BDBM50217637 (E)-N-(4-aminobutyl)-2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)-N-(2-methyl-3-phenylallyl)acetamide::CHEMBL236840

SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N(CCCCN)C\C(C)=C\c3ccccc3)c2c1

InChI Key InChIKey=BXQPDOCYIGQSTK-FCDQGJHFSA-N

Data  4 KI

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50217637   

TargetMelanocyte-stimulating hormone receptor(Mus musculus)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50217637((E)-N-(4-aminobutyl)-2-(1-(4-chlorobenzoyl)-5-meth...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N(CCCCN)C\C(C)=C\c3ccccc3)c2c1
Show InChI InChI=1S/C33H36ClN3O3/c1-23(19-25-9-5-4-6-10-25)22-36(18-8-7-17-35)32(38)21-29-24(2)37(31-16-15-28(40-3)20-30(29)31)33(39)26-11-13-27(34)14-12-26/h4-6,9-16,19-20H,7-8,17-18,21-22,35H2,1-3H3/b23-19+
Affinity DataKi:  1.80E+3nMAssay Description:Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 4(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50217637((E)-N-(4-aminobutyl)-2-(1-(4-chlorobenzoyl)-5-meth...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N(CCCCN)C\C(C)=C\c3ccccc3)c2c1
Show InChI InChI=1S/C33H36ClN3O3/c1-23(19-25-9-5-4-6-10-25)22-36(18-8-7-17-35)32(38)21-29-24(2)37(31-16-15-28(40-3)20-30(29)31)33(39)26-11-13-27(34)14-12-26/h4-6,9-16,19-20H,7-8,17-18,21-22,35H2,1-3H3/b23-19+
Affinity DataKi:  7.10E+3nMAssay Description:Displacement of [125I]NDP-MSH from human recombinant MC4 receptor expressed in Sf9 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 3(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50217637((E)-N-(4-aminobutyl)-2-(1-(4-chlorobenzoyl)-5-meth...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N(CCCCN)C\C(C)=C\c3ccccc3)c2c1
Show InChI InChI=1S/C33H36ClN3O3/c1-23(19-25-9-5-4-6-10-25)22-36(18-8-7-17-35)32(38)21-29-24(2)37(31-16-15-28(40-3)20-30(29)31)33(39)26-11-13-27(34)14-12-26/h4-6,9-16,19-20H,7-8,17-18,21-22,35H2,1-3H3/b23-19+
Affinity DataKi:  3.00E+4nMAssay Description:Displacement of [125I]NDP-MSH from human recombinant MC3 receptor expressed in Sf9 cellsMore data for this Ligand-Target Pair
TargetMelanocortin receptor 5(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50217637((E)-N-(4-aminobutyl)-2-(1-(4-chlorobenzoyl)-5-meth...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N(CCCCN)C\C(C)=C\c3ccccc3)c2c1
Show InChI InChI=1S/C33H36ClN3O3/c1-23(19-25-9-5-4-6-10-25)22-36(18-8-7-17-35)32(38)21-29-24(2)37(31-16-15-28(40-3)20-30(29)31)33(39)26-11-13-27(34)14-12-26/h4-6,9-16,19-20H,7-8,17-18,21-22,35H2,1-3H3/b23-19+
Affinity DataKi:  5.60E+4nMAssay Description:Displacement of [125I]NDP-MSH from human recombinant MC5 receptor expressed in Sf9 cellsMore data for this Ligand-Target Pair