cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2fq9w59
title: BindingDB Entry 50016476: P2-P3 conformationally constrained ketoamide-based inhibitors of cathepsin K.

description: Small molecule binding data for protein Cathepsin (B and K), Cathepsin K, Cathepsin L1, Cathepsin S, and Cathepsin V, Uniprot O60911, P07711, P07858, P25774, and P43235
DOI: 10.7270/q2gh9hkc
title: BindingDB Entry 50018175: Structure-activity relationships of [2',5'-bis-O-(tert-butyldimethylsilyl)-beta-D-ribofuranosyl]- 3'-spiro-5' '-(4' '-amino-1' ',2' '-oxathiole-2' ',2' '-dioxide)thymine derivatives as inhibitors of HIV-1 reverse transcriptase dimerization.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 reverse transcriptase
DOI: 10.7270/q2kh0mvq
title: BindingDB Entry 50016473: Synthesis and SAR of 2-carboxylic acid indoles as inhibitors of plasminogen activator inhibitor-1.

description: Small molecule binding data for protein Plasminogen activator inhibitor-1, Uniprot P05121
DOI: 10.7270/q2m61jwx
title: BindingDB Entry 50018171: Highly potent and selective histone deacetylase 6 inhibitors designed based on a small-molecular substrate.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, and Histone deacetylase 4, Uniprot A0A024QZ26, P56524, Q13547, and Q9UBN7
DOI: 10.7270/q2nk3drb
title: BindingDB Entry 50020807: Synthesis and structure-activity relationship of novel indene N-oxide derivatives as potent peroxisome proliferator activated receptor gamma (PPARgamma) agonists.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Uniprot P37231
DOI: 10.7270/q2pg1rfz
title: BindingDB Entry 50020781: Design and synthesis of a new class of selective integrin alpha5beta1 antagonists.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha5, Integrin alpha-IIb/beta-3, Integrin beta-3/Vitronectin receptor alpha, and Integrin beta-5/Vitronectin receptor alpha, Uniprot P05106, P05556, P06756, P08514, P08648, and P18084
DOI: 10.7270/q2pr7vf7
title: BindingDB Entry 50014755: Identification and optimization of novel partial agonists of neuromedin B receptor using parallel synthesis.

description: Small molecule binding data for protein NMBR, Uniprot P28336
DOI: 10.7270/q2q81ckf
title: BindingDB Entry 50016471: Discovery and activity of (1R,4S,6R)-N-[(1R)-2-[4-cyclohexyl-4-[[(1,1-dimethylethyl)amino]carbonyl]-1-piperidinyl]-1-[(4-fluorophenyl)methyl]-2-oxoethyl]-2-methyl-2-azabicyclo[2.2.2]octane-6-carboxamide (3, RY764), a potent and selective melanocortin subtype-4 receptor agonist.

description: Small molecule binding data for protein Melanocortin receptor 2, Melanocortin receptor 3 (MC3R), Melanocortin receptor 4, Melanocortin receptor 5 (MC5R), and Melanocyte-stimulating hormone receptor, Uniprot P32245, P33032, P41968, P56450, P70596, Q01718, and Q01726
DOI: 10.7270/q2qz29kw
title: BindingDB Entry 50018170: Accurate prediction of the relative potencies of members of a series of kinase inhibitors using molecular docking and MM-GBSA scoring.

description: Small molecule binding data for protein Serine/threonine-protein kinase Aurora, Uniprot O14965
DOI: 10.7270/q2s75g19
title: BindingDB Entry 50020800: Synthesis and antiviral evaluation of 6-(alkyl-heteroaryl)furo[2,3-d]pyrimidin-2(3H)-one nucleosides and analogues with ethynyl, ethenyl, and ethyl spacers at C6 of the furopyrimidine core.

description: Small molecule binding data for protein Thymidine kinase, Uniprot P09250
DOI: 10.7270/q2sj1k2k
title: BindingDB Entry 50014770: Novel nonpeptidic inhibitors of HIV-1 protease obtained via a new multicomponent chemistry strategy.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease
DOI: 10.7270/q2th8m4h
title: BindingDB Entry 50014746: Gamma-amino-substituted analogues of 1-[(S)-2,4-diaminobutanoyl]piperidine as highly potent and selective dipeptidyl peptidase II inhibitors.

description: Small molecule binding data for protein Dipeptidyl peptidase 2 (DPP II) and Dipeptidyl peptidase 4 (DPP4), Uniprot P27487 and Q9UHL4
DOI: 10.7270/q2v12495
title: BindingDB Entry 50016469: Investigation of glycine alpha-ketoamide HCV NS3 protease inhibitors: effect of carboxylic acid isosteres.

description: Small molecule binding data for protein Hepatitis C virus serine protease, NS3/NS4A, Uniprot Q4JMH3 A3EZI9
DOI: 10.7270/q2vq329m
title: BindingDB Entry 50018169: Novel, orally bioavailable gamma-aminoamide CC chemokine receptor 2 (CCR2) antagonists.

description: Small molecule binding data for protein C-C chemokine receptor type 2, C-C chemokine receptor type 5, and Neurokinin 1 receptor, Uniprot O95950, P25103, P41597, and P51681
DOI: 10.7270/q2x066q5
title: BindingDB Entry 50020798: Design and synthesis of a library of tertiary amides: evaluation as mimetics of the melanocortins' active core.

description: Small molecule binding data for protein Melanocortin receptor 1, Melanocortin receptor 3 (MC3R), Melanocortin receptor 4, and Melanocortin receptor 5 (MC5R), Uniprot P32245, P33032, P41968, and Q01727
DOI: 10.7270/q2x929q0
title: BindingDB Entry 50014767: Human ACAT-1 and -2 inhibitory activities of saucerneol B, manassantin A and B isolated from Saururus chinensis.

description: Small molecule binding data for protein Acyl Cholesterol Acyltransferase 1 (ACAT-1) and Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2), Uniprot O75908 and P35610
DOI: 10.7270/q2zs2w16
title: BindingDB Entry 50016466: Discovery and SAR of biaryl piperidine MCH1 receptor antagonists through solid-phase encoded combinatorial synthesis.

description: Small molecule binding data for protein Melanin-concentrating hormone receptor, Uniprot Q99705
DOI: 10.7270/q20r9p37
title: BindingDB Entry 50020828: Pyrrolidines as potent functional agonists of the human melanocortin-4 receptor.

description: Small molecule binding data for protein Melanocortin receptor 4, Uniprot P32245
DOI: 10.7270/q2125s3c
title: BindingDB Entry 50014788: Selective urokinase-type plasminogen activator (uPA) inhibitors. Part 3: 1-isoquinolinylguanidines.

description: Small molecule binding data for protein Plasminogen, Tissue-type plasminogen activator, and Urokinase-type plasminogen activator, Uniprot P00747, P00749, and P00750
DOI: 10.7270/q228076k
title: BindingDB Entry 50018193: Novel aminobenzimidazoles as selective MCH-R1 antagonists for the treatment of metabolic diseases.

description: Small molecule binding data for protein Melanin-concentrating hormone receptor, Uniprot Q99705
DOI: 10.7270/q24j0dt3
title: BindingDB Entry 50020825: Studies on a series of potent, orally bioavailable, 5-HT(1) receptor ligands.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot P05177, P08684, P10635, P11712, and P33261
DOI: 10.7270/q24t6htc
title: BindingDB Entry 50014787: Critical structural motif for the catalytic inhibition of human topoisomerase II by UK-1 and analogs.

description: Small molecule binding data for protein Topoisomerase II alpha (HuTopoIIα), Uniprot P11388
DOI: 10.7270/q25b021w
title: BindingDB Entry 50016502: Synthesis of benzoyl phenyl benzoates as effective inhibitors for phospholipase A2 and hyaluronidase enzymes.

description: Small molecule binding data for protein Phospholipase A2, Phospholipase A2 isozyme DE-I, and Phospholipase A2 isozyme PLA-A, Uniprot P00599, P59264, and Q7T3S7
DOI: 10.7270/q2610zxh
title: BindingDB Entry 50018192: 1-Alkyl-2-aryl-4-(1-naphthoyl)pyrroles: new high affinity ligands for the cannabinoid CB1 and CB2 receptors.

description: Small molecule binding data for protein Cannabinoid receptor and Cannabinoid receptor 2, Uniprot P20272 and P34972
DOI: 10.7270/q28k78j3
title: BindingDB Entry 50014785: Development of l-3-aminotyrosine suitably protected for the synthesis of a novel nonphosphorylated hexapeptide with low-nanomolar Grb2-SH2 domain-binding affinity.

description: Small molecule binding data for protein Grb2-SH2, Uniprot P62993
DOI: 10.7270/q2930sqc
title: BindingDB Entry 50016498: Chemical modification of the naphthoyl 3-position of JWH-015: in search of a fluorescent probe to the cannabinoid CB2 receptor.

description: Small molecule binding data for protein Cannabinoid receptor 2, Uniprot P34972
DOI: 10.7270/q29s1qnx
title: BindingDB Entry 50018191: Benzodiazepine calcitonin gene-related peptide (CGRP) receptor antagonists: optimization of the 4-substituted piperidine.

description: Small molecule binding data for protein Calcitonin gene-related peptide type 1 receptor, Uniprot Q16602
DOI: 10.7270/q2b27ts9
title: BindingDB Entry 50016477: Synthesis and structure-activity relationship of imidazo[1,2-a]benzimidazoles as corticotropin-releasing factor 1 receptor antagonists.

description: Small molecule binding data for protein Corticotropin releasing factor receptor 1, Uniprot P34998
DOI: 10.7270/q2c24w4s
title: BindingDB Entry 50020845: Comparative molecular field analysis of flavonoid inhibitors of the PIM-1 kinase.

description: Small molecule binding data for protein Serine/threonine-protein kinase PIM, Uniprot P11309
DOI: 10.7270/q2cc1040
title: BindingDB Entry 50014795: 2,3-Dihydro-1,3-dioxo-1H-isoindole-5-carboxylic acid derivatives: a novel class of small molecule heparanase inhibitors.

description: Small molecule binding data for protein Heparanase, Uniprot Q9Y251
DOI: 10.7270/q2d21xb2
title: BindingDB Entry 50020813: Probes for narcotic receptor mediated phenomena. 34. Synthesis and structure-activity relationships of a potent mu-agonist delta-antagonist and an exceedingly potent antinociceptive in the enantiomeric C9-substituted 5-(3-hydroxyphenyl)-N-phenylethylmorphan series.

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/q2dv1jdb
title: BindingDB Entry 50016496: Estrogen receptor ligands. Part 13: Dihydrobenzoxathiin SERAMs with an optimized antagonist side chain.

description: Small molecule binding data for protein Estradiol receptor beta (ERβ), Uniprot Q92731
DOI: 10.7270/q2fj2gd3
title: BindingDB Entry 50018190: Solid-phase synthesis and structure-activity relationships of novel biarylethers as melanin-concentrating hormone receptor-1 antagonists.

description: Small molecule binding data for protein Melanin-concentrating hormone receptor and Melanin-concentrating hormone receptor 1, Uniprot Q99705
DOI: 10.7270/q2ht2p2g
title: BindingDB Entry 50020809: Novel 1-(azacyclyl)-3-arylsulfonyl-1H-pyrrolo[2,3-b]pyridines as 5-HT6 agonists and antagonists.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 6 (5-HT6), Uniprot P50406
DOI: 10.7270/q2j38s1m
title: BindingDB Entry 50014780: Design and synthesis of beta-amino-alpha-hydroxy amide derivatives as inhibitors of MetAP2 and HUVEC growth.

description: Small molecule binding data for protein Methionine aminopeptidase 2, Uniprot P50579
DOI: 10.7270/q2jh3kqb
title: BindingDB Entry 50016495: Analysis of structure-activity relationships for the 'B-region' of N-(4-t-butylbenzyl)-N'-[4-(methylsulfonylamino)benzyl]-thiourea analogues as TRPV1 antagonists.

description: Small molecule binding data for protein Vanilloid receptor, Uniprot O35433
DOI: 10.7270/q2k9374t
title: BindingDB Entry 50018189: Novel tricyclic azepine derivatives: Biological evaluation of pyrimido[4,5-b]-1,4-benzoxazepines, thiazepines, and diazepines as inhibitors of the epidermal growth factor receptor tyrosine kinase.

description: Small molecule binding data for protein Epidermal growth factor receptor and Vascular endothelial growth factor receptor 2, Uniprot P00533 and P35968
DOI: 10.7270/q2mw2gms
title: BindingDB Entry 50014793: The monoethyl ester of meconic acid is an active site inhibitor of HCV NS5B RNA-dependent RNA polymerase.

description: Small molecule binding data for protein Hepatitis C virus NS5B RNA-dependent RNA polymerase, Uniprot Q8JXU8
DOI: 10.7270/q2nv9hq5
title: BindingDB Entry 50014775: In vitro SAR of (5-(2H)-isoxazolonyl) ureas, potent inhibitors of hormone-sensitive lipase.

description: Small molecule binding data for protein Hormone-sensitive lipase (HSL), Uniprot Q05469
DOI: 10.7270/q2p26xrt
title: BindingDB Entry 50018202: Aza-stilbenes as potent and selective c-RAF inhibitors.

description: Small molecule binding data for protein C-RAF and Tyrosine-protein kinase FYN, Uniprot P04049 and P39688
DOI: 10.7270/q2p84bdm
title: BindingDB Entry 50016493: Discovery and in vitro evaluation of potent kinase inhibitors: Pyrido[1',2':1,5]pyrazolo[3,4-d]pyrimidines.

description: Small molecule binding data for protein Epidermal growth factor receptor and Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Uniprot P00533 and P04626
DOI: 10.7270/q2pz58gz
title: BindingDB Entry 50018188: Novel methylenephosphophosphonate analogues of mycophenolic adenine dinucleotide. Inhibition of inosine monophosphate dehydrogenase.

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/q2rb7497
title: BindingDB Entry 50020832: Design, synthesis, and SAR study of a series of N-alkyl-N'-[2-(aryloxy)-5-nitrobenzenesulfonyl]ureas and -cyanoguanidine as selective antagonists of the TPalpha and TPbeta isoforms of the human thromboxane A2 receptor.

description: Small molecule binding data for protein Prostanoid TP receptor, Uniprot P21731
DOI: 10.7270/q2rn3792
title: BindingDB Entry 50014792: Novel thrombin inhibitors incorporating weakly basic heterobicyclic P1-arginine mimetics: optimization via modification of P1 and P3 moieties.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Prothrombin, and Trypsin II, Uniprot P00734, P00742, and Q29463
DOI: 10.7270/q2t1534b
title: BindingDB Entry 50016491: Identification of potent type I MetAP inhibitors by simple bioisosteric replacement. Part 1: Synthesis and preliminary SAR studies of thiazole-4-carboxylic acid thiazol-2-ylamide derivatives.

description: Small molecule binding data for protein Methionine Aminopeptidase (MAP) and Methionine aminopeptidase 1, Uniprot P0AE18 and Q01662
DOI: 10.7270/q2tq6157
title: BindingDB Entry 50018187: NMR structure of a potent small molecule inhibitor bound to human keratinocyte fatty acid-binding protein.

description: Small molecule binding data for protein Fatty acid-binding protein 4 (FABP4) and Fatty acid-binding protein 5 (FABP5), Uniprot P15090 and Q01469
DOI: 10.7270/q2w095np
title: BindingDB Entry 50020830: Alpha2-adrenoreceptors profile modulation. 3.1 (R)-(+)-m-nitrobiphenyline, a new efficient and alpha2C-subtype selective agonist.

description: Small molecule binding data for protein Alpha-2A adrenergic receptor, Alpha-2B adrenergic receptor, and Alpha-2C adrenergic receptor, Uniprot P08913, P18089, P18825, and Q4W594
DOI: 10.7270/q2w958nh
title: BindingDB Entry 50014791: 3-(7-Azaindolyl)-4-arylmaleimides as potent, selective inhibitors of glycogen synthase kinase-3.

description: Small molecule binding data for protein 3-phosphoinositide dependent protein kinase-1, CDK2/Cyclin A/Cyclin A1, Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3, Glycogen synthase kinase-3, PKC alpha and beta-2, Protein kinase C alpha type, Protein kinase C, gamma, Ribosomal protein S6 kinase alpha 3, Ribosomal protein S6 kinase alpha 5, and SRC, Uniprot O15530, O75582, O95067, P05129, P05771, P06493, P07948, P14635, P17252, P20248, P24941, P49841, P51812, P78396, and Q8WWL7
DOI: 10.7270/q2xs5twd
title: BindingDB Entry 50016490: Comparison of different heterocyclic scaffolds as substrate analog PDE5 inhibitors.

description: Small molecule binding data for protein Phosphodiesterase 1 and cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O76074, P54750, Q01064, and Q14123
DOI: 10.7270/q2zg6rvq
title: BindingDB Entry 50018186: Synthesis of anthranylaldoxime derivatives as estrogen receptor ligands and computational prediction of binding modes.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα) and Estradiol receptor beta (ERβ), Uniprot P03372 and Q92731
DOI: 10.7270/q2028r0f
title: BindingDB Entry 50014801: New substituted triaza-benzo[cd]azulen-9-ones as promising phosphodiesterase-4 inhibitors.

description: Small molecule binding data for protein cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O76074
DOI: 10.7270/q20k283w
title: BindingDB Entry 50016519: Adamantyl cannabinoids: a novel class of cannabinergic ligands.

description: Small molecule binding data for protein Cannabinoid receptor, Uniprot P20272 and P47936
DOI: 10.7270/q2183643
title: BindingDB Entry 50018220: Peptidyl-urea based inhibitors of soluble epoxide hydrolases.

description: Small molecule binding data for protein Epoxide hydratase and Soluble epoxide hydrolase (sEH), Uniprot P34913 and P34914
DOI: 10.7270/q21j999m
title: BindingDB Entry 50016503: Ketoheterocycle-based inhibitors of cathepsin K: a novel entry into the synthesis of peptidic ketoheterocycles.

description: Small molecule binding data for protein Cathepsin K, Uniprot P43235
DOI: 10.7270/q23j3cpq
title: BindingDB Entry 50020856: Enantiopure five-membered cyclicdiamine derivatives as potent and selective inhibitors of factor Xa. Improving in vitro metabolic stability via core modifications.

description: Small molecule binding data for protein Coagulation factor VII, Coagulation factor X/antithrombin III, Coagulation factor XI, Plasma kallikrein (KLKB1), Plasminogen, Prothrombin, Tissue-type plasminogen activator, Urokinase-type plasminogen activator, and Vitamin K-dependent protein C, Uniprot P00734, P00742, P00747, P00749, P00750, P03951, P03952, P04070, and P08709
DOI: 10.7270/q23t9gnj
title: BindingDB Entry 50014798: Design and synthesis of dysidiolide analogs from vitamin D3: novel class of Cdc25A inhibitors.

description: Small molecule binding data for protein Dual specificity phosphatase Cdc25B and phosphatase Cdc25, Uniprot P30304 and P30305
DOI: 10.7270/q24b30vn
title: BindingDB Entry 50016518: Potent inhibitors of subgenomic hepatitis C virus RNA replication through optimization of indole-N-acetamide allosteric inhibitors of the viral NS5B polymerase.

description: Small molecule binding data for protein Hepatitis C virus NS5B RNA-dependent RNA polymerase, Uniprot Q8JXU8
DOI: 10.7270/q2513xtk
title: BindingDB Entry 50018216: Des-keto lobeline analogs with increased potency and selectivity at dopamine and serotonin transporters.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Neuronal acetylcholine receptor, Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Sodium-dependent serotonin transporter, and Vesicular monoamine transporter 2 (VMAT2), Uniprot P09483, P12390, P23977, P31652, Q01827, and Q05941
DOI: 10.7270/q27944c0
title: BindingDB Entry 50020854: Sulfonamide derivatives as new potent and selective CB2 cannabinoid receptor agonists.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q27m07ct
title: BindingDB Entry 50014796: Long chain amines and long chain ammonium salts as novel inhibitors of dynamin GTPase activity.

description: Small molecule binding data for protein Dynamin-1, Uniprot Q05193
DOI: 10.7270/q2833rk0
title: BindingDB Entry 50016517: Synthesis and identification of [1,3,5]triazine-pyridine biheteroaryl as a novel series of potent cyclin-dependent kinase inhibitors.

description: Small molecule binding data for protein CDK2/Cyclin A/Cyclin A1, CDK6/G1/S-specific cyclin D3, Casein kinase I, Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3/cAMP-dependent protein kinase alpha-catalytic subunit, Cyclin-Dependent Kinase 4 (CDK4), Cyclin-Dependent Kinase 5 (CDK5), Cyclin-Dependent Kinase 7 (CDK7), Cyclin-dependent kinase 1, Epidermal growth factor receptor, Fibroblast growth factor receptor 2, MAP kinase ERK2, PDGFR-beta/Platelet-derived growth factor receptor alpha, Serine/threonine-protein kinase AKT, and Vascular endothelial growth factor receptor 2, Uniprot O95067, P00533, P06493, P09619, P11802, P14635, P16234, P20248, P21802, P24385, P24941, P28482, P30281, P31751, P35968, P48729, P48730, P49674, P50613, P51946, P78368, P78396, Q00534, Q00535, Q15078, Q8WWL7, Q95J97, and Q9HCP0
DOI: 10.7270/q28s4pj0
title: BindingDB Entry 50018206: Synthesis and biological evaluation of heterocycle containing adamantane 11beta-HSD1 inhibitors.

description: Small molecule binding data for protein 11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2), 11-beta-hydroxysteroid dehydrogenase 1, and 11-beta-hydroxysteroid dehydrogenase 2, Uniprot P28845, P50172, P51661, and P80365
DOI: 10.7270/q2b27tzj
title: BindingDB Entry 50020886: New fluoro-diphenylchalcogen derivatives to explore the serotonin transporter by PET.

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/q2cv4h9d
title: BindingDB Entry 50016516: Synthesis and biological evaluation of geminal disulfones as HIV-1 integrase inhibitors.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 integrase
DOI: 10.7270/q2dj5f8q
title: BindingDB Entry 50018205: Synthesis and biological evaluation of benzamides and benzamidines as selective inhibitors of VEGFR tyrosine kinases.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q2g44pr0
title: BindingDB Entry 50014813: Antiproliferative and phenotype-transforming antitumor agents derived from cysteine.

description: Small molecule binding data for protein Histone deacetylase 1, Uniprot O09106
DOI: 10.7270/q2gt5mw7
title: BindingDB Entry 50020844: The discovery of potent, selective, and orally bioavailable hNK1 antagonists derived from pyrrolidine.

description: Small molecule binding data for protein Neurokinin 1 receptor, Neurokinin 2 receptor, and Neurokinin 3 receptor, Uniprot P21452, P25103, and P29371
DOI: 10.7270/q2h41qwc
title: BindingDB Entry 50014794: A novel 18 beta-glycyrrhetinic acid analogue as a potent and selective inhibitor of 11 beta-hydroxysteroid dehydrogenase 2.

description: Small molecule binding data for protein 11-beta-hydroxysteroid dehydrogenase 2, Uniprot P50233
DOI: 10.7270/q2hm580p
title: BindingDB Entry 50016510: 4-Fluorosulfonylpiperidines: selective 5-HT2A ligands for the treatment of insomnia.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), Dopamine receptor D2L/neurotensin receptor NTS1, Serotonin (5-HT) receptor, and Voltage-gated potassium channel, Uniprot P14416, P14842, P28223, P28335, and Q12809
DOI: 10.7270/q2j9661w
title: BindingDB Entry 50018204: Synthesis, radiolabeling, and in vivo evaluation of an 18F-labeled isatin analog for imaging caspase-3 activation in apoptosis.

description: Small molecule binding data for protein Caspase-1, Caspase-3, Caspase-6, Caspase-7, and Caspase-8, Uniprot P29466, P42574, P55210, P55212, and Q14790
DOI: 10.7270/q2kk9bgk
title: BindingDB Entry 50020876: 5-Substituted imidazole-4-acetic acid analogues: synthesis, modeling, and pharmacological characterization of a series of novel gamma-aminobutyric acid(C) receptor agonists.

description: Small molecule binding data for protein GABA receptor alpha-1/beta-2/gamma-2 subunit, Uniprot P14867, P18507, and P47870
DOI: 10.7270/q2kw5fhv
title: BindingDB Entry 50014812: A novel series of piperidin-4-yl-1,3-dihydroindol-2-ones as agonist and antagonist ligands at the nociceptin receptor.

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