BDBM50217731 CHEMBL396111::N-(2-chloro-4,5-dimethoxybenzyl)-4-(2-(4-hydroxybenzyl)-1H-indol-3-yl)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)butanamide

SMILES COc1cc(Cl)c(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1OC

InChI Key InChIKey=BIPSMDWSUSSJDS-UHFFFAOYSA-N

Data  4 KI

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50217731   

TargetMelanocyte-stimulating hormone receptor(Mus musculus)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50217731(CHEMBL396111 | N-(2-chloro-4,5-dimethoxybenzyl)-4-...)
Show SMILES COc1cc(Cl)c(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1OC
Show InChI InChI=1S/C41H52ClN3O4/c1-48-39-24-30(36(42)25-40(39)49-2)26-45(32-18-12-28(13-19-32)22-27-10-16-31(43)17-11-27)41(47)9-5-7-35-34-6-3-4-8-37(34)44-38(35)23-29-14-20-33(46)21-15-29/h3-4,6,8,14-15,20-21,24-25,27-28,31-32,44,46H,5,7,9-13,16-19,22-23,26,43H2,1-2H3
Affinity DataKi:  630nMAssay 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
LigandPNGBDBM50217731(CHEMBL396111 | N-(2-chloro-4,5-dimethoxybenzyl)-4-...)
Show SMILES COc1cc(Cl)c(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1OC
Show InChI InChI=1S/C41H52ClN3O4/c1-48-39-24-30(36(42)25-40(39)49-2)26-45(32-18-12-28(13-19-32)22-27-10-16-31(43)17-11-27)41(47)9-5-7-35-34-6-3-4-8-37(34)44-38(35)23-29-14-20-33(46)21-15-29/h3-4,6,8,14-15,20-21,24-25,27-28,31-32,44,46H,5,7,9-13,16-19,22-23,26,43H2,1-2H3
Affinity DataKi:  1.90E+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
LigandPNGBDBM50217731(CHEMBL396111 | N-(2-chloro-4,5-dimethoxybenzyl)-4-...)
Show SMILES COc1cc(Cl)c(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1OC
Show InChI InChI=1S/C41H52ClN3O4/c1-48-39-24-30(36(42)25-40(39)49-2)26-45(32-18-12-28(13-19-32)22-27-10-16-31(43)17-11-27)41(47)9-5-7-35-34-6-3-4-8-37(34)44-38(35)23-29-14-20-33(46)21-15-29/h3-4,6,8,14-15,20-21,24-25,27-28,31-32,44,46H,5,7,9-13,16-19,22-23,26,43H2,1-2H3
Affinity DataKi:  8.30E+3nMAssay 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
LigandPNGBDBM50217731(CHEMBL396111 | N-(2-chloro-4,5-dimethoxybenzyl)-4-...)
Show SMILES COc1cc(Cl)c(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1OC
Show InChI InChI=1S/C41H52ClN3O4/c1-48-39-24-30(36(42)25-40(39)49-2)26-45(32-18-12-28(13-19-32)22-27-10-16-31(43)17-11-27)41(47)9-5-7-35-34-6-3-4-8-37(34)44-38(35)23-29-14-20-33(46)21-15-29/h3-4,6,8,14-15,20-21,24-25,27-28,31-32,44,46H,5,7,9-13,16-19,22-23,26,43H2,1-2H3
Affinity DataKi:  1.10E+4nMAssay Description:Displacement of [125I]NDP-MSH from human recombinant MC5 receptor expressed in Sf9 cellsMore data for this Ligand-Target Pair