Compile Data Set for Download or QSAR

Found 3452 hits with Last Name = 'robl' and Initial = 'ja'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Androgen receptor (Homo sapiens (Human))	BDBM18161 ((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.300	-53.8	n/a	n/a	2.80	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 49: 7596-9 (2006) Article DOI: 10.1021/jm061101w BindingDB Entry DOI: 10.7270/Q2862DQ9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Melanin-concentrating hormone receptor 1 (RAT)	BDBM50120625 (CHEMBL3618330) Show SMILES CNC1CCN(C1)c1ccc(cn1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H21ClN6O/c1-24-18-8-9-27(13-18)21-7-6-19(11-25-21)28-14-26-29-12-16(10-20(29)22(28)30)15-2-4-17(23)5-3-15/h2-7,10-12,14,18,24H,8-9,13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting analysis				Bioorg Med Chem Lett 25: 4412-8 (2015) Article DOI: 10.1016/j.bmcl.2015.09.018 BindingDB Entry DOI: 10.7270/Q2JD4ZMW
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (RAT)	BDBM50241083 (6-(4-chlorophenyl)-3-(3-methoxy-4-(2-(pyrrolidin-1...) Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H24ClN3O3S/c1-31-22-14-19(8-9-21(22)32-13-12-28-10-2-3-11-28)29-16-27-20-15-23(33-24(20)25(29)30)17-4-6-18(26)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at rat MCHR1				Bioorg Med Chem Lett 25: 2793-9 (2015) Article DOI: 10.1016/j.bmcl.2015.05.008 BindingDB Entry DOI: 10.7270/Q29C7053
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50120625 (CHEMBL3618330) Show SMILES CNC1CCN(C1)c1ccc(cn1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H21ClN6O/c1-24-18-8-9-27(13-18)21-7-6-19(11-25-21)28-14-26-29-12-16(10-20(29)22(28)30)15-2-4-17(23)5-3-15/h2-7,10-12,14,18,24H,8-9,13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I][Phe13,Tyr19]-MCH from human MCHR1 expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem Lett 25: 4412-8 (2015) Article DOI: 10.1016/j.bmcl.2015.09.018 BindingDB Entry DOI: 10.7270/Q2JD4ZMW
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (RAT)	BDBM50120624 (CHEMBL3618324) Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H25ClN4O3/c1-32-24-15-21(8-9-23(24)33-13-12-28-10-2-3-11-28)29-17-27-30-16-19(14-22(30)25(29)31)18-4-6-20(26)7-5-18/h4-9,14-17H,2-3,10-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting analysis				Bioorg Med Chem Lett 25: 4412-8 (2015) Article DOI: 10.1016/j.bmcl.2015.09.018 BindingDB Entry DOI: 10.7270/Q2JD4ZMW
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (RAT)	BDBM50120635 (CHEMBL3618325) Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnn2nc(cc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H24ClN5O3/c1-32-23-14-19(8-9-22(23)33-13-12-28-10-2-3-11-28)29-16-26-30-21(24(29)31)15-20(27-30)17-4-6-18(25)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting analysis				Bioorg Med Chem Lett 25: 4412-8 (2015) Article DOI: 10.1016/j.bmcl.2015.09.018 BindingDB Entry DOI: 10.7270/Q2JD4ZMW
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50120624 (CHEMBL3618324) Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H25ClN4O3/c1-32-24-15-21(8-9-23(24)33-13-12-28-10-2-3-11-28)29-17-27-30-16-19(14-22(30)25(29)31)18-4-6-20(26)7-5-18/h4-9,14-17H,2-3,10-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I][Phe13,Tyr19]-MCH from human MCHR1 expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem Lett 25: 4412-8 (2015) Article DOI: 10.1016/j.bmcl.2015.09.018 BindingDB Entry DOI: 10.7270/Q2JD4ZMW
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11542 ((1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxyadamantan-1...) Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2 |r,TLB:15:16:21:20.13.14,THB:17:16:13:20.21.18,17:18:16.15.22:13,19:18:16.15.22:13,15:14:16.22.17:21| Show InChI InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.600	-52.1	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...				J Med Chem 48: 5025-37 (2005) Article DOI: 10.1021/jm050261p BindingDB Entry DOI: 10.7270/Q2FN14DM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50225074 ((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...) Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2 |TLB:1:12:15:20.18.17,THB:13:14:17:22.12.21,13:12:15.14.20:17,21:12:15:20.18.17,21:18:15:22.13.12,19:18:15:22.13.12| Show InChI InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 17: 6476-80 (2007) Article DOI: 10.1016/j.bmcl.2007.09.090 BindingDB Entry DOI: 10.7270/Q2B56JGM
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50120635 (CHEMBL3618325) Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnn2nc(cc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H24ClN5O3/c1-32-23-14-19(8-9-22(23)33-13-12-28-10-2-3-11-28)29-16-26-30-21(24(29)31)15-20(27-30)17-4-6-18(25)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I][Phe13,Tyr19]-MCH from human MCHR1 expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem Lett 25: 4412-8 (2015) Article DOI: 10.1016/j.bmcl.2015.09.018 BindingDB Entry DOI: 10.7270/Q2JD4ZMW
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50120628 (CHEMBL3618334) Show SMILES OC1CN(C1)C1CCN(C1)c1ccc(cn1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H23ClN6O2/c25-18-3-1-16(2-4-18)17-9-22-24(33)30(15-27-31(22)11-17)19-5-6-23(26-10-19)28-8-7-20(12-28)29-13-21(32)14-29/h1-6,9-11,15,20-21,32H,7-8,12-14H2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I][Phe13,Tyr19]-MCH from human MCHR1 expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem Lett 25: 4412-8 (2015) Article DOI: 10.1016/j.bmcl.2015.09.018 BindingDB Entry DOI: 10.7270/Q2JD4ZMW
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (RAT)	BDBM50094880 (CHEMBL3589145) Show SMILES CN[C@H]1CCN(C1)c1ccc(cn1)N1Cc2cn(nc2C1=O)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H21ClN6O/c1-23-16-8-9-26(13-16)19-7-6-18(10-24-19)27-11-14-12-28(25-20(14)21(27)29)17-4-2-15(22)3-5-17/h2-7,10,12,16,23H,8-9,11,13H2,1H3/t16-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at rat MCHR1				Bioorg Med Chem Lett 25: 2793-9 (2015) Article DOI: 10.1016/j.bmcl.2015.05.008 BindingDB Entry DOI: 10.7270/Q29C7053
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50507371 (BMS-823778) Show SMILES CC(C)(O)c1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human 11beta-HSD1 expressed in HEK293 cell microsomes using [3H]cortisone as substrate after 4 hrs by homogeneous immuno-ra...				ACS Med Chem Lett 9: 1170-1174 (2018) Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11541 ((1S,3S,5S)-2-[(2S)-2-(adamantan-1-yl)-2-aminoacety...) Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(C3)C1)C2 |r,TLB:15:16:20:19.13.14,THB:17:16:13:19.20.18,17:18:16.15.21:13,15:14:16.21.17:20| Show InChI InChI=1S/C18H25N3O/c19-9-14-4-13-5-15(13)21(14)17(22)16(20)18-6-10-1-11(7-18)3-12(2-10)8-18/h10-16H,1-8,20H2/t10?,11?,12?,13-,14+,15+,16-,18?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.900	-51.1	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...				J Med Chem 48: 5025-37 (2005) Article DOI: 10.1021/jm050261p BindingDB Entry DOI: 10.7270/Q2FN14DM
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18162 ((1R,6R,7S)-4-(4-nitronaphthalen-1-yl)-2,4-diazatri...) Show SMILES Oc1c2[C@H]3CC[C@H](C3)n2c(=O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |r,wU:6.6,3.7,(12.2,-7.28,;12.6,-8.77,;11.56,-9.96,;10.02,-9.96,;9.25,-11.29,;10.02,-12.62,;11.56,-12.62,;10.02,-11.73,;12.33,-11.29,;13.87,-10.92,;15.03,-11.93,;14,-9.4,;15.49,-9,;16.07,-7.57,;17.59,-7.36,;18.54,-8.57,;20.06,-8.36,;20.83,-9.69,;20.64,-6.93,;17.96,-10,;18.91,-11.21,;18.34,-12.64,;16.81,-12.86,;15.86,-11.64,;16.44,-10.22,)| Show InChI InChI=1S/C18H15N3O4/c22-17-16-10-5-6-11(9-10)19(16)18(23)20(17)14-7-8-15(21(24)25)13-4-2-1-3-12(13)14/h1-4,7-8,10-11,22H,5-6,9H2/t10-,11+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	-50.9	n/a	n/a	385	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 49: 7596-9 (2006) Article DOI: 10.1021/jm061101w BindingDB Entry DOI: 10.7270/Q2862DQ9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50161646 ((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...) Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12 |r| Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at 5-HT2A receptor (unknown origin)				Bioorg Med Chem Lett 23: 330-5 (2012) Article DOI: 10.1016/j.bmcl.2012.10.091 BindingDB Entry DOI: 10.7270/Q2V12656
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50161646 ((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...) Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12 |r| Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at 5-HT2B receptor (unknown origin)				Bioorg Med Chem Lett 23: 330-5 (2012) Article DOI: 10.1016/j.bmcl.2012.10.091 BindingDB Entry DOI: 10.7270/Q2V12656
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11530 ((1S,3S,5S)-2-[(2S)-2-amino-2-(1-ethenylcyclohexyl)...) Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CCCCC1)C=C |r| Show InChI InChI=1S/C16H23N3O/c1-2-16(6-4-3-5-7-16)14(18)15(20)19-12(10-17)8-11-9-13(11)19/h2,11-14H,1,3-9,18H2/t11-,12+,13+,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40	-50.0	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...				J Med Chem 48: 5025-37 (2005) Article DOI: 10.1021/jm050261p BindingDB Entry DOI: 10.7270/Q2FN14DM
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (RAT)	BDBM50120796 (CHEMBL3618363) Show SMILES COc1cc(ccc1OCC(C)O)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H20ClN3O4/c1-14(27)12-30-20-8-7-18(10-21(20)29-2)25-13-24-26-11-16(9-19(26)22(25)28)15-3-5-17(23)6-4-15/h3-11,13-14,27H,12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting analysis				Bioorg Med Chem Lett 25: 4412-8 (2015) Article DOI: 10.1016/j.bmcl.2015.09.018 BindingDB Entry DOI: 10.7270/Q2JD4ZMW
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (RAT)	BDBM50120628 (CHEMBL3618334) Show SMILES OC1CN(C1)C1CCN(C1)c1ccc(cn1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H23ClN6O2/c25-18-3-1-16(2-4-18)17-9-22-24(33)30(15-27-31(22)11-17)19-5-6-23(26-10-19)28-8-7-20(12-28)29-13-21(32)14-29/h1-6,9-11,15,20-21,32H,7-8,12-14H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting analysis				Bioorg Med Chem Lett 25: 4412-8 (2015) Article DOI: 10.1016/j.bmcl.2015.09.018 BindingDB Entry DOI: 10.7270/Q2JD4ZMW
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (RAT)	BDBM50120676 (CHEMBL3618340) Show SMILES CCS(=O)(=O)C[C@@H](O)COc1ccc(cc1OC)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C24H24ClN3O6S/c1-3-35(31,32)14-20(29)13-34-22-9-8-19(11-23(22)33-2)27-15-26-28-12-17(10-21(28)24(27)30)16-4-6-18(25)7-5-16/h4-12,15,20,29H,3,13-14H2,1-2H3/t20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting analysis				Bioorg Med Chem Lett 25: 4412-8 (2015) Article DOI: 10.1016/j.bmcl.2015.09.018 BindingDB Entry DOI: 10.7270/Q2JD4ZMW
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18169 ((7S,7aR)-7-hydroxy-2-(4-nitronaphthalen-1-yl)-hexa...) Show SMILES O[C@H]1CCn2c1c(O)n(-c1ccc([N+]([O-])=O)c3ccccc13)c2=O |r,wD:1.0,(-7.31,4.33,;-6.4,3.09,;-6.88,1.62,;-5.63,.72,;-4.39,1.62,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;4.45,1.37,;4.64,4.03,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,)| Show InChI InChI=1S/C16H13N3O5/c20-13-7-8-17-14(13)15(21)18(16(17)22)11-5-6-12(19(23)24)10-4-2-1-3-9(10)11/h1-6,13,20-21H,7-8H2/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	-49.9	n/a	n/a	281	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 49: 7596-9 (2006) Article DOI: 10.1021/jm061101w BindingDB Entry DOI: 10.7270/Q2862DQ9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18165 ((6R)-6-hydroxy-2-(4-nitronaphthalen-1-yl)-hexahydr...) Show SMILES O[C@@H]1Cc2c(O)n(-c3ccc([N+]([O-])=O)c4ccccc34)c(=O)n2C1 |r,wD:1.0,(-8.34,1.15,;-6.88,1.62,;-6.4,3.09,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;4.45,1.37,;4.64,4.03,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,;-4.39,1.62,;-5.63,.72,)| Show InChI InChI=1S/C16H13N3O5/c20-9-7-14-15(21)18(16(22)17(14)8-9)12-5-6-13(19(23)24)11-4-2-1-3-10(11)12/h1-6,9,20-21H,7-8H2/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	-49.9	n/a	n/a	320	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 49: 7596-9 (2006) Article DOI: 10.1021/jm061101w BindingDB Entry DOI: 10.7270/Q2862DQ9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18164 (2-(4-nitronaphthalen-1-yl)-hexahydro-1H-pyrrolo[1,...) Show SMILES Oc1c2CCCn2c(=O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |(-3.62,5.53,;-3.62,3.99,;-4.86,3.09,;-6.4,3.09,;-6.88,1.62,;-5.63,.72,;-4.39,1.62,;-2.85,1.62,;-1.94,.38,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;4.45,1.37,;4.64,4.03,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,)| Show InChI InChI=1S/C16H13N3O4/c20-15-14-6-3-9-17(14)16(21)18(15)12-7-8-13(19(22)23)11-5-2-1-4-10(11)12/h1-2,4-5,7-8,20H,3,6,9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	-49.6	n/a	n/a	270	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 49: 7596-9 (2006) Article DOI: 10.1021/jm061101w BindingDB Entry DOI: 10.7270/Q2862DQ9
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (RAT)	BDBM50120629 (CHEMBL3618336) Show SMILES COc1cc(ccc1OCC(C)(C)O)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H22ClN3O4/c1-23(2,29)13-31-20-9-8-18(11-21(20)30-3)26-14-25-27-12-16(10-19(27)22(26)28)15-4-6-17(24)7-5-15/h4-12,14,29H,13H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting analysis				Bioorg Med Chem Lett 25: 4412-8 (2015) Article DOI: 10.1016/j.bmcl.2015.09.018 BindingDB Entry DOI: 10.7270/Q2JD4ZMW
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11544 ((1S,3S,5S)-2-[(2S)-2-amino-2-(3-fluoroadamantan-1-...) Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(F)(C3)C1)C2 |r,TLB:15:16:14.20.13:21,THB:17:16:13:20.21.18,17:18:16.15.22:13,19:18:16.15.22:13,15:14:16.22.17:21| Show InChI InChI=1S/C18H24FN3O/c19-18-6-10-1-11(7-18)5-17(4-10,9-18)15(21)16(23)22-13(8-20)2-12-3-14(12)22/h10-15H,1-7,9,21H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.80	-49.4	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...				J Med Chem 48: 5025-37 (2005) Article DOI: 10.1021/jm050261p BindingDB Entry DOI: 10.7270/Q2FN14DM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50492229 (CHEMBL2397890) Show SMILES [H][C@@]12CNCCN1C(=O)c1c(CC)cccc1C2 |r| Show InChI InChI=1S/C14H18N2O/c1-2-10-4-3-5-11-8-12-9-15-6-7-16(12)14(17)13(10)11/h3-5,12,15H,2,6-9H2,1H3/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]LSD from human recombinant 5-HT2B receptor expressed in HEK293E cells after 45 mins by Top counting analysis				Bioorg Med Chem Lett 23: 3914-9 (2013) Article DOI: 10.1016/j.bmcl.2013.04.061 BindingDB Entry DOI: 10.7270/Q2T156KD
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Sus scrofa (pig))	BDBM50287059 ((S)-1-(2-Amino-3-methyl-pentanoyl)-pyrrolidine-2-c...) Show SMILES CCC(C)C(N)C(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C11H19N3O/c1-3-8(2)10(13)11(15)14-6-4-5-9(14)7-12/h8-10H,3-6,13H2,1-2H3/t8?,9-,10?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of porcine Dipeptidylpeptidase IV.				J Med Chem 47: 2587-98 (2004) Article DOI: 10.1021/jm049924d BindingDB Entry DOI: 10.7270/Q2FT8MSQ
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50212876 (2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid | CHE...) Show SMILES OC(=O)c1cccc(OCc2ccc(Cl)cc2Cl)c1OCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C21H14Cl4O4/c22-14-6-4-12(17(24)8-14)10-28-19-3-1-2-16(21(26)27)20(19)29-11-13-5-7-15(23)9-18(13)25/h1-9H,10-11H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers-Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from aFABP by fluorescence based-assay				Bioorg Med Chem Lett 17: 3511-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.044 BindingDB Entry DOI: 10.7270/Q24B3119
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM50212876 (2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid | CHE...) Show SMILES OC(=O)c1cccc(OCc2ccc(Cl)cc2Cl)c1OCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C21H14Cl4O4/c22-14-6-4-12(17(24)8-14)10-28-19-3-1-2-16(21(26)27)20(19)29-11-13-5-7-15(23)9-18(13)25/h1-9H,10-11H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers-Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from eFABP by fluorescence based-assay				Bioorg Med Chem Lett 17: 3511-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.044 BindingDB Entry DOI: 10.7270/Q24B3119
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11543 ((1S,3S,5S)-2-[(2S)-2-amino-2-(3,5-dihydroxyadamant...) Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(O)(CC(O)(C3)C1)C2 |r,TLB:21:14:23:18.22.19,21:19:14.15.13:23,20:19:14.15.13:23,17:16:14.13.21:22,15:16:14.13.21:22,THB:15:14:22:18.23.16| Show InChI InChI=1S/C18H25N3O3/c19-6-12-1-11-2-13(11)21(12)15(22)14(20)16-3-10-4-17(23,7-16)9-18(24,5-10)8-16/h10-14,23-24H,1-5,7-9,20H2/t10?,11-,12+,13+,14-,16?,17?,18?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.10	-49.0	n/a	n/a	n/a	n/a	n/a	7.4	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...				J Med Chem 48: 5025-37 (2005) Article DOI: 10.1021/jm050261p BindingDB Entry DOI: 10.7270/Q2FN14DM
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18168 ((7R,7aS)-7-hydroxy-2-(4-nitronaphthalen-1-yl)-hexa...) Show SMILES O[C@@H]1CCn2c1c(O)n(-c1ccc([N+]([O-])=O)c3ccccc13)c2=O |r,wU:1.0,(-7.31,4.33,;-6.4,3.09,;-6.88,1.62,;-5.63,.72,;-4.39,1.62,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;4.45,1.37,;4.64,4.03,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,)| Show InChI InChI=1S/C16H13N3O5/c20-13-7-8-17-14(13)15(21)18(16(17)22)11-5-6-12(19(23)24)10-4-2-1-3-9(10)11/h1-6,13,20-21H,7-8H2/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.10	-49.0	n/a	n/a	1.5	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 49: 7596-9 (2006) Article DOI: 10.1021/jm061101w BindingDB Entry DOI: 10.7270/Q2862DQ9
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50120629 (CHEMBL3618336) Show SMILES COc1cc(ccc1OCC(C)(C)O)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H22ClN3O4/c1-23(2,29)13-31-20-9-8-18(11-21(20)30-3)26-14-25-27-12-16(10-19(27)22(26)28)15-4-6-17(24)7-5-15/h4-12,14,29H,13H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I][Phe13,Tyr19]-MCH from human MCHR1 expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem Lett 25: 4412-8 (2015) Article DOI: 10.1016/j.bmcl.2015.09.018 BindingDB Entry DOI: 10.7270/Q2JD4ZMW
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (RAT)	BDBM50120670 (CHEMBL3618338) Show SMILES COc1cc(ccc1N1C[C@H](O)[C@H](O)C1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H21ClN4O4/c1-32-22-9-17(6-7-18(22)26-11-20(29)21(30)12-26)27-13-25-28-10-15(8-19(28)23(27)31)14-2-4-16(24)5-3-14/h2-10,13,20-21,29-30H,11-12H2,1H3/t20-,21+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting analysis				Bioorg Med Chem Lett 25: 4412-8 (2015) Article DOI: 10.1016/j.bmcl.2015.09.018 BindingDB Entry DOI: 10.7270/Q2JD4ZMW
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50120676 (CHEMBL3618340) Show SMILES CCS(=O)(=O)C[C@@H](O)COc1ccc(cc1OC)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C24H24ClN3O6S/c1-3-35(31,32)14-20(29)13-34-22-9-8-19(11-23(22)33-2)27-15-26-28-12-17(10-21(28)24(27)30)16-4-6-18(25)7-5-16/h4-12,15,20,29H,3,13-14H2,1-2H3/t20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I][Phe13,Tyr19]-MCH from human MCHR1 expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem Lett 25: 4412-8 (2015) Article DOI: 10.1016/j.bmcl.2015.09.018 BindingDB Entry DOI: 10.7270/Q2JD4ZMW
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50192462 ((S)-2-(2,3-bis(2-chlorobenzyloxy)phenyl)-2-hydroxy...) Show SMILES O[C@H](C(O)=O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl Show InChI InChI=1S/C22H18Cl2O5/c23-17-9-3-1-6-14(17)12-28-19-11-5-8-16(20(25)22(26)27)21(19)29-13-15-7-2-4-10-18(15)24/h1-11,20,25H,12-13H2,(H,26,27)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to ap2				J Med Chem 49: 5013-7 (2006) Article DOI: 10.1021/jm060360i BindingDB Entry DOI: 10.7270/Q2TQ6157
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (RAT)	BDBM50120634 (CHEMBL3618326) Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnn2cc(nc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H24ClN5O3/c1-32-22-14-19(8-9-21(22)33-13-12-28-10-2-3-11-28)29-16-26-30-15-20(27-23(30)24(29)31)17-4-6-18(25)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting analysis				Bioorg Med Chem Lett 25: 4412-8 (2015) Article DOI: 10.1016/j.bmcl.2015.09.018 BindingDB Entry DOI: 10.7270/Q2JD4ZMW
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50212885 (CHEMBL245282 | [2'-(1-methyl-4,5-diphenyl-1H-imida...) Show SMILES Cn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(NCC(O)=O)c1 Show InChI InChI=1S/C30H25N3O2/c1-33-29(22-13-6-3-7-14-22)28(21-11-4-2-5-12-21)32-30(33)26-18-9-8-17-25(26)23-15-10-16-24(19-23)31-20-27(34)35/h2-19,31H,20H2,1H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers-Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from aFABP by fluorescence based-assay				Bioorg Med Chem Lett 17: 3511-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.044 BindingDB Entry DOI: 10.7270/Q24B3119
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (RAT)	BDBM50120633 (CHEMBL3618327) Show SMILES COc1cc(ccc1OCC(O)C1CC1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H22ClN3O4/c1-31-23-11-19(8-9-22(23)32-13-21(29)16-2-3-16)27-14-26-28-12-17(10-20(28)24(27)30)15-4-6-18(25)7-5-15/h4-12,14,16,21,29H,2-3,13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting analysis				Bioorg Med Chem Lett 25: 4412-8 (2015) Article DOI: 10.1016/j.bmcl.2015.09.018 BindingDB Entry DOI: 10.7270/Q2JD4ZMW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50309343 (8-methyl-2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7...) Show SMILES Cc1cccc2N3CCNCCC3NC(=O)c12 Show InChI InChI=1S/C13H17N3O/c1-9-3-2-4-10-12(9)13(17)15-11-5-6-14-7-8-16(10)11/h2-4,11,14H,5-8H2,1H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293E cells				Bioorg Med Chem Lett 20: 1128-33 (2010) Article DOI: 10.1016/j.bmcl.2009.12.014 BindingDB Entry DOI: 10.7270/Q2K074DK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50225073 ((S)-2-amino-1-(1S,5R)-2-aza-bicyclo[3.1.0]hex-2-yl...) Show SMILES CC12CC3(C)CC(O)(C1)CC(C2)(C3)[C@H](N)C(=O)N1CC[C@@H]2C[C@H]12 |w:1.0,3.3,TLB:12:10:8:5.3.2,13:10:8:5.3.2,THB:12:3:9.10.11:8,2:3:9:11.1.8,2:1:9:5.12.3,TEB:4:3:9:11.1.8,4:3:9.10.11:8,0:1:9:5.12.3,0:1:5:9.10.12| Show InChI InChI=1S/C19H30N2O2/c1-16-6-17(2)8-18(7-16,11-19(23,9-16)10-17)14(20)15(22)21-4-3-12-5-13(12)21/h12-14,23H,3-11,20H2,1-2H3/t12-,13+,14-,16?,17?,18?,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 17: 6476-80 (2007) Article DOI: 10.1016/j.bmcl.2007.09.090 BindingDB Entry DOI: 10.7270/Q2B56JGM
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM103905 (JNK3 inhibitor 2 | US8563583, C-1) Show SMILES COc1cc(ccc1OCCO)-n1ccc(cc1=O)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C21H18F3NO5/c1-28-19-13-16(4-7-18(19)29-11-10-26)25-9-8-15(12-20(25)27)14-2-5-17(6-3-14)30-21(22,23)24/h2-9,12-13,26H,10-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Compounds were characterized in an in vitro binding assay to determine their Ki or ability to antagonized binding of a peptide agonist to the human m...				US Patent US8563583 (2013) BindingDB Entry DOI: 10.7270/Q22F7M2Q
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM50192463 (2-(2,3-bis(2-chlorobenzyloxy)phenyl)acetic acid | ...) Show SMILES OC(=O)Cc1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl Show InChI InChI=1S/C22H18Cl2O4/c23-18-9-3-1-6-16(18)13-27-20-11-5-8-15(12-21(25)26)22(20)28-14-17-7-2-4-10-19(17)24/h1-11H,12-14H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to human kFABP				J Med Chem 49: 5013-7 (2006) Article DOI: 10.1021/jm060360i BindingDB Entry DOI: 10.7270/Q2TQ6157
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50120670 (CHEMBL3618338) Show SMILES COc1cc(ccc1N1C[C@H](O)[C@H](O)C1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H21ClN4O4/c1-32-22-9-17(6-7-18(22)26-11-20(29)21(30)12-26)27-13-25-28-10-15(8-19(28)23(27)31)14-2-4-16(24)5-3-14/h2-10,13,20-21,29-30H,11-12H2,1H3/t20-,21+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I][Phe13,Tyr19]-MCH from human MCHR1 expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem Lett 25: 4412-8 (2015) Article DOI: 10.1016/j.bmcl.2015.09.018 BindingDB Entry DOI: 10.7270/Q2JD4ZMW
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18171 (4-[(7R,7aS)-7-hydroxy-1,3-dioxo-hexahydro-1H-pyrro...) Show SMILES O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c3ccccc13)c2=O |r,wU:1.0,(-7.31,4.33,;-6.4,3.09,;-6.88,1.62,;-5.63,.72,;-4.39,1.62,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;5.32,2.76,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,)| Show InChI InChI=1S/C17H13N3O3/c18-9-10-5-6-13(12-4-2-1-3-11(10)12)20-16(22)15-14(21)7-8-19(15)17(20)23/h1-6,14,21-22H,7-8H2/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	3.20	-48.0	n/a	n/a	2.30	n/a	n/a	7.4	22
Bristol-Myers Squibb Company					Assay Description Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (E...				J Med Chem 49: 7596-9 (2006) Article DOI: 10.1021/jm061101w BindingDB Entry DOI: 10.7270/Q2862DQ9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50212884 (CHEMBL245284 | [2'-(1-ethyl-4,5-diphenyl-1H-imidaz...) Show SMILES CCn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(OCC(O)=O)c1 Show InChI InChI=1S/C31H26N2O3/c1-2-33-30(23-14-7-4-8-15-23)29(22-12-5-3-6-13-22)32-31(33)27-19-10-9-18-26(27)24-16-11-17-25(20-24)36-21-28(34)35/h3-20H,2,21H2,1H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers-Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid from aFABP				Bioorg Med Chem Lett 17: 3511-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.044 BindingDB Entry DOI: 10.7270/Q24B3119
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50120675 (CHEMBL3618339) Show SMILES COc1cc(ccc1OCC1(O)CC(F)(F)C1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H20ClF2N3O4/c1-33-21-9-18(6-7-20(21)34-13-23(32)11-24(26,27)12-23)29-14-28-30-10-16(8-19(30)22(29)31)15-2-4-17(25)5-3-15/h2-10,14,32H,11-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I][Phe13,Tyr19]-MCH from human MCHR1 expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem Lett 25: 4412-8 (2015) Article DOI: 10.1016/j.bmcl.2015.09.018 BindingDB Entry DOI: 10.7270/Q2JD4ZMW
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50212877 (CHEMBL245653 | [2'-(1-ethyl-4,5-diphenyl-1H-imidaz...) Show SMILES CCn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(NCC(O)=O)c1 Show InChI InChI=1S/C31H27N3O2/c1-2-34-30(23-14-7-4-8-15-23)29(22-12-5-3-6-13-22)33-31(34)27-19-10-9-18-26(27)24-16-11-17-25(20-24)32-21-28(35)36/h3-20,32H,2,21H2,1H3,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers-Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from aFABP by fluorescence based-assay				Bioorg Med Chem Lett 17: 3511-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.044 BindingDB Entry DOI: 10.7270/Q24B3119
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50212886 (CHEMBL247529 | [2'-(3-ethyl-4,5-diphenyl-furan-2-y...) Show SMILES CCc1c(oc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(OCC(O)=O)c1 Show InChI InChI=1S/C32H26O4/c1-2-26-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)36-32(26)28-19-10-9-18-27(28)24-16-11-17-25(20-24)35-21-29(33)34/h3-20H,2,21H2,1H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers-Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from aFABP by fluorescence based-assay				Bioorg Med Chem Lett 17: 3511-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.044 BindingDB Entry DOI: 10.7270/Q24B3119
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50120633 (CHEMBL3618327) Show SMILES COc1cc(ccc1OCC(O)C1CC1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H22ClN3O4/c1-31-23-11-19(8-9-22(23)32-13-21(29)16-2-3-16)27-14-26-28-12-17(10-20(28)24(27)30)15-4-6-18(25)7-5-15/h4-12,14,16,21,29H,2-3,13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [125I][Phe13,Tyr19]-MCH from human MCHR1 expressed in HEK293 cells by scintillation counting analysis				Bioorg Med Chem Lett 25: 4412-8 (2015) Article DOI: 10.1016/j.bmcl.2015.09.018 BindingDB Entry DOI: 10.7270/Q2JD4ZMW
					More data for this Ligand-Target Pair

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