BDBM50217786 CHEMBL237070::N-(2-fluorobenzyl)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)-4-(1H-indol-3-yl)butanamide

SMILES: NC1CCC(CC2CCC(CC2)N(Cc2ccccc2F)C(=O)CCCc2c[nH]c3ccccc23)CC1

InChI Key: InChIKey=AMKOEUKZHYTCTR-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 = 50217786   

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)	BDBM50217786 (CHEMBL237070 | N-(2-fluorobenzyl)-N-(4-((4-aminocy...) Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2ccccc2F)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(1.33,-26.36,;-.01,-27.12,;-.02,-28.66,;-1.35,-29.42,;-2.68,-28.63,;-4.02,-29.4,;-4.03,-30.94,;-2.68,-31.72,;-2.69,-33.27,;-4.04,-34.05,;-5.38,-33.27,;-5.38,-31.71,;-4.04,-35.6,;-5.37,-36.37,;-6.7,-35.6,;-6.7,-34.06,;-8.03,-33.29,;-9.36,-34.06,;-9.36,-35.61,;-8.03,-36.37,;-8.02,-37.91,;-2.69,-36.38,;-2.69,-37.93,;-1.35,-35.6,;-.02,-36.37,;1.32,-35.59,;2.65,-36.36,;3.23,-34.94,;4.77,-35.04,;5.14,-36.54,;6.49,-37.26,;6.54,-38.79,;5.23,-39.61,;3.88,-38.88,;3.83,-37.35,;-2.68,-27.1,;-1.34,-26.34,)| Show InChI InChI=1S/C32H42FN3O/c33-30-9-3-1-6-26(30)22-36(28-18-14-24(15-19-28)20-23-12-16-27(34)17-13-23)32(37)11-5-7-25-21-35-31-10-4-2-8-29(25)31/h1-4,6,8-10,21,23-24,27-28,35H,5,7,11-20,22,34H2	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+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))	BDBM50217786 (CHEMBL237070 | N-(2-fluorobenzyl)-N-(4-((4-aminocy...) Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2ccccc2F)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(1.33,-26.36,;-.01,-27.12,;-.02,-28.66,;-1.35,-29.42,;-2.68,-28.63,;-4.02,-29.4,;-4.03,-30.94,;-2.68,-31.72,;-2.69,-33.27,;-4.04,-34.05,;-5.38,-33.27,;-5.38,-31.71,;-4.04,-35.6,;-5.37,-36.37,;-6.7,-35.6,;-6.7,-34.06,;-8.03,-33.29,;-9.36,-34.06,;-9.36,-35.61,;-8.03,-36.37,;-8.02,-37.91,;-2.69,-36.38,;-2.69,-37.93,;-1.35,-35.6,;-.02,-36.37,;1.32,-35.59,;2.65,-36.36,;3.23,-34.94,;4.77,-35.04,;5.14,-36.54,;6.49,-37.26,;6.54,-38.79,;5.23,-39.61,;3.88,-38.88,;3.83,-37.35,;-2.68,-27.1,;-1.34,-26.34,)| Show InChI InChI=1S/C32H42FN3O/c33-30-9-3-1-6-26(30)22-36(28-18-14-24(15-19-28)20-23-12-16-27(34)17-13-23)32(37)11-5-7-25-21-35-31-10-4-2-8-29(25)31/h1-4,6,8-10,21,23-24,27-28,35H,5,7,11-20,22,34H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70E+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))	BDBM50217786 (CHEMBL237070 | N-(2-fluorobenzyl)-N-(4-((4-aminocy...) Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2ccccc2F)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(1.33,-26.36,;-.01,-27.12,;-.02,-28.66,;-1.35,-29.42,;-2.68,-28.63,;-4.02,-29.4,;-4.03,-30.94,;-2.68,-31.72,;-2.69,-33.27,;-4.04,-34.05,;-5.38,-33.27,;-5.38,-31.71,;-4.04,-35.6,;-5.37,-36.37,;-6.7,-35.6,;-6.7,-34.06,;-8.03,-33.29,;-9.36,-34.06,;-9.36,-35.61,;-8.03,-36.37,;-8.02,-37.91,;-2.69,-36.38,;-2.69,-37.93,;-1.35,-35.6,;-.02,-36.37,;1.32,-35.59,;2.65,-36.36,;3.23,-34.94,;4.77,-35.04,;5.14,-36.54,;6.49,-37.26,;6.54,-38.79,;5.23,-39.61,;3.88,-38.88,;3.83,-37.35,;-2.68,-27.1,;-1.34,-26.34,)| Show InChI InChI=1S/C32H42FN3O/c33-30-9-3-1-6-26(30)22-36(28-18-14-24(15-19-28)20-23-12-16-27(34)17-13-23)32(37)11-5-7-25-21-35-31-10-4-2-8-29(25)31/h1-4,6,8-10,21,23-24,27-28,35H,5,7,11-20,22,34H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20E+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 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))	BDBM50217786 (CHEMBL237070 | N-(2-fluorobenzyl)-N-(4-((4-aminocy...) Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2ccccc2F)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(1.33,-26.36,;-.01,-27.12,;-.02,-28.66,;-1.35,-29.42,;-2.68,-28.63,;-4.02,-29.4,;-4.03,-30.94,;-2.68,-31.72,;-2.69,-33.27,;-4.04,-34.05,;-5.38,-33.27,;-5.38,-31.71,;-4.04,-35.6,;-5.37,-36.37,;-6.7,-35.6,;-6.7,-34.06,;-8.03,-33.29,;-9.36,-34.06,;-9.36,-35.61,;-8.03,-36.37,;-8.02,-37.91,;-2.69,-36.38,;-2.69,-37.93,;-1.35,-35.6,;-.02,-36.37,;1.32,-35.59,;2.65,-36.36,;3.23,-34.94,;4.77,-35.04,;5.14,-36.54,;6.49,-37.26,;6.54,-38.79,;5.23,-39.61,;3.88,-38.88,;3.83,-37.35,;-2.68,-27.1,;-1.34,-26.34,)| Show InChI InChI=1S/C32H42FN3O/c33-30-9-3-1-6-26(30)22-36(28-18-14-24(15-19-28)20-23-12-16-27(34)17-13-23)32(37)11-5-7-25-21-35-31-10-4-2-8-29(25)31/h1-4,6,8-10,21,23-24,27-28,35H,5,7,11-20,22,34H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+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