.

description: Small molecule binding data for protein Macrophage colony stimulating factor receptor, Uniprot P07333
DOI: 10.7270/q2dj5ggt
title: BindingDB Entry 50038140: Identification and optimization of a novel series of [2.2.1]-oxabicyclo imide-based androgen receptor antagonists.

description: Small molecule binding data for protein Androgen Receptor, Uniprot P10275
DOI: 10.7270/q2dz09b6
title: BindingDB Entry 50039873: Anti-influenza virus activities of 4-substituted 2,4-dioxobutanoic acid inhibitors.

description: Small molecule binding data for protein PA/PB1, Uniprot P03433
DOI: 10.7270/q2g44r1d
title: BindingDB Entry 50037191: Synthesis and discovery of macrocyclic polyoxygenated bis-7-azaindolylmaleimides as a novel series of potent and highly selective glycogen synthase kinase-3beta inhibitors.

description: Small molecule binding data for protein CaM kinase II, Cyclin-dependent kinase 1, Cyclin-dependent kinase 2, Glycogen synthase kinase-3, PKC alpha and beta-2, Protein kinase C alpha type, Protein kinase C theta type, and Protein kinase C, gamma, Uniprot A0A024RDK3, P05129, P05771, P06493, P17252, P24941, P49841, Q04759, Q13554, Q13555, Q13557, and Q9UQM7
DOI: 10.7270/q2gq6zp1
title: BindingDB Entry 50039066: Carbonic anhydrase inhibitors. Inhibition of mammalian isoforms I-XIV with a series of natural product polyphenols and phenolic acids.

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/q2hq40v7
title: BindingDB Entry 50039058: Synthesis and biological evaluation of botulinum neurotoxin a protease inhibitors.

description: Small molecule binding data for protein Antrax lethal toxin and Botulinum neurotoxin type A, Uniprot P10845 and P15917
DOI: 10.7270/q2hq40zk
title: BindingDB Entry 50039880: The impact of ionization States of matrix metalloproteinase inhibitors on docking-based inhibitor design.

description: Small molecule binding data for protein Collagenase, Uniprot P14780
DOI: 10.7270/q2j96770
title: BindingDB Entry 50038139: Structure-activity relationships and pharmacokinetic parameters of quinoline acylsulfonamides as potent and selective antagonists of the EP(4) receptor.

description: Small molecule binding data for protein Prostaglandin E2 receptor, Prostaglandin E2 receptor EP1 subtype (EP1), Prostaglandin E2 receptor EP2 subtype (EP2), Prostaglandin E2 receptor EP4 subtype (EP4), Prostanoid DP receptor, Prostanoid FP receptor, Prostanoid IP receptor, and Prostanoid TP receptor, Uniprot P21731, P34995, P35408, P43088, P43115, P43116, P43119, and Q13258
DOI: 10.7270/q2jq121g
title: BindingDB Entry 50039872: Identification of influenza endonuclease inhibitors using a novel fluorescence polarization assay.

description: Small molecule binding data for protein PA/PB1, Uniprot P03433
DOI: 10.7270/q2ks6s9n
title: BindingDB Entry 50037190: Synthesis and SAR of thrombin inhibitors incorporating a novel 4-amino-morpholinone sscaffold: analysis of X-ray crystal structure of enzyme inhibitor complex.

description: Small molecule binding data for protein Prothrombin, Uniprot P00734
DOI: 10.7270/q2n29xs3
title: BindingDB Entry 50038146: Phosphoramidate derivatives of hydroxysteroids as inhibitors of prostate-specific membrane antigen.

description: Small molecule binding data for protein Glutamate carboxypeptidase II, Uniprot Q04609
DOI: 10.7270/q2ng4rkk
title: BindingDB Entry 50039057: Synthesis and evaluation of a set of 4-phenylpiperidines and 4-phenylpiperazines as D2 receptor ligands and the discovery of the dopaminergic stabilizer 4-[3-(methylsulfonyl)phenyl]-1-propylpiperidine (huntexil, pridopidine, ACR16).

description: Small molecule binding data for protein Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416
DOI: 10.7270/q2qj7j1c
title: BindingDB Entry 50037189: The first potent and selective non-imidazole human histamine H4 receptor antagonists.

description: Small molecule binding data for protein Histamine H4 Receptor, Histamine receptor (H3), and Histamine receptor (H4), Uniprot Q91ZY1, Q9H3N8, and Q9Y5N1
DOI: 10.7270/q2rv0pjh
title: BindingDB Entry 50038145: Potent pyrrolidine- and piperidine-based BACE-1 inhibitors.

description: Small molecule binding data for protein Beta-secretase 1, Beta-secretase 2 (BACE2), Cathepsin D, and Cathepsin E, Uniprot P07339, P14091, P56817, and Q9Y5Z0
DOI: 10.7270/q2s75hc6
title: BindingDB Entry 50039878: Quinolizidinone carboxylic acids as CNS penetrant, selective m1 allosteric muscarinic receptor modulators.

description: Small molecule binding data for protein Voltage-gated potassium channel, Uniprot Q12809
DOI: 10.7270/q2v988tk
title: BindingDB Entry 50037188: Pyrazole derivatives as partial agonists for the nicotinic acid receptor.

description: Small molecule binding data for protein Hydroxycarboxylic acid receptor 2, Uniprot Q80Z39
DOI: 10.7270/q2w096w7
title: BindingDB Entry 50039063: A concise synthesis of 1,4-dihydro-[1,4]diazepine-5,7-dione, a novel 7-TM receptor ligand core structure with melanocortin receptor agonist activity.

description: Small molecule binding data for protein Melanocortin receptor 4 and Melanocyte-stimulating hormone receptor, Uniprot P32245 and Q01726
DOI: 10.7270/q2wm1f7s
title: BindingDB Entry 50038144: Development of dimeric modulators for anti-apoptotic Bcl-2 proteins.

description: Small molecule binding data for protein Apoptosis regulator Bcl-2, BCL-W, and Bcl2-antagonist of cell death (BAD), Uniprot P10415, Q92843, and Q92934
DOI: 10.7270/q2x06811
title: BindingDB Entry 50039055: Novel thiophene derivatives as PTP1B inhibitors with selectivity and cellular activity.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Receptor-type tyrosine-protein phosphatase F (LAR), Serine/threonine-protein phosphatase 2A activator, T-cell protein-tyrosine phosphatase, and Tyrosine-Protein Phosphatase (CD45), Uniprot P08575, P10586, P17706, P18031, and Q15257
DOI: 10.7270/q2x0683x
title: BindingDB Entry 50039877: Synthesis and Biochemical Testing of 3-(Carboxyphenylethyl)imidazo[2,1-f][1,2,4]triazines as Inhibitors of AMP Deaminase.

description: Small molecule binding data for protein AMP deaminase 1 (hAMPD1) and AMP deaminase 3 (hAMPD3), Uniprot P23109 and Q01432
DOI: 10.7270/q2z0396v
title: BindingDB Entry 50039869: Synthesis and evaluation of 11ß-(4-substituted phenyl) estradiol analogs: transition from estrogen receptor agonists to antagonists.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα), Uniprot P03372
DOI: 10.7270/q20c4wmr
title: BindingDB Entry 50038151: New QSAR combined strategy for the design of A1 adenosine receptor agonists.

description: Small molecule binding data for protein Adenosine receptor A1, Uniprot P25099
DOI: 10.7270/q20r9qf4
title: BindingDB Entry 50039884: Development of Polar Adenosine A2A Receptor Agonists for Inflammatory Bowel Disease: Synergism with A2B Antagonists.

description: Small molecule binding data for protein Adenosine Receptors A2a (A2a), Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, and Adenosine receptor A3, Uniprot P0DMS8, P25099, P29274, P29275, P30542, and P30543
DOI: 10.7270/q22v2gvm
title: BindingDB Entry 50037194: Synthesis and biological evaluation of 14-alkoxymorphinans. 20. 14-phenylpropoxymetopon: an extremely powerful analgesic.

description: Small molecule binding data for protein Nociceptin/mu opioid receptor, Opioid receptor, and Opioid receptors; mu & delta, Uniprot P33533, P33535, and P34975
DOI: 10.7270/q23j3dx8
title: BindingDB Entry 50039069: Isoxazole analogues bind the system xc- transporter: structure-activity relationship and pharmacophore model.

description: Small molecule binding data for protein Cystine/glutamate transporter, Uniprot Q9UPY5
DOI: 10.7270/q2416xw9
title: BindingDB Entry 50038150: Designed modification of partial agonist of ORL1 nociceptin receptor for conversion into highly potent antagonist.

description: Small molecule binding data for protein Nociceptin receptor, Uniprot P41146
DOI: 10.7270/q24j0g5d
title: BindingDB Entry 50039883: Discovery of a Potent HIV Integrase Inhibitor that Leads to a Prodrug with Significant anti-HIV Activity.

description: Small molecule binding data for protein Cytochrome P450 2C8, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot P08684, P10632, and P10635
DOI: 10.7270/q27945mj
title: BindingDB Entry 50039068: In silico search for multi-target anti-inflammatories in Chinese herbs and formulas.

description: Small molecule binding data for protein Cyclooxygenase-2 (COX-2), Mitogen-activated protein kinase 14, Prostaglandin G/H synthase (cyclooxygenase), cAMP-specific 3',5'-cyclic phosphodiesterase 4B, and cAMP-specific 3',5'-cyclic phosphodiesterase 4D, Uniprot P05979, Q05769, Q07343, Q08499, and Q16539
DOI: 10.7270/q27s7pk8
title: BindingDB Entry 50038149: Acylguanidine inhibitors of beta-secretase: optimization of the pyrrole ring substituents extending into the S1' substrate binding pocket.

description: Small molecule binding data for protein Beta-secretase 1 and Cathepsin D, Uniprot P07339 and P56817
DOI: 10.7270/q28916x5
title: BindingDB Entry 50039882: Optimization of the Central Core of Indolinone-Acetic Acid-Based CRTH2 (DP2) Receptor Antagonists.

description: Small molecule binding data for protein Aldose reductase (AR), Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and G protein-coupled receptor 44, Uniprot P05177, P08684, P10632, P10635, P11712, P15121, P33261, and Q9Y5Y4
DOI: 10.7270/q2bc4092
title: BindingDB Entry 50037192: Polymer-assisted solution-phase library synthesis and crystal structure of alpha-ketothiazoles as tissue factor VIIa inhibitors.

description: Small molecule binding data for protein Coagulation factor VII, Coagulation factor X/antithrombin III, and Prothrombin, Uniprot P00734, P00742, and P08709
DOI: 10.7270/q2bk1d6m
title: BindingDB Entry 50038156: Fused bicyclic pyrrolizinones as new scaffolds for human NK1 antagonists.

description: Small molecule binding data for protein Neurokinin 1 receptor, Uniprot P25103
DOI: 10.7270/q2bz670j
title: BindingDB Entry 50039067: 2-Amino-5-benzoyl-4-phenylthiazoles: Development of potent and selective adenosine A1 receptor antagonists.

description: Small molecule binding data for protein Adenosine A1 receptor, Adenosine A2a receptor, Adenosine Receptors A2a (A2a), Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2a and A3, Adenosine receptor A2b, and Adenosine receptor A3, Uniprot P0DMS8, P25099, P28647, P29274, P29275, P29276, P30542, P30543, P46616, and Q60612
DOI: 10.7270/q2c24xgp
title: BindingDB Entry 50039889: Development of potent and selective inhibitors of aldo-keto reductase 1C3 (type 5 17ß-hydroxysteroid dehydrogenase) based on N-phenyl-aminobenzoates and their structure-activity relationships.

description: Small molecule binding data for protein 17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3), Aldo-keto reductase family 1 member C1, Aldo-keto reductase family 1 member C2, Aldo-keto reductase family 1 member C4 (AK1C4), Aldo-keto reductase family member 1B10 (AKR1B10), Aldose reductase (AR), and Cyclooxygenase, Uniprot O60218, P15121, P17516, P35354, P42330, P52895, and Q04828