BDBM50217638 CHEMBL391944::N-{4-[(4-aminocyclohexyl)methyl]cyclohexyl}-4-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]butanamide

SMILES: Cc1ccccc1CN(C1CCC(CC2CCC(N)CC2)CC1)C(=O)CCCc1c[nH]c2ccccc12

InChI Key: InChIKey=IDOPPNYMQVVOJO-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50217638   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Melanocortin receptor 1 (Mus musculus)	BDBM50217638 (CHEMBL391944 | N-{4-[(4-aminocyclohexyl)methyl]cyc...) Show SMILES Cc1ccccc1CN(C1CCC(CC2CCC(N)CC2)CC1)C(=O)CCCc1c[nH]c2ccccc12 |(31.04,-6.55,;31.01,-5.01,;29.67,-4.27,;29.64,-2.72,;30.97,-1.93,;32.32,-2.69,;32.33,-4.23,;33.68,-4.98,;35,-4.19,;34.97,-2.63,;36.31,-1.84,;36.29,-.29,;34.94,.47,;34.92,2.01,;36.24,2.8,;37.58,2.03,;38.91,2.81,;38.9,4.35,;40.22,5.13,;37.56,5.11,;36.23,4.33,;33.6,-.32,;33.61,-1.88,;36.35,-4.95,;36.38,-6.5,;37.68,-4.15,;39.02,-4.89,;40.35,-4.12,;41.68,-4.88,;43.09,-4.21,;44.14,-5.33,;43.39,-6.68,;43.88,-8.12,;42.88,-9.28,;41.37,-8.98,;40.88,-7.53,;41.89,-6.37,)| Show InChI InChI=1S/C33H45N3O/c1-24-7-2-3-8-28(24)23-36(30-19-15-26(16-20-30)21-25-13-17-29(34)18-14-25)33(37)12-6-9-27-22-35-32-11-5-4-10-31(27)32/h2-5,7-8,10-11,22,25-26,29-30,35H,6,9,12-21,23,34H2,1H3	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells				Bioorg Med Chem 15: 5787-810 (2007) Article DOI: 10.1016/j.bmc.2007.06.003 BindingDB Entry DOI: 10.7270/Q2X066Q5
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50217638 (CHEMBL391944 | N-{4-[(4-aminocyclohexyl)methyl]cyc...) Show SMILES Cc1ccccc1CN(C1CCC(CC2CCC(N)CC2)CC1)C(=O)CCCc1c[nH]c2ccccc12 |(31.04,-6.55,;31.01,-5.01,;29.67,-4.27,;29.64,-2.72,;30.97,-1.93,;32.32,-2.69,;32.33,-4.23,;33.68,-4.98,;35,-4.19,;34.97,-2.63,;36.31,-1.84,;36.29,-.29,;34.94,.47,;34.92,2.01,;36.24,2.8,;37.58,2.03,;38.91,2.81,;38.9,4.35,;40.22,5.13,;37.56,5.11,;36.23,4.33,;33.6,-.32,;33.61,-1.88,;36.35,-4.95,;36.38,-6.5,;37.68,-4.15,;39.02,-4.89,;40.35,-4.12,;41.68,-4.88,;43.09,-4.21,;44.14,-5.33,;43.39,-6.68,;43.88,-8.12,;42.88,-9.28,;41.37,-8.98,;40.88,-7.53,;41.89,-6.37,)| Show InChI InChI=1S/C33H45N3O/c1-24-7-2-3-8-28(24)23-36(30-19-15-26(16-20-30)21-25-13-17-29(34)18-14-25)33(37)12-6-9-27-22-35-32-11-5-4-10-31(27)32/h2-5,7-8,10-11,22,25-26,29-30,35H,6,9,12-21,23,34H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from human recombinant MC4 receptor expressed in Sf9 cells				Bioorg Med Chem 15: 5787-810 (2007) Article DOI: 10.1016/j.bmc.2007.06.003 BindingDB Entry DOI: 10.7270/Q2X066Q5
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (MC5R) (Homo sapiens (Human))	BDBM50217638 (CHEMBL391944 | N-{4-[(4-aminocyclohexyl)methyl]cyc...) Show SMILES Cc1ccccc1CN(C1CCC(CC2CCC(N)CC2)CC1)C(=O)CCCc1c[nH]c2ccccc12 |(31.04,-6.55,;31.01,-5.01,;29.67,-4.27,;29.64,-2.72,;30.97,-1.93,;32.32,-2.69,;32.33,-4.23,;33.68,-4.98,;35,-4.19,;34.97,-2.63,;36.31,-1.84,;36.29,-.29,;34.94,.47,;34.92,2.01,;36.24,2.8,;37.58,2.03,;38.91,2.81,;38.9,4.35,;40.22,5.13,;37.56,5.11,;36.23,4.33,;33.6,-.32,;33.61,-1.88,;36.35,-4.95,;36.38,-6.5,;37.68,-4.15,;39.02,-4.89,;40.35,-4.12,;41.68,-4.88,;43.09,-4.21,;44.14,-5.33,;43.39,-6.68,;43.88,-8.12,;42.88,-9.28,;41.37,-8.98,;40.88,-7.53,;41.89,-6.37,)| Show InChI InChI=1S/C33H45N3O/c1-24-7-2-3-8-28(24)23-36(30-19-15-26(16-20-30)21-25-13-17-29(34)18-14-25)33(37)12-6-9-27-22-35-32-11-5-4-10-31(27)32/h2-5,7-8,10-11,22,25-26,29-30,35H,6,9,12-21,23,34H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from human recombinant MC5 receptor expressed in Sf9 cells				Bioorg Med Chem 15: 5787-810 (2007) Article DOI: 10.1016/j.bmc.2007.06.003 BindingDB Entry DOI: 10.7270/Q2X066Q5
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50217638 (CHEMBL391944 | N-{4-[(4-aminocyclohexyl)methyl]cyc...) Show SMILES Cc1ccccc1CN(C1CCC(CC2CCC(N)CC2)CC1)C(=O)CCCc1c[nH]c2ccccc12 |(31.04,-6.55,;31.01,-5.01,;29.67,-4.27,;29.64,-2.72,;30.97,-1.93,;32.32,-2.69,;32.33,-4.23,;33.68,-4.98,;35,-4.19,;34.97,-2.63,;36.31,-1.84,;36.29,-.29,;34.94,.47,;34.92,2.01,;36.24,2.8,;37.58,2.03,;38.91,2.81,;38.9,4.35,;40.22,5.13,;37.56,5.11,;36.23,4.33,;33.6,-.32,;33.61,-1.88,;36.35,-4.95,;36.38,-6.5,;37.68,-4.15,;39.02,-4.89,;40.35,-4.12,;41.68,-4.88,;43.09,-4.21,;44.14,-5.33,;43.39,-6.68,;43.88,-8.12,;42.88,-9.28,;41.37,-8.98,;40.88,-7.53,;41.89,-6.37,)| Show InChI InChI=1S/C33H45N3O/c1-24-7-2-3-8-28(24)23-36(30-19-15-26(16-20-30)21-25-13-17-29(34)18-14-25)33(37)12-6-9-27-22-35-32-11-5-4-10-31(27)32/h2-5,7-8,10-11,22,25-26,29-30,35H,6,9,12-21,23,34H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.21E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from human recombinant MC3 receptor expressed in Sf9 cells				Bioorg Med Chem 15: 5787-810 (2007) Article DOI: 10.1016/j.bmc.2007.06.003 BindingDB Entry DOI: 10.7270/Q2X066Q5
					More data for this Ligand-Target Pair