Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 520.1 BDBM50217713

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50217713 (CHEMBL235140 | N-(2-chlorobenzyl)-N-(4-((4-aminocy...) Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2ccccc2Cl)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(36.17,-32.76,;34.84,-33.54,;34.85,-35.08,;33.53,-35.86,;32.19,-35.09,;30.87,-35.88,;30.88,-37.42,;32.24,-38.18,;32.26,-39.73,;30.92,-40.52,;29.56,-39.77,;29.55,-38.21,;30.94,-42.08,;29.62,-42.87,;28.27,-42.12,;28.25,-40.58,;26.91,-39.83,;25.59,-40.62,;25.61,-42.17,;26.96,-42.91,;26.98,-44.45,;32.3,-42.84,;32.32,-44.39,;33.63,-42.04,;34.96,-42.77,;36.3,-42,;37.62,-42.77,;39.04,-42.1,;40.09,-43.22,;39.34,-44.57,;39.83,-46.01,;38.83,-47.17,;37.31,-46.87,;36.82,-45.42,;37.83,-44.26,;32.17,-33.56,;33.5,-32.78,)| Show InChI InChI=1S/C32H42ClN3O/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	2.80E+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 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
Melanocyte-stimulating hormone receptor (Mus musculus)	BDBM50217713 (CHEMBL235140 | N-(2-chlorobenzyl)-N-(4-((4-aminocy...) Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2ccccc2Cl)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(36.17,-32.76,;34.84,-33.54,;34.85,-35.08,;33.53,-35.86,;32.19,-35.09,;30.87,-35.88,;30.88,-37.42,;32.24,-38.18,;32.26,-39.73,;30.92,-40.52,;29.56,-39.77,;29.55,-38.21,;30.94,-42.08,;29.62,-42.87,;28.27,-42.12,;28.25,-40.58,;26.91,-39.83,;25.59,-40.62,;25.61,-42.17,;26.96,-42.91,;26.98,-44.45,;32.3,-42.84,;32.32,-44.39,;33.63,-42.04,;34.96,-42.77,;36.3,-42,;37.62,-42.77,;39.04,-42.1,;40.09,-43.22,;39.34,-44.57,;39.83,-46.01,;38.83,-47.17,;37.31,-46.87,;36.82,-45.42,;37.83,-44.26,;32.17,-33.56,;33.5,-32.78,)| Show InChI InChI=1S/C32H42ClN3O/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 GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20E+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 5 (Homo sapiens (Human))	BDBM50217713 (CHEMBL235140 | N-(2-chlorobenzyl)-N-(4-((4-aminocy...) Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2ccccc2Cl)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(36.17,-32.76,;34.84,-33.54,;34.85,-35.08,;33.53,-35.86,;32.19,-35.09,;30.87,-35.88,;30.88,-37.42,;32.24,-38.18,;32.26,-39.73,;30.92,-40.52,;29.56,-39.77,;29.55,-38.21,;30.94,-42.08,;29.62,-42.87,;28.27,-42.12,;28.25,-40.58,;26.91,-39.83,;25.59,-40.62,;25.61,-42.17,;26.96,-42.91,;26.98,-44.45,;32.3,-42.84,;32.32,-44.39,;33.63,-42.04,;34.96,-42.77,;36.3,-42,;37.62,-42.77,;39.04,-42.1,;40.09,-43.22,;39.34,-44.57,;39.83,-46.01,;38.83,-47.17,;37.31,-46.87,;36.82,-45.42,;37.83,-44.26,;32.17,-33.56,;33.5,-32.78,)| Show InChI InChI=1S/C32H42ClN3O/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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20E+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))	BDBM50217713 (CHEMBL235140 | N-(2-chlorobenzyl)-N-(4-((4-aminocy...) Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2ccccc2Cl)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(36.17,-32.76,;34.84,-33.54,;34.85,-35.08,;33.53,-35.86,;32.19,-35.09,;30.87,-35.88,;30.88,-37.42,;32.24,-38.18,;32.26,-39.73,;30.92,-40.52,;29.56,-39.77,;29.55,-38.21,;30.94,-42.08,;29.62,-42.87,;28.27,-42.12,;28.25,-40.58,;26.91,-39.83,;25.59,-40.62,;25.61,-42.17,;26.96,-42.91,;26.98,-44.45,;32.3,-42.84,;32.32,-44.39,;33.63,-42.04,;34.96,-42.77,;36.3,-42,;37.62,-42.77,;39.04,-42.1,;40.09,-43.22,;39.34,-44.57,;39.83,-46.01,;38.83,-47.17,;37.31,-46.87,;36.82,-45.42,;37.83,-44.26,;32.17,-33.56,;33.5,-32.78,)| Show InChI InChI=1S/C32H42ClN3O/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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20E+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