cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2r211hn
title: BindingDB Entry 50031132: BRAF inhibitors based on an imidazo[4,5]pyridin-2-one scaffold and a meta substituted middle ring.

description: Small molecule binding data for protein C-RAF, Fibroblast growth factor receptor 1, Hepatocyte growth factor receptor, Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, Mitogen-activated protein kinase 14, Mitogen-activated protein kinase kinase kinase 8, Platelet-derived growth factor receptor, Platelet-derived growth factor receptor beta, RAF serine/threonine protein kinase, SRC, Tyrosine-protein kinase Kit (Kit), Vascular endothelial growth factor receptor, Vascular endothelial growth factor receptor 2, and p38 delta/gamma, Uniprot L7RSL3, P04049, P06239, P07949, P08581, P09619, P10721, P11362, P15056, P16234, P17948, P35968, P41279, P53778, and Q16539
DOI: 10.7270/q2s182px
title: BindingDB Entry 50032104: Discovery of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamides as potent, selective dipeptidyl peptidase-4 (DPP4) inhibitors.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4), Dipeptidyl peptidase IX, and Dipeptidyl peptidase VIII, Uniprot P27487, Q6V1X1, and Q86TI2
DOI: 10.7270/q2tx3fct
title: BindingDB Entry 50030165: TBA

description: Small molecule binding data for protein SRC and Vascular endothelial growth factor receptor 2, Uniprot P06239 and P35968
DOI: 10.7270/q2vm4c6b
title: BindingDB Entry 50029158: TBA

description: Small molecule binding data for protein Cysteinyl leukotriene receptor 1, Uniprot Q2NNR5
DOI: 10.7270/q2vt1s7p
title: BindingDB Entry 50031131: Enhancement of hydrophobic interactions and hydrogen bond strength by cooperativity: synthesis, modeling, and molecular dynamics simulations of a congeneric series of thrombin inhibitors.

description: Small molecule binding data for protein Prothrombin, Uniprot P00734
DOI: 10.7270/q2ws8tfd
title: BindingDB Entry 50032103: An efficient approach to the discovery of potent inhibitors against glycosyltransferases.

description: Small molecule binding data for protein Beta-1,4-galactosyltransferase 1 and CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase, Uniprot P15291 and Q02734
DOI: 10.7270/q2zp4640
title: BindingDB Entry 50030164: Synthesis and structure-activity relationship of the first nonpeptidergic inverse agonists for the human cytomegalovirus encoded chemokine receptor US28.

description: Small molecule binding data for protein Human herpesvirus 5 chemokine receptor, Uniprot P69332
DOI: 10.7270/q22b8z43
title: BindingDB Entry 50031154: 5-Cyclic amine-3-arylsulfonylindazoles as novel 5-HT6 receptor antagonists.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 6 (5-HT6), 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1B, 5-hydroxytryptamine receptor 1D, Alpha-2A adrenergic receptor, Dopamine receptor D2L/neurotensin receptor NTS1, and Serotonin receptor (2b and 2c), Uniprot P08908, P08913, P14416, P28221, P28222, P41595, and P50406
DOI: 10.7270/q22f7nf2
title: BindingDB Entry 50030173: TBA

description: Small molecule binding data for protein Adenosine A1 receptor, Uniprot P28190
DOI: 10.7270/q2348k91
title: BindingDB Entry 50029165: TBA

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1 and Muscarinic receptor M2 and M3, Uniprot P10980 and P11229
DOI: 10.7270/q23b608v
title: BindingDB Entry 50031139: Discovery of 4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamides as selective, orally active inhibitors of protein kinase B (Akt).

description: Small molecule binding data for protein AKT/p21CIP1, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Serine/threonine-protein kinase AKT, Uniprot P05177, P08684, P10635, P11712, P31749, P31751, and P33261
DOI: 10.7270/q23b60br
title: BindingDB Entry 50032118: Secramine inhibits Cdc42-dependent functions in cells and Cdc42 activation in vitro.

description: Small molecule binding data for protein Cell division control protein 42 homolog, Uniprot P60953
DOI: 10.7270/q2639pvd
title: BindingDB Entry 50031153: Salicylic acid based small molecule inhibitor for the oncogenic Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2).

description: Small molecule binding data for protein Dual specificity protein phosphatase (VHR), Dual specificity protein phosphatase CDC14A, Fas-associated protein-tyrosine phosphatase 1 (FAP1), Hematopoietic protein-tyrosine phosphatase (HEPTP), Low molecular weight phosphotyrosine protein phosphatase (LMWPTP), Protein tyrosine phosphatase SHP-2 (SHP-2), Protein-tyrosine phosphatase 1B, Protein-tyrosine phosphatase 1C, Protein-tyrosine phosphatase alpha, Receptor-type tyrosine-protein phosphatase F (LAR), Tyrosine-Protein Phosphatase (CD45), and Tyrosine-protein phosphatase non-receptor type 22, Uniprot P08575, P10586, P18031, P18433, P24666, P29350, P35236, P51452, Q06124, Q12923, Q9UNH5, and Q9Y2R2
DOI: 10.7270/q2668d67
title: BindingDB Entry 50030171: TBA

description: Small molecule binding data for protein Phospholipase A2, Uniprot P04054
DOI: 10.7270/q2736r40
title: BindingDB Entry 50032117: Purmorphamine activates the Hedgehog pathway by targeting Smoothened.

description: Small molecule binding data for protein G-protein- coupled-like receptor Smoothened (Smo) and Sonic hedgehog protein, Uniprot Q62226 and Q99835
DOI: 10.7270/q29p31kg
title: BindingDB Entry 50029171: TBA

description: Small molecule binding data for protein Angiotensin II type 1a (AT-1a) receptor, Uniprot P34976
DOI: 10.7270/q29z94x7
title: BindingDB Entry 50030170: Effect of Polygonum hydropiper sulfated flavonoids on lens aldose reductase and related enzymes.

description: Small molecule binding data for protein Aldose reductase, Uniprot P80276
DOI: 10.7270/q2bv7gq6
title: BindingDB Entry 50031137: Synthesis and uptake of fluorescence-labeled Combi-molecules by P-glycoprotein-proficient and -deficient uterine sarcoma cells MES-SA and MES-SA/DX5.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2bv7gv0
title: BindingDB Entry 50032116: Small-molecule inhibition of siderophore biosynthesis in Mycobacterium tuberculosis and Yersinia pestis.

description: Small molecule binding data for protein 2,3-dihydroxybenzoate-AMP ligase
DOI: 10.7270/q2dr2vhr
title: BindingDB Entry 50030181: TBA

description: Small molecule binding data for protein Aldehyde dehydrogenase and Aldehyde dehydrogenase, cytosolic 1, Uniprot P11884 and P13601
DOI: 10.7270/q2fb52v1
title: BindingDB Entry 50029170: TBA

description: Small molecule binding data for protein Angiotensin II type 1a (AT-1a) receptor, Uniprot P34976
DOI: 10.7270/q2fn1693
title: BindingDB Entry 50031150: Synthesis and biological evaluation of bupropion analogues as potential pharmacotherapies for smoking cessation.

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot P17787, P23975, P31645, P43681, and Q01959
DOI: 10.7270/q2fq9wnk
title: BindingDB Entry 50030169: Antineoplastic agents. 340. Isolation and structural elucidation of bryostatins 16-18.

description: Small molecule binding data for protein Protein kinase C alpha type, Uniprot P17252
DOI: 10.7270/q2gh9j3h
title: BindingDB Entry 50031136: Interaction of (benzylidene-hydrazono)-1,4-dihydropyridines with beta-amyloid, acetylcholine, and butyrylcholine esterases.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q2gm87ht
title: BindingDB Entry 50032115: Actin is the primary cellular receptor of bistramide A.

description: Small molecule binding data for protein Protein kinase C delta type, Uniprot Q05655
DOI: 10.7270/q2k35tjx
title: BindingDB Entry 50029169: TBA

description: Small molecule binding data for protein Thromboxane A2 receptor, Uniprot P21731
DOI: 10.7270/q2k937nj
title: BindingDB Entry 50031149: Structural insights into the design of small molecule inhibitors that selectively antagonize Mcl-1.

description: Small molecule binding data for protein Bcl-xL/BAK and Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot Q07817 and Q07820
DOI: 10.7270/q2kd1z4s
title: BindingDB Entry 50032122: Enhancement of capillary leakage and restoration of lymphocyte egress by a chiral S1P1 antagonist in vivo.

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor, Uniprot P21453
DOI: 10.7270/q2mc9063
title: BindingDB Entry 50032114: Monocarboxylate transporter MCT1 is a target for immunosuppression.

description: Small molecule binding data for protein Monocarboxylate transporter 1, Uniprot P53985
DOI: 10.7270/q2p84bww
title: BindingDB Entry 50030178: TBA

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Uniprot P08908
DOI: 10.7270/q2pv6k8b
title: BindingDB Entry 50029168: TBA

description: Small molecule binding data for protein Prostanoid TP receptor, Uniprot P21731
DOI: 10.7270/q2q240bt
title: BindingDB Entry 50031148: 1-Alkyl-4-phenyl-6-alkoxy-1H-quinazolin-2-ones: a novel series of potent calcium-sensing receptor antagonists.

description: Small molecule binding data for protein Calcium-sensing receptor (CaSR), Uniprot P41180
DOI: 10.7270/q2r211m0
title: BindingDB Entry 50032113: Discovery of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid (PSI-421), a P-selectin inhibitor with improved pharmacokinetic properties and oral efficacy in models of vascular injury.

description: Small molecule binding data for protein P-selectin/P-selectin glycoprotein ligand 1, Uniprot P16109 and Q14242
DOI: 10.7270/q2sx6d8w
title: BindingDB Entry 50030176: Two fungal lanostane derivatives as phospholipase A2 inhibitors.

description: Small molecule binding data for protein Phospholipase A2, acidic, Uniprot P15445
DOI: 10.7270/q2tm7b1h
title: BindingDB Entry 50029167: TBA

description: Small molecule binding data for protein Prostanoid TP receptor, Uniprot P21731
DOI: 10.7270/q2tt4r2v
title: BindingDB Entry 50031144: Selective benzimidazole inhibitors of the antigen receptor-mediated NF-kappaB activation pathway.

description: Small molecule binding data for protein Cytochrome P450 3A, Uniprot P08684
DOI: 10.7270/q2vt1s9k
title: BindingDB Entry 50032111: Identification of a naturally occurring rexinoid, honokiol, that activates the retinoid X receptor.

description: Small molecule binding data for protein RXR alpha/PPAR gamma, Uniprot P19793
DOI: 10.7270/q2xp74zr
title: BindingDB Entry 50030174: Isolation and structure of leukotriene-A4 hydrolase inhibitor: 8(S)-amino-2(R)-methyl-7-oxononanoic acid produced by Streptomyces diastaticus.

description: Small molecule binding data for protein Angiotensin-converting enzyme and Leukotriene A4 hydrolase, Uniprot P09960 and P12822
DOI: 10.7270/q2zc82s8
title: BindingDB Entry 50029166: TBA

description: Small molecule binding data for protein Endothelin receptor ET-A, Uniprot Q61614
DOI: 10.7270/q2zk5gs5
title: BindingDB Entry 50031140: Synthesis and characterization of novel 1,2,4-triazine derivatives with antiproliferative activity.

description: Small molecule binding data for protein Serum albumin, Uniprot P02768
DOI: 10.7270/q2zk5gv2
title: BindingDB Entry 50032119: Virtual and biomolecular screening converge on a selective agonist for GPR30.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα), Estradiol receptor beta (ERβ), and G-protein coupled estrogen receptor 1, Uniprot P03372, Q92731, and Q99527
DOI: 10.7270/q2154gzh
title: BindingDB Entry 50029188: TBA

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease
DOI: 10.7270/q21c1x08
title: BindingDB Entry 50031166: Differential binding of phenothiazine urea derivatives to wild-type human cholinesterases and butyrylcholinesterase mutants.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q21g0m8s
title: BindingDB Entry 50030184: TBA

description: Small molecule binding data for protein Phospholipase A2, Uniprot P04054
DOI: 10.7270/q2251j4r
title: BindingDB Entry 50029174: TBA

description: Small molecule binding data for protein Neurokinin 1 receptor, Uniprot P25103
DOI: 10.7270/q22b8z60
title: BindingDB Entry 50032126: A clickable inhibitor reveals context-dependent autoactivation of p90 RSK.

description: Small molecule binding data for protein Ribosomal protein S6 kinase alpha 3, Uniprot P51812
DOI: 10.7270/q24x57qc
title: BindingDB Entry 50029187: TBA

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease
DOI: 10.7270/q2571c0h
title: BindingDB Entry 50030183: Cochliobolic acid, a novel metabolite produced by Cochliobolus lunatus, inhibits binding of TGF-alpha to the EGF receptor in a SPA assay.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q25h7gjz
title: BindingDB Entry 50032968: TBA

description: Small molecule binding data for protein D-alanyl-D-alanine carboxypeptidase, Uniprot P39045
DOI: 10.7270/q25x28w6
title: BindingDB Entry 50029172: TBA

description: Small molecule binding data for protein Squalene monooxygenase, Uniprot Q14534
DOI: 10.7270/q2639px9
title: BindingDB Entry 50032125: Structure of acid beta-glucosidase with pharmacological chaperone provides insight into Gaucher disease.

description: Small molecule binding data for protein Glucocerebrosidase (Acid beta-Glucosidase), Uniprot P04062
DOI: 10.7270/q28p60f3
title: BindingDB Entry 50029186: TBA

description: Small molecule binding data for protein Thymidine kinase, cytosolic, Uniprot P04183
DOI: 10.7270/q28w3df0
title: BindingDB Entry 50031164: Discovery and SAR of thiazolidine-2,4-dione analogues as insulin-like growth factor-1 receptor (IGF-1R) inhibitors via hierarchical virtual screening.

description: Small molecule binding data for protein Insulin receptor and Insulin-like growth factor I receptor, Uniprot P06213 and P08069
DOI: 10.7270/q29023sq
title: BindingDB Entry 50030182: Perhydrogenation of tabersonine, ans Aspidiosperma indole alkaloid.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-hydroxytryptamine receptor 1A, and Serotonin 3 (5-HT3) receptor, Uniprot P08908, P28223, and P46098
DOI: 10.7270/q2959hvz
title: BindingDB Entry 50032967: TBA

description: Small molecule binding data for protein Sodium/glucose cotransporter 2 (SGLT2), Uniprot P31639
DOI: 10.7270/q29w0fmt
title: BindingDB Entry 50031151: The discovery of 4-{1-[({2,5-dimethyl-4-[4-(trifluoromethyl)benzyl]-3-thienyl}carbonyl)amino]cyclopropyl}benzoic acid (MK-2894), a potent and selective prostaglandin E2 subtype 4 receptor antagonist.

description: Small molecule binding data for protein G protein-coupled receptor 44, PTGER2, 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 EP1 receptor, Prostanoid EP2 receptor, Prostanoid EP4 receptor, Prostanoid FP receptor, Prostanoid IP receptor, and Prostanoid TP receptor, Uniprot P21731, P34980, P34995, P35408, P43088, P43114, P43115, P43116, P43119, P70597, Q13258, Q62928, and Q9Y5Y4
DOI: 10.7270/q29w0fpq
title: BindingDB Entry 50032124: Forward chemical genetic approach identifies new role for GAPDH in insulin signaling.

description: Small molecule binding data for protein Glyceraldehyde-3-phosphate dehydrogenase and Glyceraldehyde-3-phosphate dehydrogenase liver, Uniprot P04406 and P46406
DOI: 10.7270/q2cr5tcc
title: BindingDB Entry 50030190: Structure and anti-acetylcholinesterase activity of 4 alpha-(hydroxymethyl)-4 alpha-demethylterritrem B.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275
DOI: 10.7270/q2df6r40
title: BindingDB Entry 50029185: TBA

description: Small molecule binding data for protein Angiotensin II receptor, Uniprot P50052
DOI: 10.7270/q2dn4565
title: BindingDB Entry 50031162: A novel insulin secretagogue based on a dinucleoside polyphosphate scaffold.

description: Small molecule binding data for protein Purinergic receptor P2Y1, Uniprot P47900
DOI: 10.7270/q2fn16df
title: BindingDB Entry 50032123: Deconstructing fragment-based inhibitor discovery.

description: Small molecule binding data for protein Beta-lactamase AmpC, Uniprot P00811
DOI: 10.7270/q2hh6k33
title: BindingDB Entry 50030189: Adenosine-1 active ligands: cirsimarin, a flavone glycoside from Microtea debilis.

description: Small molecule binding data for protein Adenosine receptor A1, Uniprot P25099
DOI: 10.7270/q2j38shw
title: BindingDB Entry 50029184: TBA

description: Small molecule binding data for protein Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor, Uniprot P35563 and Q9JJ16
DOI: 10.7270/q2jd4wx3
title: BindingDB Entry 50031160: Design, synthesis and preliminary activity assay of 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid derivatives as novel Histone deacetylases (HDACs) inhibitors.

description: Small molecule binding data for protein Histone deacetylase 8, Uniprot Q9BY41
DOI: 10.7270/q2jh3m61
title: BindingDB Entry 50030179: Four new clerodane diterpenes from the leaves of Casearia guianensis which inhibit the interaction of leukocyte function antigen 1 with intercellular adhesion molecule 1.

description: Small molecule binding data for protein Integrin alpha-L/beta-2 (LFA-1), Uniprot P20701
DOI: 10.7270/q2ng4qw6
title: BindingDB Entry 50032973: 2-(4-carbonylphenyl)benzoxazole inhibitors of CETP: scaffold design and advancement in HDLc-raising efficacy.

description: Small molecule binding data for protein Cholesteryl ester transfer protein, Uniprot P11597
DOI: 10.7270/q2nv9j5d
title: BindingDB Entry 50029179: TBA

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease
DOI: 10.7270/q2p26z7h
title: BindingDB Entry 50031159: Targeting Alzheimer's disease: Novel indanone hybrids bearing a pharmacophoric fragment of AP2238.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q2q52ptn
title: BindingDB Entry 50032121: Small molecule-based reversible reprogramming of cellular lifespan.

description: Small molecule binding data for protein Serine-protein kinase ATM and Serine/threonine-protein kinase ATR, Uniprot Q13315 and Q13535
DOI: 10.7270/q2s182hp
title: BindingDB Entry 50030187: Rigidone, a sesquiterpene o-quinone from the gorgonian Pseudopterogorgia rigida.

description: Small molecule binding data for protein Macrophage scavenger receptor types I and II, Uniprot P21757
DOI: 10.7270/q2s75gmx
title: BindingDB Entry 50032972: Chemical target validation studies of aminopeptidase in malaria parasites using alpha-aminoalkylphosphonate and phosphonopeptide inhibitors.

description: Small molecule binding data for protein Aminopeptidase N, Uniprot P15145
DOI: 10.7270/q2sn08w8
title: BindingDB Entry 50029177: TBA

description: Small molecule binding data for protein 5-enolpyruvylshikimate-3-phosphate synthase, Uniprot P0A6D3
DOI: 10.7270/q2st7px2
title: BindingDB Entry 50031157: 1-(Aryl)-6-[alkoxyalkyl]-3-azabicyclo[3.1.0]hexanes and 6-(aryl)-6-[alkoxyalkyl]-3-azabicyclo[3.1.0]hexanes: a new series of potent and selective triple reuptake inhibitors.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Histamine H1 receptor, SLC6A4, Transporter, and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11712, P33261, P35367, Q12809, and Q60857
DOI: 10.7270/q2sx6df4
title: BindingDB Entry 50032129: Activation of the endocannabinoid system by organophosphorus nerve agents.

description: Small molecule binding data for protein Acetylcholinesterase, Anandamide amidohydrolase, Cannabinoid receptor 1 (CB1R), and Monoglyceride Lipase (MGL), Uniprot O08914, O35678, P21836, and P47746
DOI: 10.7270/q2tt4r56
title: BindingDB Entry 50032120: Chemical modulation of receptor signaling inhibits regenerative angiogenesis in adult zebrafish.

description: Small molecule binding data for protein Platelet-derived growth factor receptor beta and Vascular endothelial growth factor receptor 2, Uniprot P09619 and P35968
DOI: 10.7270/q2wq03tx
title: BindingDB Entry 50030186: Fagomine isomers and glycosides from Xanthocercis zambesiaca.

description: Small molecule binding data for protein alpha-Glucosidase (α-Glucosidase), Uniprot P23739
DOI: 10.7270/q2xd11m0
title: BindingDB Entry 50029175: TBA

description: Small molecule binding data for protein Cholecystokinin receptor, Uniprot P30551 and P56481
DOI: 10.7270/q2xk8fns
title: BindingDB Entry 50031156: Noncovalent tripeptidyl benzyl- and cyclohexyl-amine inhibitors of the cysteine protease caspase-1.

description: Small molecule binding data for protein Caspase-1 and Caspase-8, Uniprot P29466 and Q14790
DOI: 10.7270/q2xk8fr4
title: BindingDB Entry 50032127: Structure-guided development of affinity probes for tyrosine kinases using chemical genetics.

description: Small molecule binding data for protein Epidermal growth factor receptor, SRC, and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P00533, P06241, and P12931
DOI: 10.7270/q20k28k5
title: BindingDB Entry 50030193: TBA

description: Small molecule binding data for protein LTB4R, Uniprot Q15722
DOI: 10.7270/q20r9ppv
title: BindingDB Entry 50032978: Serendipitous discovery of a new class of agonists for the melanocortin 1 and 4 receptors and a new class of cyclophanes.

description: Small molecule binding data for protein Melanocortin receptor 3 (MC3R), Melanocortin receptor 4, Melanocortin receptor 5 (MC5R), and Melanocyte-stimulating hormone receptor, Uniprot P32245, P33032, P41968, and Q01726
DOI: 10.7270/q21c1x3m
title: BindingDB Entry 50032139: Synthesis of N-aryl-3-(indol-3-yl)propanamides and their immunosuppressive activities.

description: Small molecule binding data for protein Homeodomain-interacting protein kinase 1, JAK3/JAK1, Neurotrophic tyrosine kinase receptor, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase PIM, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase Yes, and Vascular endothelial growth factor receptor 2, Uniprot O14965, O60674, P00519, P04629, P07947, P11309, P35968, P52333, and Q86Z02
DOI: 10.7270/q2445mk6
title: BindingDB Entry 50031177: Fragment-based deconstruction of Bcl-xL inhibitors.

description: Small molecule binding data for protein Bcl-xL/BAK, Uniprot Q07817
DOI: 10.7270/q24749w5
title: BindingDB Entry 50030192: TBA

description: Small molecule binding data for protein Xanthine dehydrogenase, Uniprot P80457
DOI: 10.7270/q24j0fd4
title: BindingDB Entry 50032977: Discovery of substituted 3-(phenylamino)benzoic acids as potent and selective inhibitors of type 5 17ß-hydroxysteroid dehydrogenase (AKR1C3).

description: Small molecule binding data for protein 17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) and Aldo-keto reductase family 1 member C2, Uniprot P42330 and P52895
DOI: 10.7270/q2542nqk
title: BindingDB Entry 50031165: Discovery of dipeptides with high affinity to the specific binding site for substance P1-7.

description: Small molecule binding data for protein Neurokinin 1 receptor, Uniprot P14600