BDBM50217705 CHEMBL237689::N-(4-cyanobenzyl)-4-(2-(4-hydroxybenzyl)-1H-indol-3-yl)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)butanamide

SMILES: NC1CCC(CC2CCC(CC2)N(Cc2ccc(cc2)C#N)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1

InChI Key: InChIKey=ZGUGVYGIVPYDMM-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 = 50217705   

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)	BDBM50217705 (CHEMBL237689 | N-(4-cyanobenzyl)-4-(2-(4-hydroxybe...) Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2ccc(cc2)C#N)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1 |(42.09,-14.04,;40.77,-14.81,;40.78,-16.35,;39.45,-17.14,;38.11,-16.37,;36.79,-17.15,;36.81,-18.69,;38.16,-19.46,;38.18,-21.01,;36.84,-21.8,;35.48,-21.05,;35.47,-19.49,;36.87,-23.35,;35.55,-24.14,;34.2,-23.4,;34.27,-21.86,;32.97,-21.04,;31.6,-21.75,;31.55,-23.3,;32.85,-24.11,;30.3,-20.93,;29,-20.11,;38.22,-24.11,;38.25,-25.67,;39.55,-23.32,;40.89,-24.05,;42.22,-23.28,;43.54,-24.04,;44.96,-23.37,;45.72,-22.03,;47.26,-22.02,;48.04,-23.35,;49.57,-23.34,;50.34,-22,;51.88,-21.98,;49.55,-20.66,;48.01,-20.68,;46.01,-24.5,;45.26,-25.84,;45.75,-27.29,;44.75,-28.45,;43.23,-28.14,;42.75,-26.69,;43.76,-25.54,;38.1,-14.84,;39.42,-14.06,)| Show InChI InChI=1S/C40H48N4O2/c41-26-31-8-10-32(11-9-31)27-44(34-20-14-29(15-21-34)24-28-12-18-33(42)19-13-28)40(46)7-3-5-37-36-4-1-2-6-38(36)43-39(37)25-30-16-22-35(45)23-17-30/h1-2,4,6,8-11,16-17,22-23,28-29,33-34,43,45H,3,5,7,12-15,18-21,24-25,27,42H2	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+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))	BDBM50217705 (CHEMBL237689 | N-(4-cyanobenzyl)-4-(2-(4-hydroxybe...) Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2ccc(cc2)C#N)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1 |(42.09,-14.04,;40.77,-14.81,;40.78,-16.35,;39.45,-17.14,;38.11,-16.37,;36.79,-17.15,;36.81,-18.69,;38.16,-19.46,;38.18,-21.01,;36.84,-21.8,;35.48,-21.05,;35.47,-19.49,;36.87,-23.35,;35.55,-24.14,;34.2,-23.4,;34.27,-21.86,;32.97,-21.04,;31.6,-21.75,;31.55,-23.3,;32.85,-24.11,;30.3,-20.93,;29,-20.11,;38.22,-24.11,;38.25,-25.67,;39.55,-23.32,;40.89,-24.05,;42.22,-23.28,;43.54,-24.04,;44.96,-23.37,;45.72,-22.03,;47.26,-22.02,;48.04,-23.35,;49.57,-23.34,;50.34,-22,;51.88,-21.98,;49.55,-20.66,;48.01,-20.68,;46.01,-24.5,;45.26,-25.84,;45.75,-27.29,;44.75,-28.45,;43.23,-28.14,;42.75,-26.69,;43.76,-25.54,;38.1,-14.84,;39.42,-14.06,)| Show InChI InChI=1S/C40H48N4O2/c41-26-31-8-10-32(11-9-31)27-44(34-20-14-29(15-21-34)24-28-12-18-33(42)19-13-28)40(46)7-3-5-37-36-4-1-2-6-38(36)43-39(37)25-30-16-22-35(45)23-17-30/h1-2,4,6,8-11,16-17,22-23,28-29,33-34,43,45H,3,5,7,12-15,18-21,24-25,27,42H2	PDB KEGG UniProtKB/SwissProt antibodypedia 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 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))	BDBM50217705 (CHEMBL237689 | N-(4-cyanobenzyl)-4-(2-(4-hydroxybe...) Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2ccc(cc2)C#N)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1 |(42.09,-14.04,;40.77,-14.81,;40.78,-16.35,;39.45,-17.14,;38.11,-16.37,;36.79,-17.15,;36.81,-18.69,;38.16,-19.46,;38.18,-21.01,;36.84,-21.8,;35.48,-21.05,;35.47,-19.49,;36.87,-23.35,;35.55,-24.14,;34.2,-23.4,;34.27,-21.86,;32.97,-21.04,;31.6,-21.75,;31.55,-23.3,;32.85,-24.11,;30.3,-20.93,;29,-20.11,;38.22,-24.11,;38.25,-25.67,;39.55,-23.32,;40.89,-24.05,;42.22,-23.28,;43.54,-24.04,;44.96,-23.37,;45.72,-22.03,;47.26,-22.02,;48.04,-23.35,;49.57,-23.34,;50.34,-22,;51.88,-21.98,;49.55,-20.66,;48.01,-20.68,;46.01,-24.5,;45.26,-25.84,;45.75,-27.29,;44.75,-28.45,;43.23,-28.14,;42.75,-26.69,;43.76,-25.54,;38.1,-14.84,;39.42,-14.06,)| Show InChI InChI=1S/C40H48N4O2/c41-26-31-8-10-32(11-9-31)27-44(34-20-14-29(15-21-34)24-28-12-18-33(42)19-13-28)40(46)7-3-5-37-36-4-1-2-6-38(36)43-39(37)25-30-16-22-35(45)23-17-30/h1-2,4,6,8-11,16-17,22-23,28-29,33-34,43,45H,3,5,7,12-15,18-21,24-25,27,42H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+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))	BDBM50217705 (CHEMBL237689 | N-(4-cyanobenzyl)-4-(2-(4-hydroxybe...) Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2ccc(cc2)C#N)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1 |(42.09,-14.04,;40.77,-14.81,;40.78,-16.35,;39.45,-17.14,;38.11,-16.37,;36.79,-17.15,;36.81,-18.69,;38.16,-19.46,;38.18,-21.01,;36.84,-21.8,;35.48,-21.05,;35.47,-19.49,;36.87,-23.35,;35.55,-24.14,;34.2,-23.4,;34.27,-21.86,;32.97,-21.04,;31.6,-21.75,;31.55,-23.3,;32.85,-24.11,;30.3,-20.93,;29,-20.11,;38.22,-24.11,;38.25,-25.67,;39.55,-23.32,;40.89,-24.05,;42.22,-23.28,;43.54,-24.04,;44.96,-23.37,;45.72,-22.03,;47.26,-22.02,;48.04,-23.35,;49.57,-23.34,;50.34,-22,;51.88,-21.98,;49.55,-20.66,;48.01,-20.68,;46.01,-24.5,;45.26,-25.84,;45.75,-27.29,;44.75,-28.45,;43.23,-28.14,;42.75,-26.69,;43.76,-25.54,;38.1,-14.84,;39.42,-14.06,)| Show InChI InChI=1S/C40H48N4O2/c41-26-31-8-10-32(11-9-31)27-44(34-20-14-29(15-21-34)24-28-12-18-33(42)19-13-28)40(46)7-3-5-37-36-4-1-2-6-38(36)43-39(37)25-30-16-22-35(45)23-17-30/h1-2,4,6,8-11,16-17,22-23,28-29,33-34,43,45H,3,5,7,12-15,18-21,24-25,27,42H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+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 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