BDBM50217653 CHEMBL235359::N-(2,6-difluorobenzyl)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)-4-(1H-indol-3-yl)butanamide

SMILES: NC1CCC(CC2CCC(CC2)N(Cc2c(F)cccc2F)C(=O)CCCc2c[nH]c3ccccc23)CC1

InChI Key: InChIKey=MDPRWHYKNIZZPB-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 = 50217653   

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)	BDBM50217653 (CHEMBL235359 | N-(2,6-difluorobenzyl)-N-(4-((4-ami...) Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2c(F)cccc2F)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(39.45,-34.23,;38.12,-35,;38.13,-36.55,;36.81,-37.33,;35.47,-36.56,;34.14,-37.34,;34.16,-38.88,;35.51,-39.65,;35.54,-41.2,;34.19,-41.99,;32.83,-41.24,;32.82,-39.68,;34.22,-43.54,;32.86,-44.51,;32.89,-47.27,;31.57,-48.06,;30.22,-47.31,;31.59,-49.6,;32.95,-50.35,;34.26,-49.55,;34.23,-48.02,;35.55,-47.23,;35.57,-44.3,;35.6,-45.86,;36.9,-43.51,;38.24,-44.24,;39.58,-43.47,;40.9,-44.23,;42.31,-43.56,;43.37,-44.69,;42.62,-46.03,;43.11,-47.48,;42.11,-48.64,;40.59,-48.34,;40.1,-46.89,;41.11,-45.73,;35.45,-35.03,;36.78,-34.25,)| Show InChI InChI=1S/C32H41F2N3O/c33-29-7-4-8-30(34)28(29)21-37(26-17-13-23(14-18-26)19-22-11-15-25(35)16-12-22)32(38)10-3-5-24-20-36-31-9-2-1-6-27(24)31/h1-2,4,6-9,20,22-23,25-26,36H,3,5,10-19,21,35H2	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+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))	BDBM50217653 (CHEMBL235359 | N-(2,6-difluorobenzyl)-N-(4-((4-ami...) Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2c(F)cccc2F)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(39.45,-34.23,;38.12,-35,;38.13,-36.55,;36.81,-37.33,;35.47,-36.56,;34.14,-37.34,;34.16,-38.88,;35.51,-39.65,;35.54,-41.2,;34.19,-41.99,;32.83,-41.24,;32.82,-39.68,;34.22,-43.54,;32.86,-44.51,;32.89,-47.27,;31.57,-48.06,;30.22,-47.31,;31.59,-49.6,;32.95,-50.35,;34.26,-49.55,;34.23,-48.02,;35.55,-47.23,;35.57,-44.3,;35.6,-45.86,;36.9,-43.51,;38.24,-44.24,;39.58,-43.47,;40.9,-44.23,;42.31,-43.56,;43.37,-44.69,;42.62,-46.03,;43.11,-47.48,;42.11,-48.64,;40.59,-48.34,;40.1,-46.89,;41.11,-45.73,;35.45,-35.03,;36.78,-34.25,)| Show InChI InChI=1S/C32H41F2N3O/c33-29-7-4-8-30(34)28(29)21-37(26-17-13-23(14-18-26)19-22-11-15-25(35)16-12-22)32(38)10-3-5-24-20-36-31-9-2-1-6-27(24)31/h1-2,4,6-9,20,22-23,25-26,36H,3,5,10-19,21,35H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+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 3 (Homo sapiens (Human))	BDBM50217653 (CHEMBL235359 | N-(2,6-difluorobenzyl)-N-(4-((4-ami...) Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2c(F)cccc2F)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(39.45,-34.23,;38.12,-35,;38.13,-36.55,;36.81,-37.33,;35.47,-36.56,;34.14,-37.34,;34.16,-38.88,;35.51,-39.65,;35.54,-41.2,;34.19,-41.99,;32.83,-41.24,;32.82,-39.68,;34.22,-43.54,;32.86,-44.51,;32.89,-47.27,;31.57,-48.06,;30.22,-47.31,;31.59,-49.6,;32.95,-50.35,;34.26,-49.55,;34.23,-48.02,;35.55,-47.23,;35.57,-44.3,;35.6,-45.86,;36.9,-43.51,;38.24,-44.24,;39.58,-43.47,;40.9,-44.23,;42.31,-43.56,;43.37,-44.69,;42.62,-46.03,;43.11,-47.48,;42.11,-48.64,;40.59,-48.34,;40.1,-46.89,;41.11,-45.73,;35.45,-35.03,;36.78,-34.25,)| Show InChI InChI=1S/C32H41F2N3O/c33-29-7-4-8-30(34)28(29)21-37(26-17-13-23(14-18-26)19-22-11-15-25(35)16-12-22)32(38)10-3-5-24-20-36-31-9-2-1-6-27(24)31/h1-2,4,6-9,20,22-23,25-26,36H,3,5,10-19,21,35H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20E+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
Melanocortin receptor 5 (MC5R) (Homo sapiens (Human))	BDBM50217653 (CHEMBL235359 | N-(2,6-difluorobenzyl)-N-(4-((4-ami...) Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2c(F)cccc2F)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(39.45,-34.23,;38.12,-35,;38.13,-36.55,;36.81,-37.33,;35.47,-36.56,;34.14,-37.34,;34.16,-38.88,;35.51,-39.65,;35.54,-41.2,;34.19,-41.99,;32.83,-41.24,;32.82,-39.68,;34.22,-43.54,;32.86,-44.51,;32.89,-47.27,;31.57,-48.06,;30.22,-47.31,;31.59,-49.6,;32.95,-50.35,;34.26,-49.55,;34.23,-48.02,;35.55,-47.23,;35.57,-44.3,;35.6,-45.86,;36.9,-43.51,;38.24,-44.24,;39.58,-43.47,;40.9,-44.23,;42.31,-43.56,;43.37,-44.69,;42.62,-46.03,;43.11,-47.48,;42.11,-48.64,;40.59,-48.34,;40.1,-46.89,;41.11,-45.73,;35.45,-35.03,;36.78,-34.25,)| Show InChI InChI=1S/C32H41F2N3O/c33-29-7-4-8-30(34)28(29)21-37(26-17-13-23(14-18-26)19-22-11-15-25(35)16-12-22)32(38)10-3-5-24-20-36-31-9-2-1-6-27(24)31/h1-2,4,6-9,20,22-23,25-26,36H,3,5,10-19,21,35H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.30E+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 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