cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2pz57ns
title: BindingDB Entry 7822: Design, synthesis, molecular docking, anti-Proteus mirabilis and urease inhibition of new fluoroquinolone carboxylic acid derivatives.

description: Small molecule binding data for protein Urease, Uniprot P14916
DOI: 10.7270/q2qc02d4
title: BindingDB Entry 8508: Benzazepine dicarboxamide 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/q2rb73hh
title: BindingDB Entry 8500: Apoptosis-inducing agent for the treatment of cancer and immune and autoimmune diseases

description: Small molecule binding data for protein GST-Bcl-2 Protein, Uniprot P09211, P10415, and V9HWE9
DOI: 10.7270/q2rf5t50
title: BindingDB Entry 50007222: Dihydrobenzofuran analogues of hallucinogens. 4. Mescaline derivatives.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), Serotonin (5-HT) receptor, Serotonin receptor (2b and 2c), and Serotonin receptor 2a and 2c (5HT2A and 5HT2C), Uniprot P08909, P14842, P19327, P28223, P28335, and P41595
DOI: 10.7270/q2tm790n
title: BindingDB Entry 7821: Continuous arycyclic compound

description: Small molecule binding data for protein Diacylglycerol O-acyltransferase 1 (DGAT1), Uniprot O75907
DOI: 10.7270/q2v69hqg
title: BindingDB Entry 50007237: C-terminal modifications of histidyl-N-benzylglycinamides to give improved inhibition of Ras farnesyltransferase, cellular activity, and anticancer activity in mice.

description: Small molecule binding data for protein Ha-Ras-CVLS and Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit, Uniprot P01112, Q02293, and Q04631
DOI: 10.7270/q2vd6xg7
title: BindingDB Entry 50003817: 5-p-benzoquinonyl-2'-deoxyuridine 5'-phosphate: a possible mechanism-based inhibitor of thymidylate synthetase.

description: Small molecule binding data for protein Thymidylate Synthase (TS), Uniprot P00469
DOI: 10.7270/q2w37v7v
title: BindingDB Entry 8499: Biaryl- or heterocyclic biaryl-substituted cyclohexene derivative compounds as CETP inhibitors

description: Small molecule binding data for protein Cholesteryl ester transfer protein, Uniprot P11597
DOI: 10.7270/q2w66jw9
title: BindingDB Entry 50007215: Synthesis and structure-activity relationships of 6,7-benzomorphan derivatives as antagonists of the NMDA receptor-channel complex.

description: Small molecule binding data for protein Nociceptin/mu opioid receptor, Uniprot P33535
DOI: 10.7270/q2wd3zjq
title: BindingDB Entry 50003701: Synthesis and 5-lipoxygenase inhibitory activities of eicosanoid compounds.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, Uniprot P09917
DOI: 10.7270/q2zc81qz
title: BindingDB Entry 7820: Substituted 3-haloallylamine inhibitors of ASSAO and uses thereof

description: Small molecule binding data for protein Amine oxidase [flavin-containing] B, Diamine oxidase (DAO), and Vascular adhesion protein 1 (VAP-1), Uniprot O08590, P19801, P27338, and Q16853
DOI: 10.7270/q2251h10
title: BindingDB Entry 7828: Pyrazole and imidazole derivatives useful as orexin antagonists

description: Small molecule binding data for protein Orexin receptor 2, Uniprot O43614 and S4X0W3
DOI: 10.7270/q22n516s
title: BindingDB Entry 8513: Arylpyrrolopyridine derived compounds as LRRK2 inhibitors

description: Small molecule binding data for protein Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) and Leucine-rich repeat serine/threonine-protein kinase 2 G2019S, Uniprot Q5S007
DOI: 10.7270/q22r3qrh
title: BindingDB Entry 50007249: 7-alkylidenecephalosporin esters as inhibitors of human leukocyte elastase.

description: Small molecule binding data for protein Leukocyte elastase and Pancreatic elastase, Uniprot P08246 and P08419
DOI: 10.7270/q22z14j3
title: BindingDB Entry 50003871: N-allyl analogues of phencyclidine: chemical synthesis and pharmacological properties.

description: Small molecule binding data for protein Butyrylcholinesterase, Uniprot Q03311
DOI: 10.7270/q24x56mm
title: BindingDB Entry 7835: Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities

description: Small molecule binding data for protein Beta-2 adrenergic receptor and beta-3 adrenergic receptor and Muscarinic acetylcholine receptor, Uniprot P07550 and P20309
DOI: 10.7270/q25x27sf
title: BindingDB Entry 7827: 2,5-disubstituted-pyridyl nicotinic ligands, and methods of use thereof

description: Small molecule binding data for protein Neuronal acetylcholine receptor, Neuronal acetylcholine receptor protein alpha-2/beta-4 subunit, Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit, Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit, Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, and Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit, Uniprot P04757, P09483, P12389, P12390, P12392, P17787, P43681, and Q05941
DOI: 10.7270/q26d5rxq
title: BindingDB Entry 8512: Benzo [C] isoxazoloazepine bromodomain inhibitors and uses thereof

description: Small molecule binding data for protein Bromodomain-containing protein 4 Bromo Domain 1
DOI: 10.7270/q26d5s4t
title: BindingDB Entry 50007248: Anionic- and lipophilic-mediated surface binding inhibitors of human leukocyte elastase.

description: Small molecule binding data for protein Cathepsin G, Leukocyte elastase, and Prothrombin, Uniprot P00734, P08246, and P08311
DOI: 10.7270/q26q1w70
title: BindingDB Entry 50003857: Cardiotonic agents. 1. 4,5-Dihydro-6-[4-(1H-imidazol-1-yl)phenyl]-3 (2H)-pyridazinones: novel positive inotropic agents for the treatment of congestive heart failure.

description: Small molecule binding data for protein cGMP-dependent 3',5'-cyclic phosphodiesterase, Uniprot O00408
DOI: 10.7270/q29p30h5
title: BindingDB Entry 7826: Heteroaryl linked quinolinyl modulators of RORγt

description: Small molecule binding data for protein Retinoic acid-related nuclear receptor gamma t (RORγt)
DOI: 10.7270/q2b56hpw
title: BindingDB Entry 8511: Substituted benzoxazoles

description: Small molecule binding data for protein Prothrombin, Uniprot P00734
DOI: 10.7270/q2b56hv4
title: BindingDB Entry 50007247: Synthesis and stereochemical structure-activity relationships of 1,3-dioxoperhydropyrido[1,2-c]pyrimidine derivatives: potent and selective cholecystokinin-A receptor antagonists.

description: Small molecule binding data for protein CCKBR and Cholecystokinin receptor, Uniprot P30551 and P30553
DOI: 10.7270/q2bg2n05
title: BindingDB Entry 50003853: Synthesis of pyridylallylamines related to zimelidine and their inhibition of neuronal monoamine uptake.

description: Small molecule binding data for protein Norepinephrine Monoamine transporters and Sodium-dependent serotonin transporter, Uniprot P31652
DOI: 10.7270/q2c53jst
title: BindingDB Entry 8503: Spiropyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2f76bjn
title: BindingDB Entry 50003923: Synthesis and evaluation of a novel series of N,N-dimethylisotryptamines.

description: Small molecule binding data for protein Serotonin receptor 2a and 2b (5HT2A and 5HT2B), Uniprot P30994
DOI: 10.7270/q2ff3r7h
title: BindingDB Entry 7825: Pyridine-2-amides useful as CB2 agonists

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2fx78cv
title: BindingDB Entry 8510: Pyrrolinone carboxamide compounds useful as endothelial lipase inhibitors

description: Small molecule binding data for protein Endothelial lipase (EL), Uniprot Q9Y5X9
DOI: 10.7270/q2fx78j3
title: BindingDB Entry 50007246: New orally active non-peptide fibrinogen receptor (GpIIb-IIIa) antagonists: identification of ethyl 3-[N-[4-[4-[amino[(ethoxycarbonyl) imino]methyl]phenyl]-1,3-thiazol-2-yl]-N-[1-[(ethoxycarbonyl)methyl]pip erid -4-yl]amino]propionate (SR 121787) as a potent and long-acting antithrombotic agent.

description: Small molecule binding data for protein Integrin alpha-IIb/beta-3, Uniprot P05106 and P08514
DOI: 10.7270/q2g73cqg
title: BindingDB Entry 50003845: A 1H NMR study of the interactions and conformations of rationally designed brodimoprim analogues in complexes with Lactobacillus casei dihydrofolate reductase.

description: Small molecule binding data for protein Dihydrofolate reductase, Uniprot P00381
DOI: 10.7270/q2j67fs0
title: BindingDB Entry 7832: Compounds and compositions as protein kinase inhibitors

description: Small molecule binding data for protein RAF serine/threonine protein kinase, Uniprot P15056
DOI: 10.7270/q2jq0zxh
title: BindingDB Entry 8517: Pyrazole substituted imidazopyrazines as casein kinase 1 d/e inhibitors

description: Small molecule binding data for protein Casein kinase I delta/epsilon and Casein kinase I isoform delta, Uniprot P48730 and P49674
DOI: 10.7270/q2kk99q9
title: BindingDB Entry 8509: Estra-1,3,5(10),16-tetraene-3-carboxamide derivatives, processes for their preparation, pharmaceutical preparations comprising them and their use for preparing medicaments

description: Small molecule binding data for protein Cytochrome P450 17A1 and GST-Aldo-keto reductase family 1 member C3 (AKR1C3), Uniprot P05093, P09211, P42330, and V9HWE9
DOI: 10.7270/q2kp818t
title: BindingDB Entry 50007245: Structure-activity relationships of (4-acylpyrrol-2-yl)alkanoic acids as inhibitors of the cytosolic phospholipase A2: variation of the substituents in positions 1, 3, and 5.

description: Small molecule binding data for protein Cytosolic phospholipase A2, Uniprot A4IFJ5
DOI: 10.7270/q2m044f6
title: BindingDB Entry 50003841: Interaction of N4-hydroxy-2'-deoxycytidylic acid with thymidylate synthetase.

description: Small molecule binding data for protein Thymidylate Synthase (TS) and Thymidylate synthase, Uniprot P00469 and P04818
DOI: 10.7270/q2nz86hd
title: BindingDB Entry 7831: 5-HT3 receptor antagonists

description: Small molecule binding data for protein Serotonin 3 (5-HT3) receptor, Uniprot P46098
DOI: 10.7270/q2qf8s05
title: BindingDB Entry 50007240: Effect of a chemical modification on the hydrated adenosine intermediate produced by adenosine deaminase and a model reaction for a potential mechanism of action of 5-aminoimidazole ribonucleotide carboxylase.

description: Small molecule binding data for protein Adenosine deaminase, Uniprot P56658
DOI: 10.7270/q2qr4w4s
title: BindingDB Entry 50003829: N-[5-(trifluoromethyl)-6-methoxy-1-naphthalenyl]thioxomethyl]- N-methylglycine (Tolrestat), a potent, orally active aldose reductase inhibitor.

description: Small molecule binding data for protein Aldose reductase (ALR2), Uniprot P16116
DOI: 10.7270/q2sq8z7r
title: BindingDB Entry 7830: Substituted pyrazino[1′,2′:1,2]pyrrolo[3,4-d]pyrimidines, pyrimido[4′,5′:3,4]pyrrolo[2,1-c][1,4]oxazines and pyrimido[4′,5′:3,4]pyrrolo[1,2-d][1,4]oxazepines for inhibiting the CFTR channel

description: Small molecule binding data for protein cystic fibrosis transmembrane conductance regulator protein (CFTR), Uniprot G3H9J3
DOI: 10.7270/q2t72gj6
title: BindingDB Entry 50007252: Syntheses and biological activities (topoisomerase inhibition and antitumor and antimicrobial properties) of rebeccamycin analogues bearing modified sugar moieties and substituted on the imide nitrogen with a methyl group.

description: Small molecule binding data for protein Protein kinase C alpha type, Uniprot P17252
DOI: 10.7270/q2th8kp8
title: BindingDB Entry 50003885: Structure-activity relationships for reactivators of organophosphorus-inhibited acetylcholinesterase: quaternary salts of 2-[(hydroxyimino)methyl]imidazole.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303
DOI: 10.7270/q2v40t4g
title: BindingDB Entry 8507: N-cyclopropyl-N-piperidinyl-amides, pharmaceutical compositions containing them, and uses thereof

description: Small molecule binding data for protein G-protein coupled receptor 119 (GPR119), Uniprot Q8TDV5
DOI: 10.7270/q2xd10jp
title: BindingDB Entry 7829: Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases

description: Small molecule binding data for protein Apoptosis regulator Bcl-2, Uniprot P10415
DOI: 10.7270/q2xw4hq3
title: BindingDB Entry 8514: Phenyl C-glucoside derivative containing deoxyglucose structure, preparation method and use thereof

description: Small molecule binding data for protein Sodium/glucose cotransporter 1 (SGLT1) and Sodium/glucose cotransporter 2 (SGLT2), Uniprot P13866 and P31639
DOI: 10.7270/q2z0378x
title: BindingDB Entry 50007251: Thromboxane modulating agents. 3. 1H-imidazol-1-ylalkyl- and 3-pyridinylalkyl-substituted 3-[2-[(arylsulfonyl)amino]ethyl]benzenepropanoic acid derivatives as dual thromboxane synthase inhibitor/thromboxane receptor antagonists.

description: Small molecule binding data for protein Thromboxane A2 Synthase (P450 TxA2), Uniprot P24557
DOI: 10.7270/q2z60n3k
title: BindingDB Entry 50003881: Carbocyclic analogues of xylofuranosylpurine nucleosides. Synthesis and antitumor activity.

description: Small molecule binding data for protein Adenosine deaminase, Uniprot P03958
DOI: 10.7270/q2zw1jvg
title: BindingDB Entry 8506: (Hetero)aryl cyclopropylamine compounds as LSD1 inhibitors

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, and GST-Lysine Specific Demethylase-1 (LSD1), Uniprot P09211, P21397, P27338, and V9HWE9
DOI: 10.7270/q2154fw6
title: BindingDB Entry 7836: Heterocyclic group contained amino-methanol derivative, and salt, synthetic method and use thereof

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor and Sphingosine 1-phosphate receptor 1 (S1P1), Uniprot O08530 and P21453
DOI: 10.7270/q21n801z
title: BindingDB Entry 8521: Kinase inhibitor

description: Small molecule binding data for protein Glycogen synthase kinase-3, Mitogen-activated protein kinase 14, SRC, Tyrosine-protein kinase SYK, and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P06239, P12931, P43405, P49840, and Q16539
DOI: 10.7270/q21r6pnk
title: BindingDB Entry 50007264: Differentiation between partial agonists and neutral 5-HT1B antagonists by chemical modulation of 3-[3-(N,N-dimethylamino)propyl]-4-hydroxy- N-[4-(pyridin-4-yl)phenyl]benzamide (GR-55562).

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1B, and 5-hydroxytryptamine receptor 1D, Uniprot P08908, P28221, and P28222
DOI: 10.7270/q21z43f5
title: BindingDB Entry 50003959: Optical resolution, absolute configuration, and activity of the enantiomers of proxyphylline.

description: Small molecule binding data for protein cGMP-dependent 3',5'-cyclic phosphodiesterase and cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O00408 and O76074
DOI: 10.7270/q25d8qrw
title: BindingDB Entry 8520: (Thieno[2,3-b][1,5]benzoxazepin-4-yl)piperazin-1-yl compounds as dual activity H1 inverse agonists/5-HT2A antagonists

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-Hydroxytryptamine receptor 6 (5-HT6), 5-Hydroxytryptamine receptor 7 (5-HT7), 5-hydroxytryptamine receptor 1B, 5-hydroxytryptamine receptor 1D, Adrenergic alpha1B, Alpha-1A adrenergic receptor, Alpha-2A adrenergic receptor, Alpha-2B adrenergic receptor, Alpha-2C adrenergic receptor, Dopamine D1 and D2 receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, GABA A receptor alpha-1/beta-1/gamma-2, Histamine H1 receptor, Serotonin (5-HT) receptor, and Serotonin receptor (2b and 2c), Uniprot P08913, P14416, P14867, P18089, P18825, P21728, P28221, P28222, P28223, P28335, P34969, P35348, P35367, P35368, P35462, P41595, P47898, P50406, and Q4W594
DOI: 10.7270/q25h7fc9
title: BindingDB Entry 50007261: Novel tacrine analogues for potential use against Alzheimer's disease: potent and selective acetylcholinesterase inhibitors and 5-HT uptake inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase, Cholinesterase, Norepinephrine Monoamine transporters, and Sodium-dependent serotonin transporter, Uniprot P06276, P31652, and P37136
DOI: 10.7270/q25q4v3m
title: BindingDB Entry 50003934: Structure-activity relationship study of the inhibition of adrenal cortical 11 beta-hydroxylase by new metyrapone analogues.

description: Small molecule binding data for protein Cytochrome P450 11B1, Uniprot P15150
DOI: 10.7270/q27p8x71
title: BindingDB Entry 7842: Synthesis, molecular docking studies of hybrid benzimidazole as α-glucosidase inhibitor.

description: Small molecule binding data for protein α-glucosidase, Uniprot P53051
DOI: 10.7270/q28g8jrf
title: BindingDB Entry 50004095: Receptor-based design of dihydrofolate reductase inhibitors: comparison of crystallographically determined enzyme binding with enzyme affinity in a series of carboxy-substituted trimethoprim analogues.

description: Small molecule binding data for protein Dihydrofolate reductase
DOI: 10.7270/q28p5zbz
title: BindingDB Entry 7834: Optically pure benzyl-4-chlorophenyl-C-glucoside derivative

description: Small molecule binding data for protein Sodium/glucose cotransporter 1 (SGLT1) and Sodium/glucose cotransporter 2 (SGLT2), Uniprot P13866 and P31639
DOI: 10.7270/q2959ggm
title: BindingDB Entry 8519: Substituted benzamides and substituted pyridinecarboxamides as Btk inhibitors

description: Small molecule binding data for protein Tyrosine-protein kinase BTK, Uniprot Q06187
DOI: 10.7270/q2959gp9
title: BindingDB Entry 50007259: Bicyclo[2.2.1]heptane and 6,6-dimethylbicyclo[3.1.1]heptane derivatives: orally active, potent, and selective prostaglandin D2 receptor antagonists.

description: Small molecule binding data for protein Prostanoid DP receptor, Prostanoid IP receptor, and Prostanoid TP receptor, Uniprot P21731, P43119, and Q13258
DOI: 10.7270/q29g5ksg
title: BindingDB Entry 50003924: Methotrexate analogues. 21. Divergent influence of alkyl chain length on the dihydrofolate reductase affinity and cytotoxicity of methotrexate monoesters.

description: Small molecule binding data for protein Dihydrofolate reductase (DHFR), Uniprot P00376
DOI: 10.7270/q2cf9nzb
title: BindingDB Entry 7841: Synthesis, characterization, anticancer, antimicrobial and carbonic anhydrase inhibition profiles of novel (3aR,4S,7R,7aS)-2-(4-((E)-3-(3-aryl)acryloyl) phenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione derivatives.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrase 2, Uniprot P00915 and P00918
DOI: 10.7270/q2df6q2p
title: BindingDB Entry 7833: Chemokine receptor modulators

description: Small molecule binding data for protein C-X-C chemokine receptor type 4 (CXCR4) and Voltage-gated potassium channel, Uniprot P61073 and Q12809
DOI: 10.7270/q2dz0771
title: BindingDB Entry 8518: Substituted 7-azabicycles and their use as orexin receptor modulators

description: Small molecule binding data for protein Orexin receptor 1, Orexin receptor 2, and Orexin receptor type 1 (OX1), Uniprot O43613, O43614, P56718, and S4X0W3
DOI: 10.7270/q2dz07d8
title: BindingDB Entry 50007258: Selective, orally active 5-HT1D receptor agonists as potential antimigraine agents.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-hydroxytryptamine receptor 1A (5HT1A), 5-hydroxytryptamine receptor 1B, 5-hydroxytryptamine receptor 1D, Serotonin (5-HT) receptor, and Serotonin 3 (5-HT3) receptor, Uniprot P28221, P28222, P28223, P28335, P28566, P30939, P46098, and Q64264
DOI: 10.7270/q2h70dpm
title: BindingDB Entry 7840: Thymidine esters as substrate analogue inhibitors of angiogenic enzyme thymidine phosphorylase in vitro.

description: Small molecule binding data for protein Thymidine Phosphorylase (TP), Uniprot P07650
DOI: 10.7270/q2j1026f
title: BindingDB Entry 50004080: Methotrexate analogues. 23. Synthesis, dihydrofolate reductase affinity, cytotoxicity, and in vivo antitumor activity of some putative degradation products of methotrexate-poly(L-lysine) conjugates.

description: Small molecule binding data for protein Dihydrofolate reductase, Uniprot P00375
DOI: 10.7270/q2jq103j
title: BindingDB Entry 50007257: 3-[2-(Pyrrolidin-1-yl)ethyl]indoles and 3-[3-(piperidin-1-yl)propyl]indoles: agonists for the h5-HT1D receptor with high selectivity over the h5-HT1B subtype.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1B and 5-hydroxytryptamine receptor 1D, Uniprot P28221 and P28222
DOI: 10.7270/q2k0738c
title: BindingDB Entry 50003919: Vinylogous amino acid esters: a new class of inactivators for thiol proteases.

description: Small molecule binding data for protein Papain, Uniprot P00784
DOI: 10.7270/q2n015db
title: BindingDB Entry 7839: In vivo anti-inflammatory activity and docking study of newly synthesized benzimidazole derivatives bearing oxadiazole and morpholine rings.

description: Small molecule binding data for protein Cyclooxygenase and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P35354
DOI: 10.7270/q2ng4pqj
title: BindingDB Entry 50007279: 2,4-Diaminothieno[2,3-d]pyrimidine lipophilic antifolates as inhibitors of Pneumocystis carinii and Toxoplasma gondii dihydrofolate reductase.

description: Small molecule binding data for protein Dihydrofolate Reductase (DHFR), Dihydrofolate reductase, and Dihydrofolate reductase (DHFR), Uniprot P16184, Q07422, and Q920D2
DOI: 10.7270/q2ns0sx2
title: BindingDB Entry 50004054: Synthesis and central nervous system properties of 2-[(alkoxycarbonyl)amino]-4(5)-phenyl-2-imidazolines.

description: Small molecule binding data for protein Norepinephrine Monoamine transporters and Sodium-dependent serotonin transporter, Uniprot P31652
DOI: 10.7270/q2pc31bn
title: BindingDB Entry 8516: Tricyclic pyrrolopyridine compound, and JAK inhibitor

description: Small molecule binding data for protein JAK2/TYK2, JAK3/JAK1, Tyrosine-protein kinase JAK1, and Tyrosine-protein kinase JAK2, Uniprot O60674, P23458, P29597, and P52333
DOI: 10.7270/q2pg1qtg
title: BindingDB Entry 50007256: 6-Chloro-5-methyl-1-[[2-[(2-methyl-3-pyridyl)oxy]-5-pyridyl]carbamoyl]- indoline (SB-242084): the first selective and brain penetrant 5-HT2C receptor antagonist.

description: Small molecule binding data for protein Aromatase (CYP19), Cytochrome P450 1A, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot P05177, P08684, P10635, P11511, and P11712
DOI: 10.7270/q2pr7v0d
title: BindingDB Entry 50003918: Methotrexate analogues. 19. Replacement of the glutamate side chain in classical antifolates by L-homocysteic acid and L-cysteic acid: effect on enzyme inhibition and antitumor activity.

description: Small molecule binding data for protein Folylpoly-gamma-glutamate synthetase, Uniprot Q05932
DOI: 10.7270/q2rr1x4c
title: BindingDB Entry 7838: Synthesis of novel chromenones linked to 1,2,3-triazole ring system: Investigation of biological activities against Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BChE), Uniprot O42275 and Q9N1N9
DOI: 10.7270/q2s46qwr
title: BindingDB Entry 8523: Phosphatidylinositol 3-kinase inhibitors

description: Small molecule binding data for protein PI3-kinase subunit beta, PI3-kinase subunit delta, and PI3-kinase subunit gamma, Uniprot O00329, P42338, and P48736
DOI: 10.7270/q2s75ff8
title: BindingDB Entry 50007277: 5-(N-oxyaza)-7-substituted-1,4-dihydroquinoxaline-2,3-diones: novel, systemically active and broad spectrum antagonists for NMDA/glycine, AMPA, and kainate receptors.

description: Small molecule binding data for protein Glutamate-NMDA, Uniprot P35439
DOI: 10.7270/q2sj1jns
title: BindingDB Entry 50003981: S-carbobenzoxyglutathione: a competitive inhibitor of mammalian glyoxalase II.

description: Small molecule binding data for protein Glyoxalase II, Uniprot O35952