Compile Data Set for Download or QSAR

Found 232 hits with Last Name = 'carpenter' and Initial = 'aj'   

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
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50140282 (1-{4-[4-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-hyd...) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCc2ccc(C[N+]34CCN(CC3)CC4)cc2)cc1)N(C)C Show InChI InChI=1S/C40H56N3O4S/c1-5-7-19-40(20-8-6-2)30-48(45,46)37-18-15-34(41(3)4)27-36(37)38(39(40)44)33-13-16-35(17-14-33)47-29-32-11-9-31(10-12-32)28-43-24-21-42(22-25-43)23-26-43/h9-18,27,38-39,44H,5-8,19-26,28-30H2,1-4H3/q+1/t38-,39-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50172695 (CHEMBL370103 | {2-[3-((4R,5R)-3,3-Dibutyl-7-dimeth...) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(NCC(=O)NCC(O)=O)c1)N(C)C Show InChI InChI=1S/C30H43N3O6S/c1-5-7-14-30(15-8-6-2)20-40(38,39)25-13-12-23(33(3)4)17-24(25)28(29(30)37)21-10-9-11-22(16-21)31-18-26(34)32-19-27(35)36/h9-13,16-17,28-29,31,37H,5-8,14-15,18-20H2,1-4H3,(H,32,34)(H,35,36)/t28-,29-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50172649 (1-{5-[4-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-hyd...) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCCCC[N+]23CCN(CC2)CC3)cc1)N(C)C Show InChI InChI=1S/C37H58N3O4S/c1-5-7-18-37(19-8-6-2)29-45(42,43)34-17-14-31(38(3)4)28-33(34)35(36(37)41)30-12-15-32(16-13-30)44-27-11-9-10-23-40-24-20-39(21-25-40)22-26-40/h12-17,28,35-36,41H,5-11,18-27,29H2,1-4H3/q+1/t35-,36-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50172702 (4-[4-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-hydrox...) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCc2cc[n+](C)cc2)cc1)N(C)C Show InChI InChI=1S/C33H45N2O4S/c1-6-8-18-33(19-9-7-2)24-40(37,38)30-15-12-27(34(3)4)22-29(30)31(32(33)36)26-10-13-28(14-11-26)39-23-25-16-20-35(5)21-17-25/h10-17,20-22,31-32,36H,6-9,18-19,23-24H2,1-5H3/q+1/t31-,32-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50370667 (CHEMBL555246) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(NC(=O)CCCC[N+](CC)(CC)CC)c1)N(C)C |r| Show InChI InChI=1S/C37H59N3O4S/c1-8-13-23-37(24-14-9-2)28-45(43,44)33-22-21-31(39(6)7)27-32(33)35(36(37)42)29-18-17-19-30(26-29)38-34(41)20-15-16-25-40(10-3,11-4)12-5/h17-19,21-22,26-27,35-36,42H,8-16,20,23-25,28H2,1-7H3/p+1/t35-,36-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50172668 (1-{4-[4-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-hyd...) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCc2ccc(C[n+]3ccccc3)cc2)cc1)N(C)C Show InChI InChI=1S/C39H49N2O4S/c1-5-7-22-39(23-8-6-2)29-46(43,44)36-21-18-33(40(3)4)26-35(36)37(38(39)42)32-16-19-34(20-17-32)45-28-31-14-12-30(13-15-31)27-41-24-10-9-11-25-41/h9-21,24-26,37-38,42H,5-8,22-23,27-29H2,1-4H3/q+1/t37-,38-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50172709 (1-{4-[4-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-hyd...) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCCC[N+]23CCN(CC2)CC3)cc1)N(C)C Show InChI InChI=1S/C36H56N3O4S/c1-5-7-17-36(18-8-6-2)28-44(41,42)33-16-13-30(37(3)4)27-32(33)34(35(36)40)29-11-14-31(15-12-29)43-26-10-9-22-39-23-19-38(20-24-39)21-25-39/h11-16,27,34-35,40H,5-10,17-26,28H2,1-4H3/q+1/t34-,35-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50422890 (CHEMBL213813) Show SMILES Cc1nc2cc(ccc2n1CCCO)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H19ClN4O2S/c1-14-26-18-11-17(7-8-20(18)27(14)9-2-10-29)28-13-25-19-12-21(31-22(19)23(28)30)15-3-5-16(24)6-4-15/h3-8,11-13,29H,2,9-10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass...				Bioorg Med Chem Lett 16: 4994-5000 (2006) Article DOI: 10.1016/j.bmcl.2006.07.054 BindingDB Entry DOI: 10.7270/Q2833T97
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50422916 (CHEMBL215643) Show SMILES CN(C)c1nc2ccc(cc2n1C)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H18ClN5OS/c1-26(2)22-25-16-9-8-15(10-18(16)27(22)3)28-12-24-17-11-19(30-20(17)21(28)29)13-4-6-14(23)7-5-13/h4-12H,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass...				Bioorg Med Chem Lett 16: 4994-5000 (2006) Article DOI: 10.1016/j.bmcl.2006.07.054 BindingDB Entry DOI: 10.7270/Q2833T97
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50172667 (4-[3-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-hydrox...) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2C(C1O)c1cccc(c1)[NH+]=c1ccn(C)cc1)N(C)C |(10.23,3.17,;10.24,1.63,;8.91,.86,;8.92,-.68,;7.59,-1.45,;8.92,-2.22,;10.25,-1.45,;11.58,-2.22,;12.91,-1.45,;6.91,-.05,;5.4,.26,;4.3,1.35,;6.16,1.6,;4.18,-.73,;2.85,.04,;1.52,-.73,;1.52,-2.27,;2.85,-3.04,;4.2,-2.27,;5.42,-3.23,;6.94,-2.88,;8.03,-3.97,;5.09,-4.74,;3.62,-5.19,;3.3,-6.7,;4.43,-7.73,;5.91,-7.26,;6.23,-5.76,;7.05,-8.29,;8.59,-8.29,;9.36,-9.62,;10.9,-9.62,;11.67,-8.29,;13.68,-8.27,;10.88,-6.96,;9.34,-6.96,;.19,-3.04,;-1.16,-2.27,;.17,-4.58,)| Show InChI InChI=1S/C32H43N3O3S/c1-6-8-17-32(18-9-7-2)23-39(37,38)29-14-13-27(34(3)4)22-28(29)30(31(32)36)24-11-10-12-26(21-24)33-25-15-19-35(5)20-16-25/h10-16,19-22,30-31,36H,6-9,17-18,23H2,1-5H3/p+1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50172681 ((Carboxymethyl-{4-[4-((4R,5R)-3,3-dibutyl-7-dimeth...) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCc2ccc(CN(CC(O)=O)CC(O)=O)cc2)cc1)N(C)C Show InChI InChI=1S/C38H50N2O8S/c1-5-7-19-38(20-8-6-2)26-49(46,47)33-18-15-30(39(3)4)21-32(33)36(37(38)45)29-13-16-31(17-14-29)48-25-28-11-9-27(10-12-28)22-40(23-34(41)42)24-35(43)44/h9-18,21,36-37,45H,5-8,19-20,22-26H2,1-4H3,(H,41,42)(H,43,44)/t36-,37-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50370670 (CHEMBL540126) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCCCC[N+](CC)(CC)CC)cc1)N(C)C |r| Show InChI InChI=1S/C37H61N2O4S/c1-8-13-24-37(25-14-9-2)29-44(41,42)34-23-20-31(38(6)7)28-33(34)35(36(37)40)30-18-21-32(22-19-30)43-27-17-15-16-26-39(10-3,11-4)12-5/h18-23,28,35-36,40H,8-17,24-27,29H2,1-7H3/q+1/t35-,36-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50172652 ((4R,5R)-5-(3-Amino-phenyl)-3,3-dibutyl-7-dimethyla...) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(N)c1)N(C)C Show InChI InChI=1S/C26H38N2O3S/c1-5-7-14-26(15-8-6-2)18-32(30,31)23-13-12-21(28(3)4)17-22(23)24(25(26)29)19-10-9-11-20(27)16-19/h9-13,16-17,24-25,29H,5-8,14-15,18,27H2,1-4H3/t24-,25-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50172608 ((4R,5R)-3,3-Dibutyl-7-dimethylamino-9-methoxy-5-(4...) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2c(OC)cc(cc2[C@H]([C@H]1O)c1ccc(OC)cc1)N(C)C Show InChI InChI=1S/C28H41NO5S/c1-7-9-15-28(16-10-8-2)19-35(31,32)26-23(17-21(29(3)4)18-24(26)34-6)25(27(28)30)20-11-13-22(33-5)14-12-20/h11-14,17-18,25,27,30H,7-10,15-16,19H2,1-6H3/t25-,27-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in Baby hamster cells expressing human IBAT				J Med Chem 48: 5837-52 (2005) Article DOI: 10.1021/jm040215+ BindingDB Entry DOI: 10.7270/Q26M37MS
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50370669 (CHEMBL555022) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(OCCCCC[N+](CC)(CC)CC)c1)N(C)C |r| Show InChI InChI=1S/C37H61N2O4S/c1-8-13-23-37(24-14-9-2)29-44(41,42)34-22-21-31(38(6)7)28-33(34)35(36(37)40)30-19-18-20-32(27-30)43-26-17-15-16-25-39(10-3,11-4)12-5/h18-22,27-28,35-36,40H,8-17,23-26,29H2,1-7H3/q+1/t35-,36-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50422893 (CHEMBL384724) Show SMILES Cc1nc2cc(ccc2n1CCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H24ClN5OS/c1-17-29-21-14-20(8-9-23(21)31(17)13-12-30-10-2-3-11-30)32-16-28-22-15-24(34-25(22)26(32)33)18-4-6-19(27)7-5-18/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	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass...				Bioorg Med Chem Lett 16: 4994-5000 (2006) Article DOI: 10.1016/j.bmcl.2006.07.054 BindingDB Entry DOI: 10.7270/Q2833T97
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50172661 ((4R,5R)-3,3-Dibutyl-7-dimethylamino-5-(4-hydroxy-p...) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(O)cc1)N(C)C Show InChI InChI=1S/C26H37NO4S/c1-5-7-15-26(16-8-6-2)18-32(30,31)23-14-11-20(27(3)4)17-22(23)24(25(26)29)19-9-12-21(28)13-10-19/h9-14,17,24-25,28-29H,5-8,15-16,18H2,1-4H3/t24-,25-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50172690 ((Carboxymethyl-{5-[4-((4R,5R)-3,3-dibutyl-7-dimeth...) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCCCCN(CC(O)=O)CC(O)=O)cc1)N(C)C Show InChI InChI=1S/C35H52N2O8S/c1-5-7-18-35(19-8-6-2)25-46(43,44)30-17-14-27(36(3)4)22-29(30)33(34(35)42)26-12-15-28(16-13-26)45-21-11-9-10-20-37(23-31(38)39)24-32(40)41/h12-17,22,33-34,42H,5-11,18-21,23-25H2,1-4H3,(H,38,39)(H,40,41)/t33-,34-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50422903 (CHEMBL214716) Show SMILES CN(C)c1nc2ccc(cc2[nH]1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H16ClN5OS/c1-26(2)21-24-15-8-7-14(9-16(15)25-21)27-11-23-17-10-18(29-19(17)20(27)28)12-3-5-13(22)6-4-12/h3-11H,1-2H3,(H,24,25)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass...				Bioorg Med Chem Lett 16: 4994-5000 (2006) Article DOI: 10.1016/j.bmcl.2006.07.054 BindingDB Entry DOI: 10.7270/Q2833T97
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50172675 (1-[2-(2-{2-[4-((4R,5R)-3,3-Dibutyl-7-dimethylamino...) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCOCCOCC[NH+]2CCCN(C)CCN(C)CCCN(C)CC2)c(F)c1)N(C)C Show InChI InChI=1S/C45H76FN5O6S/c1-8-10-18-45(19-11-9-2)36-58(53,54)42-17-15-38(47(3)4)35-39(42)43(44(45)52)37-14-16-41(40(46)34-37)57-33-32-56-31-30-55-29-28-51-23-13-22-49(6)25-24-48(5)20-12-21-50(7)26-27-51/h14-17,34-35,43-44,52H,8-13,18-33,36H2,1-7H3/p+1/t43-,44-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50370665 (CHEMBL555024) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCOCCOCC[N+](CC)(CC)CC)cc1)N(C)C |r| Show InChI InChI=1S/C38H63N2O6S/c1-8-13-21-38(22-14-9-2)30-47(42,43)35-20-17-32(39(6)7)29-34(35)36(37(38)41)31-15-18-33(19-16-31)46-28-27-45-26-25-44-24-23-40(10-3,11-4)12-5/h15-20,29,36-37,41H,8-14,21-28,30H2,1-7H3/q+1/t36-,37-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in Baby hamster cells expressing human IBAT				J Med Chem 48: 5837-52 (2005) Article DOI: 10.1021/jm040215+ BindingDB Entry DOI: 10.7270/Q26M37MS
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50370665 (CHEMBL555024) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCOCCOCC[N+](CC)(CC)CC)cc1)N(C)C |r| Show InChI InChI=1S/C38H63N2O6S/c1-8-13-21-38(22-14-9-2)30-47(42,43)35-20-17-32(39(6)7)29-34(35)36(37(38)41)31-15-18-33(19-16-31)46-28-27-45-26-25-44-24-23-40(10-3,11-4)12-5/h15-20,29,36-37,41H,8-14,21-28,30H2,1-7H3/q+1/t36-,37-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50422887 (CHEMBL215868) Show SMILES Clc1ccc(cc1)-c1cc2ncn(-c3ccc4nc([nH]c4c3)N3CCCC3)c(=O)c2s1 Show InChI InChI=1S/C23H18ClN5OS/c24-15-5-3-14(4-6-15)20-12-19-21(31-20)22(30)29(13-25-19)16-7-8-17-18(11-16)27-23(26-17)28-9-1-2-10-28/h3-8,11-13H,1-2,9-10H2,(H,26,27)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass...				Bioorg Med Chem Lett 16: 4994-5000 (2006) Article DOI: 10.1016/j.bmcl.2006.07.054 BindingDB Entry DOI: 10.7270/Q2833T97
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50422896 (CHEMBL214705) Show SMILES CCOc1ccc(cc1)-n1c(C)nc2cc(ccc12)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H21ClN4O2S/c1-3-35-22-11-8-20(9-12-22)33-17(2)31-23-14-21(10-13-25(23)33)32-16-30-24-15-26(36-27(24)28(32)34)18-4-6-19(29)7-5-18/h4-16H,3H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass...				Bioorg Med Chem Lett 16: 4994-5000 (2006) Article DOI: 10.1016/j.bmcl.2006.07.054 BindingDB Entry DOI: 10.7270/Q2833T97
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50172700 ((4R,5R)-3,3-Dibutyl-7-dimethylamino-5-(3-fluoro-4-...) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OC)c(F)c1)N(C)C Show InChI InChI=1S/C27H38FNO4S/c1-6-8-14-27(15-9-7-2)18-34(31,32)24-13-11-20(29(3)4)17-21(24)25(26(27)30)19-10-12-23(33-5)22(28)16-19/h10-13,16-17,25-26,30H,6-9,14-15,18H2,1-5H3/t25-,26-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50172680 (CHEMBL426152 | [3-((2R,3R)-3,3-Dibutyl-7-dimethyla...) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(CS(O)(=O)=O)c1)N(C)C Show InChI InChI=1S/C27H39NO6S2/c1-5-7-14-27(15-8-6-2)19-35(30,31)24-13-12-22(28(3)4)17-23(24)25(26(27)29)21-11-9-10-20(16-21)18-36(32,33)34/h9-13,16-17,25-26,29H,5-8,14-15,18-19H2,1-4H3,(H,32,33,34)/t25-,26-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50172706 (1-[2-(2-{2-[4-((4R,5R)-3,3-Dibutyl-7-dimethylamino...) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCOCCOCC[N+]23CCN(CC2)CC3)cc1)N(C)C Show InChI InChI=1S/C38H60N3O6S/c1-5-7-15-38(16-8-6-2)30-48(43,44)35-14-11-32(39(3)4)29-34(35)36(37(38)42)31-9-12-33(13-10-31)47-28-27-46-26-25-45-24-23-41-20-17-40(18-21-41)19-22-41/h9-14,29,36-37,42H,5-8,15-28,30H2,1-4H3/q+1/t36-,37-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50172688 (CHEMBL194420 | [2-(2-{2-[4-((4R,5R)-3,3-Dibutyl-7-...) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCOCCOCC[N+](C)(C)C)cc1)N(C)C Show InChI InChI=1S/C35H57N2O6S/c1-8-10-18-35(19-11-9-2)27-44(39,40)32-17-14-29(36(3)4)26-31(32)33(34(35)38)28-12-15-30(16-13-28)43-25-24-42-23-22-41-21-20-37(5,6)7/h12-17,26,33-34,38H,8-11,18-25,27H2,1-7H3/q+1/t33-,34-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50172653 (1-{3-[4-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-hyd...) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCC[N+]23CCN(CC2)CC3)cc1)N(C)C Show InChI InChI=1S/C35H54N3O4S/c1-5-7-16-35(17-8-6-2)27-43(40,41)32-15-12-29(36(3)4)26-31(32)33(34(35)39)28-10-13-30(14-11-28)42-25-9-21-38-22-18-37(19-23-38)20-24-38/h10-15,26,33-34,39H,5-9,16-25,27H2,1-4H3/q+1/t33-,34-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50422912 (CHEMBL214476) Show SMILES CNc1nc2ccc(cc2[nH]1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H14ClN5OS/c1-22-20-24-14-7-6-13(8-15(14)25-20)26-10-23-16-9-17(28-18(16)19(26)27)11-2-4-12(21)5-3-11/h2-10H,1H3,(H2,22,24,25)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass...				Bioorg Med Chem Lett 16: 4994-5000 (2006) Article DOI: 10.1016/j.bmcl.2006.07.054 BindingDB Entry DOI: 10.7270/Q2833T97
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50172650 ((Carboxymethyl-{6-[4-((4R,5R)-3,3-dibutyl-7-dimeth...) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCc2cccc(CN(CC(O)=O)CC(O)=O)n2)cc1)N(C)C Show InChI InChI=1S/C37H49N3O8S/c1-5-7-18-37(19-8-6-2)25-49(46,47)32-17-14-29(39(3)4)20-31(32)35(36(37)45)26-12-15-30(16-13-26)48-24-28-11-9-10-27(38-28)21-40(22-33(41)42)23-34(43)44/h9-17,20,35-36,45H,5-8,18-19,21-25H2,1-4H3,(H,41,42)(H,43,44)/t35-,36-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50172671 ((4R,5R)-3,3-Dibutyl-7-dimethylamino-5-(3-hydroxyme...) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(CO)c1)N(C)C Show InChI InChI=1S/C27H39NO4S/c1-5-7-14-27(15-8-6-2)19-33(31,32)24-13-12-22(28(3)4)17-23(24)25(26(27)30)21-11-9-10-20(16-21)18-29/h9-13,16-17,25-26,29-30H,5-8,14-15,18-19H2,1-4H3/t25-,26-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50172701 ((4R,5R)-3,3-Dibutyl-7-dimethylamino-1,1-dioxo-5-th...) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccsc1)N(C)C Show InChI InChI=1S/C24H35NO3S2/c1-5-7-12-24(13-8-6-2)17-30(27,28)21-10-9-19(25(3)4)15-20(21)22(23(24)26)18-11-14-29-16-18/h9-11,14-16,22-23,26H,5-8,12-13,17H2,1-4H3/t22-,23-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50422905 (CHEMBL215256) Show SMILES COCCCn1c(C)nc2cc(ccc12)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H21ClN4O2S/c1-15-27-19-12-18(8-9-21(19)28(15)10-3-11-31-2)29-14-26-20-13-22(32-23(20)24(29)30)16-4-6-17(25)7-5-16/h4-9,12-14H,3,10-11H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass...				Bioorg Med Chem Lett 16: 4994-5000 (2006) Article DOI: 10.1016/j.bmcl.2006.07.054 BindingDB Entry DOI: 10.7270/Q2833T97
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50422886 (CHEMBL385410) Show SMILES CCCn1c(nc2cc(ccc12)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1)N(C)C Show InChI InChI=1S/C24H22ClN5OS/c1-4-11-29-20-10-9-17(12-18(20)27-24(29)28(2)3)30-14-26-19-13-21(32-22(19)23(30)31)15-5-7-16(25)8-6-15/h5-10,12-14H,4,11H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass...				Bioorg Med Chem Lett 16: 4994-5000 (2006) Article DOI: 10.1016/j.bmcl.2006.07.054 BindingDB Entry DOI: 10.7270/Q2833T97
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50422892 (CHEMBL214908) Show SMILES CN(C)c1ccc(cc1)-n1c(C)nc2cc(ccc12)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H22ClN5OS/c1-17-31-23-14-22(12-13-25(23)34(17)21-10-8-20(9-11-21)32(2)3)33-16-30-24-15-26(36-27(24)28(33)35)18-4-6-19(29)7-5-18/h4-16H,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass...				Bioorg Med Chem Lett 16: 4994-5000 (2006) Article DOI: 10.1016/j.bmcl.2006.07.054 BindingDB Entry DOI: 10.7270/Q2833T97
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50422900 (CHEMBL215008) Show SMILES COc1ccc(cc1)-n1c(C)nc2cc(ccc12)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H19ClN4O2S/c1-16-30-22-13-20(9-12-24(22)32(16)19-7-10-21(34-2)11-8-19)31-15-29-23-14-25(35-26(23)27(31)33)17-3-5-18(28)6-4-17/h3-15H,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass...				Bioorg Med Chem Lett 16: 4994-5000 (2006) Article DOI: 10.1016/j.bmcl.2006.07.054 BindingDB Entry DOI: 10.7270/Q2833T97
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50172655 ((4R,5S)-3,3-Dibutyl-7-dimethylamino-1,1-dioxo-5-py...) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccccn1)N(C)C Show InChI InChI=1S/C25H36N2O3S/c1-5-7-14-25(15-8-6-2)18-31(29,30)22-13-12-19(27(3)4)17-20(22)23(24(25)28)21-11-9-10-16-26-21/h9-13,16-17,23-24,28H,5-8,14-15,18H2,1-4H3/t23-,24+/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50422909 (CHEMBL384233) Show SMILES CCCn1c(nc2ccc(cc12)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1)N(C)C Show InChI InChI=1S/C24H22ClN5OS/c1-4-11-29-20-12-17(9-10-18(20)27-24(29)28(2)3)30-14-26-19-13-21(32-22(19)23(30)31)15-5-7-16(25)8-6-15/h5-10,12-14H,4,11H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass...				Bioorg Med Chem Lett 16: 4994-5000 (2006) Article DOI: 10.1016/j.bmcl.2006.07.054 BindingDB Entry DOI: 10.7270/Q2833T97
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50422911 (CHEMBL387217) Show SMILES Clc1ccc(cc1)-c1cc2ncn(-c3ccc4nc([nH]c4c3)N3CCCCC3)c(=O)c2s1 Show InChI InChI=1S/C24H20ClN5OS/c25-16-6-4-15(5-7-16)21-13-20-22(32-21)23(31)30(14-26-20)17-8-9-18-19(12-17)28-24(27-18)29-10-2-1-3-11-29/h4-9,12-14H,1-3,10-11H2,(H,27,28)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass...				Bioorg Med Chem Lett 16: 4994-5000 (2006) Article DOI: 10.1016/j.bmcl.2006.07.054 BindingDB Entry DOI: 10.7270/Q2833T97
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50422918 (CHEMBL384132) Show SMILES CN(CCN1CCCC1)c1nc2ccc(cc2[nH]1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H25ClN6OS/c1-31(12-13-32-10-2-3-11-32)26-29-20-9-8-19(14-21(20)30-26)33-16-28-22-15-23(35-24(22)25(33)34)17-4-6-18(27)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3,(H,29,30)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass...				Bioorg Med Chem Lett 16: 4994-5000 (2006) Article DOI: 10.1016/j.bmcl.2006.07.054 BindingDB Entry DOI: 10.7270/Q2833T97
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50172631 ((3S,4R,5R)-3-Butyl-7-dimethylamino-3-ethyl-1,1-dio...) Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccccc1)N(C)C Show InChI InChI=1S/C24H33NO3S/c1-5-7-15-24(6-2)17-29(27,28)21-14-13-19(25(3)4)16-20(21)22(23(24)26)18-11-9-8-10-12-18/h8-14,16,22-23,26H,5-7,15,17H2,1-4H3/t22-,23-,24-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in Baby hamster cells expressing human IBAT				J Med Chem 48: 5837-52 (2005) Article DOI: 10.1021/jm040215+ BindingDB Entry DOI: 10.7270/Q26M37MS
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50370671 (CHEMBL540128) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCOCC[N+](CC)(CC)CC)cc1)N(C)C |r| Show InChI InChI=1S/C36H59N2O5S/c1-8-13-21-36(22-14-9-2)28-44(40,41)33-20-17-30(37(6)7)27-32(33)34(35(36)39)29-15-18-31(19-16-29)43-26-25-42-24-23-38(10-3,11-4)12-5/h15-20,27,34-35,39H,8-14,21-26,28H2,1-7H3/q+1/t34-,35-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50172663 (4-[4-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-hydrox...) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCc2cc[n+](CC)cc2)cc1)N(C)C Show InChI InChI=1S/C34H47N2O4S/c1-6-9-19-34(20-10-7-2)25-41(38,39)31-16-13-28(35(4)5)23-30(31)32(33(34)37)27-11-14-29(15-12-27)40-24-26-17-21-36(8-3)22-18-26/h11-18,21-23,32-33,37H,6-10,19-20,24-25H2,1-5H3/q+1/t32-,33-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50422894 (CHEMBL215234) Show SMILES Cc1nc2cc(ccc2n1C1CCCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H23ClN4OS/c1-16-29-21-13-20(11-12-23(21)31(16)19-5-3-2-4-6-19)30-15-28-22-14-24(33-25(22)26(30)32)17-7-9-18(27)10-8-17/h7-15,19H,2-6H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass...				Bioorg Med Chem Lett 16: 4994-5000 (2006) Article DOI: 10.1016/j.bmcl.2006.07.054 BindingDB Entry DOI: 10.7270/Q2833T97
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50422888 (CHEMBL214824) Show SMILES Cn1c(nc2ccc(cc12)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1)N1CCCC1 Show InChI InChI=1S/C24H20ClN5OS/c1-28-20-12-17(8-9-18(20)27-24(28)29-10-2-3-11-29)30-14-26-19-13-21(32-22(19)23(30)31)15-4-6-16(25)7-5-15/h4-9,12-14H,2-3,10-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass...				Bioorg Med Chem Lett 16: 4994-5000 (2006) Article DOI: 10.1016/j.bmcl.2006.07.054 BindingDB Entry DOI: 10.7270/Q2833T97
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50422913 (CHEMBL384806) Show SMILES CN(C)c1nc2cc(ccc2n1C)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H18ClN5OS/c1-26(2)22-25-16-10-15(8-9-18(16)27(22)3)28-12-24-17-11-19(30-20(17)21(28)29)13-4-6-14(23)7-5-13/h4-12H,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass...				Bioorg Med Chem Lett 16: 4994-5000 (2006) Article DOI: 10.1016/j.bmcl.2006.07.054 BindingDB Entry DOI: 10.7270/Q2833T97
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50422901 (CHEMBL384988) Show SMILES Clc1ccc(cc1)-c1cc2ncn(-c3ccc4nc(NCCN5CCCC5)[nH]c4c3)c(=O)c2s1 Show InChI InChI=1S/C25H23ClN6OS/c26-17-5-3-16(4-6-17)22-14-21-23(34-22)24(33)32(15-28-21)18-7-8-19-20(13-18)30-25(29-19)27-9-12-31-10-1-2-11-31/h3-8,13-15H,1-2,9-12H2,(H2,27,29,30)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass...				Bioorg Med Chem Lett 16: 4994-5000 (2006) Article DOI: 10.1016/j.bmcl.2006.07.054 BindingDB Entry DOI: 10.7270/Q2833T97
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50422908 (CHEMBL384346) Show SMILES Cc1nc2cc(ccc2n1CCN1CCOCC1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H24ClN5O2S/c1-17-29-21-14-20(6-7-23(21)31(17)9-8-30-10-12-34-13-11-30)32-16-28-22-15-24(35-25(22)26(32)33)18-2-4-19(27)5-3-18/h2-7,14-16H,8-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene ass...				Bioorg Med Chem Lett 16: 4994-5000 (2006) Article DOI: 10.1016/j.bmcl.2006.07.054 BindingDB Entry DOI: 10.7270/Q2833T97
					More data for this Ligand-Target Pair
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM50140283 ((4R,5R)-3,3-Dibutyl-7-dimethylamino-5-(4-methoxy-p...) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OC)cc1)N(C)C Show InChI InChI=1S/C27H39NO4S/c1-6-8-16-27(17-9-7-2)19-33(30,31)24-15-12-21(28(3)4)18-23(24)25(26(27)29)20-10-13-22(32-5)14-11-20/h10-15,18,25-26,29H,6-9,16-17,19H2,1-5H3/t25-,26-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair

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