BDBM50217644 CHEMBL397550::N-(2-chloro-4,5-dimethoxybenzyl)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)-4-(1H-indol-3-yl)butanamide

SMILES: COc1cc(Cl)c(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1OC

InChI Key: InChIKey=CAGGFSBFLDCAIQ-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50217644   

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)	BDBM50217644 (CHEMBL397550 | N-(2-chloro-4,5-dimethoxybenzyl)-N-...) Show SMILES COc1cc(Cl)c(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1OC |(20.46,-54,;20.49,-55.54,;21.83,-56.29,;21.86,-57.84,;23.2,-58.58,;23.23,-60.12,;24.52,-57.79,;25.87,-58.54,;27.19,-57.75,;27.16,-56.19,;28.5,-55.4,;28.48,-53.85,;27.13,-53.09,;27.11,-51.55,;28.44,-50.76,;29.78,-51.53,;31.1,-50.75,;31.09,-49.21,;32.42,-48.42,;29.75,-48.45,;28.42,-49.23,;25.79,-53.88,;25.8,-55.44,;28.54,-58.51,;28.57,-60.06,;29.87,-57.71,;31.21,-58.44,;32.55,-57.67,;33.9,-58.4,;35.3,-57.76,;36.34,-58.89,;35.59,-60.24,;36.08,-61.68,;35.08,-62.84,;33.56,-62.54,;33.07,-61.09,;34.08,-59.93,;24.5,-56.25,;23.16,-55.5,;23.14,-53.96,;24.46,-53.17,)| Show InChI InChI=1S/C34H46ClN3O3/c1-40-32-19-26(30(35)20-33(32)41-2)22-38(28-16-12-24(13-17-28)18-23-10-14-27(36)15-11-23)34(39)9-5-6-25-21-37-31-8-4-3-7-29(25)31/h3-4,7-8,19-21,23-24,27-28,37H,5-6,9-18,22,36H2,1-2H3	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+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))	BDBM50217644 (CHEMBL397550 | N-(2-chloro-4,5-dimethoxybenzyl)-N-...) Show SMILES COc1cc(Cl)c(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1OC |(20.46,-54,;20.49,-55.54,;21.83,-56.29,;21.86,-57.84,;23.2,-58.58,;23.23,-60.12,;24.52,-57.79,;25.87,-58.54,;27.19,-57.75,;27.16,-56.19,;28.5,-55.4,;28.48,-53.85,;27.13,-53.09,;27.11,-51.55,;28.44,-50.76,;29.78,-51.53,;31.1,-50.75,;31.09,-49.21,;32.42,-48.42,;29.75,-48.45,;28.42,-49.23,;25.79,-53.88,;25.8,-55.44,;28.54,-58.51,;28.57,-60.06,;29.87,-57.71,;31.21,-58.44,;32.55,-57.67,;33.9,-58.4,;35.3,-57.76,;36.34,-58.89,;35.59,-60.24,;36.08,-61.68,;35.08,-62.84,;33.56,-62.54,;33.07,-61.09,;34.08,-59.93,;24.5,-56.25,;23.16,-55.5,;23.14,-53.96,;24.46,-53.17,)| Show InChI InChI=1S/C34H46ClN3O3/c1-40-32-19-26(30(35)20-33(32)41-2)22-38(28-16-12-24(13-17-28)18-23-10-14-27(36)15-11-23)34(39)9-5-6-25-21-37-31-8-4-3-7-29(25)31/h3-4,7-8,19-21,23-24,27-28,37H,5-6,9-18,22,36H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+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 4 (Homo sapiens (Human))	BDBM50217644 (CHEMBL397550 | N-(2-chloro-4,5-dimethoxybenzyl)-N-...) Show SMILES COc1cc(Cl)c(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1OC |(20.46,-54,;20.49,-55.54,;21.83,-56.29,;21.86,-57.84,;23.2,-58.58,;23.23,-60.12,;24.52,-57.79,;25.87,-58.54,;27.19,-57.75,;27.16,-56.19,;28.5,-55.4,;28.48,-53.85,;27.13,-53.09,;27.11,-51.55,;28.44,-50.76,;29.78,-51.53,;31.1,-50.75,;31.09,-49.21,;32.42,-48.42,;29.75,-48.45,;28.42,-49.23,;25.79,-53.88,;25.8,-55.44,;28.54,-58.51,;28.57,-60.06,;29.87,-57.71,;31.21,-58.44,;32.55,-57.67,;33.9,-58.4,;35.3,-57.76,;36.34,-58.89,;35.59,-60.24,;36.08,-61.68,;35.08,-62.84,;33.56,-62.54,;33.07,-61.09,;34.08,-59.93,;24.5,-56.25,;23.16,-55.5,;23.14,-53.96,;24.46,-53.17,)| Show InChI InChI=1S/C34H46ClN3O3/c1-40-32-19-26(30(35)20-33(32)41-2)22-38(28-16-12-24(13-17-28)18-23-10-14-27(36)15-11-23)34(39)9-5-6-25-21-37-31-8-4-3-7-29(25)31/h3-4,7-8,19-21,23-24,27-28,37H,5-6,9-18,22,36H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+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))	BDBM50217644 (CHEMBL397550 | N-(2-chloro-4,5-dimethoxybenzyl)-N-...) Show SMILES COc1cc(Cl)c(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1OC |(20.46,-54,;20.49,-55.54,;21.83,-56.29,;21.86,-57.84,;23.2,-58.58,;23.23,-60.12,;24.52,-57.79,;25.87,-58.54,;27.19,-57.75,;27.16,-56.19,;28.5,-55.4,;28.48,-53.85,;27.13,-53.09,;27.11,-51.55,;28.44,-50.76,;29.78,-51.53,;31.1,-50.75,;31.09,-49.21,;32.42,-48.42,;29.75,-48.45,;28.42,-49.23,;25.79,-53.88,;25.8,-55.44,;28.54,-58.51,;28.57,-60.06,;29.87,-57.71,;31.21,-58.44,;32.55,-57.67,;33.9,-58.4,;35.3,-57.76,;36.34,-58.89,;35.59,-60.24,;36.08,-61.68,;35.08,-62.84,;33.56,-62.54,;33.07,-61.09,;34.08,-59.93,;24.5,-56.25,;23.16,-55.5,;23.14,-53.96,;24.46,-53.17,)| Show InChI InChI=1S/C34H46ClN3O3/c1-40-32-19-26(30(35)20-33(32)41-2)22-38(28-16-12-24(13-17-28)18-23-10-14-27(36)15-11-23)34(39)9-5-6-25-21-37-31-8-4-3-7-29(25)31/h3-4,7-8,19-21,23-24,27-28,37H,5-6,9-18,22,36H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.90E+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 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 5 (MC5R) (Homo sapiens (Human))	BDBM50217644 (CHEMBL397550 | N-(2-chloro-4,5-dimethoxybenzyl)-N-...) Show SMILES COc1cc(Cl)c(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1OC |(20.46,-54,;20.49,-55.54,;21.83,-56.29,;21.86,-57.84,;23.2,-58.58,;23.23,-60.12,;24.52,-57.79,;25.87,-58.54,;27.19,-57.75,;27.16,-56.19,;28.5,-55.4,;28.48,-53.85,;27.13,-53.09,;27.11,-51.55,;28.44,-50.76,;29.78,-51.53,;31.1,-50.75,;31.09,-49.21,;32.42,-48.42,;29.75,-48.45,;28.42,-49.23,;25.79,-53.88,;25.8,-55.44,;28.54,-58.51,;28.57,-60.06,;29.87,-57.71,;31.21,-58.44,;32.55,-57.67,;33.9,-58.4,;35.3,-57.76,;36.34,-58.89,;35.59,-60.24,;36.08,-61.68,;35.08,-62.84,;33.56,-62.54,;33.07,-61.09,;34.08,-59.93,;24.5,-56.25,;23.16,-55.5,;23.14,-53.96,;24.46,-53.17,)| Show InChI InChI=1S/C34H46ClN3O3/c1-40-32-19-26(30(35)20-33(32)41-2)22-38(28-16-12-24(13-17-28)18-23-10-14-27(36)15-11-23)34(39)9-5-6-25-21-37-31-8-4-3-7-29(25)31/h3-4,7-8,19-21,23-24,27-28,37H,5-6,9-18,22,36H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.90E+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 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))	BDBM50217644 (CHEMBL397550 | N-(2-chloro-4,5-dimethoxybenzyl)-N-...) Show SMILES COc1cc(Cl)c(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1OC |(20.46,-54,;20.49,-55.54,;21.83,-56.29,;21.86,-57.84,;23.2,-58.58,;23.23,-60.12,;24.52,-57.79,;25.87,-58.54,;27.19,-57.75,;27.16,-56.19,;28.5,-55.4,;28.48,-53.85,;27.13,-53.09,;27.11,-51.55,;28.44,-50.76,;29.78,-51.53,;31.1,-50.75,;31.09,-49.21,;32.42,-48.42,;29.75,-48.45,;28.42,-49.23,;25.79,-53.88,;25.8,-55.44,;28.54,-58.51,;28.57,-60.06,;29.87,-57.71,;31.21,-58.44,;32.55,-57.67,;33.9,-58.4,;35.3,-57.76,;36.34,-58.89,;35.59,-60.24,;36.08,-61.68,;35.08,-62.84,;33.56,-62.54,;33.07,-61.09,;34.08,-59.93,;24.5,-56.25,;23.16,-55.5,;23.14,-53.96,;24.46,-53.17,)| Show InChI InChI=1S/C34H46ClN3O3/c1-40-32-19-26(30(35)20-33(32)41-2)22-38(28-16-12-24(13-17-28)18-23-10-14-27(36)15-11-23)34(39)9-5-6-25-21-37-31-8-4-3-7-29(25)31/h3-4,7-8,19-21,23-24,27-28,37H,5-6,9-18,22,36H2,1-2H3	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