BDBM50217748 CHEMBL413982::N-(2-chloro-6-fluorobenzyl)-4-(2-(4-hydroxybenzyl)-1H-indol-3-yl)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)butanamide

SMILES: NC1CCC(CC2CCC(CC2)N(Cc2c(F)cccc2Cl)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1

InChI Key: InChIKey=ZQPNUHLMKKJBQM-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 = 50217748   

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)	BDBM50217748 (CHEMBL413982 | N-(2-chloro-6-fluorobenzyl)-4-(2-(4...) Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2c(F)cccc2Cl)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1 |(-.47,-12.98,;-1.8,-13.76,;-1.79,-15.3,;-3.11,-16.08,;-4.46,-15.31,;-5.78,-16.1,;-5.76,-17.64,;-4.41,-18.4,;-4.39,-19.95,;-5.73,-20.74,;-7.09,-19.99,;-7.1,-18.43,;-5.7,-22.3,;-7.44,-23.11,;-7.47,-25.29,;-8.81,-26.05,;-10.14,-25.28,;-8.81,-27.59,;-7.47,-28.37,;-6.14,-27.59,;-6.14,-26.05,;-5.25,-24.71,;-4.35,-23.06,;-4.32,-24.62,;-3.02,-22.26,;-1.68,-23,;-.34,-22.23,;.98,-22.99,;2.39,-22.32,;3.15,-20.98,;4.69,-20.96,;5.47,-22.29,;7.01,-22.28,;7.77,-20.94,;9.31,-20.93,;6.98,-19.61,;5.44,-19.63,;3.44,-23.44,;2.7,-24.79,;3.19,-26.23,;2.18,-27.39,;.67,-27.09,;.18,-25.64,;1.19,-24.49,;-4.47,-13.78,;-3.14,-13,)| Show InChI InChI=1S/C39H47ClFN3O2/c40-35-7-4-8-36(41)34(35)25-44(30-19-13-27(14-20-30)23-26-11-17-29(42)18-12-26)39(46)10-3-6-33-32-5-1-2-9-37(32)43-38(33)24-28-15-21-31(45)22-16-28/h1-2,4-5,7-9,15-16,21-22,26-27,29-30,43,45H,3,6,10-14,17-20,23-25,42H2	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+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))	BDBM50217748 (CHEMBL413982 | N-(2-chloro-6-fluorobenzyl)-4-(2-(4...) Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2c(F)cccc2Cl)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1 |(-.47,-12.98,;-1.8,-13.76,;-1.79,-15.3,;-3.11,-16.08,;-4.46,-15.31,;-5.78,-16.1,;-5.76,-17.64,;-4.41,-18.4,;-4.39,-19.95,;-5.73,-20.74,;-7.09,-19.99,;-7.1,-18.43,;-5.7,-22.3,;-7.44,-23.11,;-7.47,-25.29,;-8.81,-26.05,;-10.14,-25.28,;-8.81,-27.59,;-7.47,-28.37,;-6.14,-27.59,;-6.14,-26.05,;-5.25,-24.71,;-4.35,-23.06,;-4.32,-24.62,;-3.02,-22.26,;-1.68,-23,;-.34,-22.23,;.98,-22.99,;2.39,-22.32,;3.15,-20.98,;4.69,-20.96,;5.47,-22.29,;7.01,-22.28,;7.77,-20.94,;9.31,-20.93,;6.98,-19.61,;5.44,-19.63,;3.44,-23.44,;2.7,-24.79,;3.19,-26.23,;2.18,-27.39,;.67,-27.09,;.18,-25.64,;1.19,-24.49,;-4.47,-13.78,;-3.14,-13,)| Show InChI InChI=1S/C39H47ClFN3O2/c40-35-7-4-8-36(41)34(35)25-44(30-19-13-27(14-20-30)23-26-11-17-29(42)18-12-26)39(46)10-3-6-33-32-5-1-2-9-37(32)43-38(33)24-28-15-21-31(45)22-16-28/h1-2,4-5,7-9,15-16,21-22,26-27,29-30,43,45H,3,6,10-14,17-20,23-25,42H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+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))	BDBM50217748 (CHEMBL413982 | N-(2-chloro-6-fluorobenzyl)-4-(2-(4...) Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2c(F)cccc2Cl)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1 |(-.47,-12.98,;-1.8,-13.76,;-1.79,-15.3,;-3.11,-16.08,;-4.46,-15.31,;-5.78,-16.1,;-5.76,-17.64,;-4.41,-18.4,;-4.39,-19.95,;-5.73,-20.74,;-7.09,-19.99,;-7.1,-18.43,;-5.7,-22.3,;-7.44,-23.11,;-7.47,-25.29,;-8.81,-26.05,;-10.14,-25.28,;-8.81,-27.59,;-7.47,-28.37,;-6.14,-27.59,;-6.14,-26.05,;-5.25,-24.71,;-4.35,-23.06,;-4.32,-24.62,;-3.02,-22.26,;-1.68,-23,;-.34,-22.23,;.98,-22.99,;2.39,-22.32,;3.15,-20.98,;4.69,-20.96,;5.47,-22.29,;7.01,-22.28,;7.77,-20.94,;9.31,-20.93,;6.98,-19.61,;5.44,-19.63,;3.44,-23.44,;2.7,-24.79,;3.19,-26.23,;2.18,-27.39,;.67,-27.09,;.18,-25.64,;1.19,-24.49,;-4.47,-13.78,;-3.14,-13,)| Show InChI InChI=1S/C39H47ClFN3O2/c40-35-7-4-8-36(41)34(35)25-44(30-19-13-27(14-20-30)23-26-11-17-29(42)18-12-26)39(46)10-3-6-33-32-5-1-2-9-37(32)43-38(33)24-28-15-21-31(45)22-16-28/h1-2,4-5,7-9,15-16,21-22,26-27,29-30,43,45H,3,6,10-14,17-20,23-25,42H2	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))	BDBM50217748 (CHEMBL413982 | N-(2-chloro-6-fluorobenzyl)-4-(2-(4...) Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2c(F)cccc2Cl)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1 |(-.47,-12.98,;-1.8,-13.76,;-1.79,-15.3,;-3.11,-16.08,;-4.46,-15.31,;-5.78,-16.1,;-5.76,-17.64,;-4.41,-18.4,;-4.39,-19.95,;-5.73,-20.74,;-7.09,-19.99,;-7.1,-18.43,;-5.7,-22.3,;-7.44,-23.11,;-7.47,-25.29,;-8.81,-26.05,;-10.14,-25.28,;-8.81,-27.59,;-7.47,-28.37,;-6.14,-27.59,;-6.14,-26.05,;-5.25,-24.71,;-4.35,-23.06,;-4.32,-24.62,;-3.02,-22.26,;-1.68,-23,;-.34,-22.23,;.98,-22.99,;2.39,-22.32,;3.15,-20.98,;4.69,-20.96,;5.47,-22.29,;7.01,-22.28,;7.77,-20.94,;9.31,-20.93,;6.98,-19.61,;5.44,-19.63,;3.44,-23.44,;2.7,-24.79,;3.19,-26.23,;2.18,-27.39,;.67,-27.09,;.18,-25.64,;1.19,-24.49,;-4.47,-13.78,;-3.14,-13,)| Show InChI InChI=1S/C39H47ClFN3O2/c40-35-7-4-8-36(41)34(35)25-44(30-19-13-27(14-20-30)23-26-11-17-29(42)18-12-26)39(46)10-3-6-33-32-5-1-2-9-37(32)43-38(33)24-28-15-21-31(45)22-16-28/h1-2,4-5,7-9,15-16,21-22,26-27,29-30,43,45H,3,6,10-14,17-20,23-25,42H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+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 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