Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 546.1 BDBM50217729

Wt: 546.1 BDBM50217674

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

Found 10 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
Melanocyte-stimulating hormone receptor (Mus musculus)	BDBM50217674 ((Z)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)-N-...) Show SMILES NC1CCC(CC2CCC(CC2)N(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(20.39,5.04,;19.05,4.28,;19.03,2.74,;17.7,1.99,;16.37,2.77,;15.03,2.01,;15.03,.47,;16.37,-.32,;16.37,-1.87,;15.02,-2.64,;13.67,-1.87,;13.68,-.31,;15.02,-4.19,;13.69,-4.96,;12.35,-4.19,;12.35,-2.65,;11.02,-4.96,;9.69,-4.19,;9.69,-2.66,;8.36,-1.89,;7.03,-2.66,;7.03,-4.2,;8.36,-4.97,;16.36,-4.97,;16.36,-6.53,;17.7,-4.19,;19.04,-4.96,;20.37,-4.19,;21.71,-4.96,;22.29,-3.53,;23.82,-3.63,;24.2,-5.13,;25.54,-5.86,;25.59,-7.39,;24.29,-8.2,;22.93,-7.47,;22.89,-5.94,;16.37,4.3,;17.72,5.06,)| Show InChI InChI=1S/C34H44ClN3O/c35-29(22-25-7-2-1-3-8-25)24-38(31-19-15-27(16-20-31)21-26-13-17-30(36)18-14-26)34(39)12-6-9-28-23-37-33-11-5-4-10-32(28)33/h1-5,7-8,10-11,22-23,26-27,30-31,37H,6,9,12-21,24,36H2/b29-22-	KEGG UniProtKB/SwissProt 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 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
Melanocyte-stimulating hormone receptor (Mus musculus)	BDBM50217729 (CHEMBL237920 | N-((1R,4r)-4-(((1r,4R)-4-aminocyclo...) Show SMILES N[C@H]1CC[C@H](C[C@H]2CC[C@@H](CC2)N(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |wU:6.5,4.4,wD:9.12,1.0,(13.39,-.93,;12.07,-1.7,;10.74,-.95,;9.41,-1.73,;9.43,-3.25,;8.11,-4.03,;8.13,-5.56,;9.48,-6.32,;9.5,-7.87,;8.16,-8.65,;6.81,-7.91,;6.8,-6.35,;8.19,-10.2,;6.84,-11.16,;5.33,-10.47,;5.32,-8.8,;3.98,-11.43,;2.51,-10.66,;2.45,-9.01,;.98,-8.24,;-.43,-9.13,;-.34,-10.79,;1.12,-11.55,;9.54,-10.96,;9.56,-12.51,;10.86,-10.17,;12.19,-10.9,;13.52,-10.13,;14.84,-10.89,;16.25,-10.22,;17.31,-11.34,;16.55,-12.68,;17.04,-14.12,;16.04,-15.27,;14.53,-14.97,;14.04,-13.53,;15.05,-12.38,;10.76,-4.01,;12.08,-3.24,)| Show InChI InChI=1S/C34H44ClN3O/c35-29(22-25-7-2-1-3-8-25)24-38(31-19-15-27(16-20-31)21-26-13-17-30(36)18-14-26)34(39)12-6-9-28-23-37-33-11-5-4-10-32(28)33/h1-5,7-8,10-11,22-23,26-27,30-31,37H,6,9,12-21,24,36H2/b29-22-/t26-,27-,30-,31-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10E+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 5 (Homo sapiens (Human))	BDBM50217674 ((Z)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)-N-...) Show SMILES NC1CCC(CC2CCC(CC2)N(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(20.39,5.04,;19.05,4.28,;19.03,2.74,;17.7,1.99,;16.37,2.77,;15.03,2.01,;15.03,.47,;16.37,-.32,;16.37,-1.87,;15.02,-2.64,;13.67,-1.87,;13.68,-.31,;15.02,-4.19,;13.69,-4.96,;12.35,-4.19,;12.35,-2.65,;11.02,-4.96,;9.69,-4.19,;9.69,-2.66,;8.36,-1.89,;7.03,-2.66,;7.03,-4.2,;8.36,-4.97,;16.36,-4.97,;16.36,-6.53,;17.7,-4.19,;19.04,-4.96,;20.37,-4.19,;21.71,-4.96,;22.29,-3.53,;23.82,-3.63,;24.2,-5.13,;25.54,-5.86,;25.59,-7.39,;24.29,-8.2,;22.93,-7.47,;22.89,-5.94,;16.37,4.3,;17.72,5.06,)| Show InChI InChI=1S/C34H44ClN3O/c35-29(22-25-7-2-1-3-8-25)24-38(31-19-15-27(16-20-31)21-26-13-17-30(36)18-14-26)34(39)12-6-9-28-23-37-33-11-5-4-10-32(28)33/h1-5,7-8,10-11,22-23,26-27,30-31,37H,6,9,12-21,24,36H2/b29-22-	PDB UniProtKB/SwissProt antibodypedia 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 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 (Homo sapiens (Human))	BDBM50217674 ((Z)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)-N-...) Show SMILES NC1CCC(CC2CCC(CC2)N(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(20.39,5.04,;19.05,4.28,;19.03,2.74,;17.7,1.99,;16.37,2.77,;15.03,2.01,;15.03,.47,;16.37,-.32,;16.37,-1.87,;15.02,-2.64,;13.67,-1.87,;13.68,-.31,;15.02,-4.19,;13.69,-4.96,;12.35,-4.19,;12.35,-2.65,;11.02,-4.96,;9.69,-4.19,;9.69,-2.66,;8.36,-1.89,;7.03,-2.66,;7.03,-4.2,;8.36,-4.97,;16.36,-4.97,;16.36,-6.53,;17.7,-4.19,;19.04,-4.96,;20.37,-4.19,;21.71,-4.96,;22.29,-3.53,;23.82,-3.63,;24.2,-5.13,;25.54,-5.86,;25.59,-7.39,;24.29,-8.2,;22.93,-7.47,;22.89,-5.94,;16.37,4.3,;17.72,5.06,)| Show InChI InChI=1S/C34H44ClN3O/c35-29(22-25-7-2-1-3-8-25)24-38(31-19-15-27(16-20-31)21-26-13-17-30(36)18-14-26)34(39)12-6-9-28-23-37-33-11-5-4-10-32(28)33/h1-5,7-8,10-11,22-23,26-27,30-31,37H,6,9,12-21,24,36H2/b29-22-	PDB UniProtKB/SwissProt antibodypedia 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 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 4 (Homo sapiens (Human))	BDBM50217674 ((Z)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)-N-...) Show SMILES NC1CCC(CC2CCC(CC2)N(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(20.39,5.04,;19.05,4.28,;19.03,2.74,;17.7,1.99,;16.37,2.77,;15.03,2.01,;15.03,.47,;16.37,-.32,;16.37,-1.87,;15.02,-2.64,;13.67,-1.87,;13.68,-.31,;15.02,-4.19,;13.69,-4.96,;12.35,-4.19,;12.35,-2.65,;11.02,-4.96,;9.69,-4.19,;9.69,-2.66,;8.36,-1.89,;7.03,-2.66,;7.03,-4.2,;8.36,-4.97,;16.36,-4.97,;16.36,-6.53,;17.7,-4.19,;19.04,-4.96,;20.37,-4.19,;21.71,-4.96,;22.29,-3.53,;23.82,-3.63,;24.2,-5.13,;25.54,-5.86,;25.59,-7.39,;24.29,-8.2,;22.93,-7.47,;22.89,-5.94,;16.37,4.3,;17.72,5.06,)| Show InChI InChI=1S/C34H44ClN3O/c35-29(22-25-7-2-1-3-8-25)24-38(31-19-15-27(16-20-31)21-26-13-17-30(36)18-14-26)34(39)12-6-9-28-23-37-33-11-5-4-10-32(28)33/h1-5,7-8,10-11,22-23,26-27,30-31,37H,6,9,12-21,24,36H2/b29-22-	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.00E+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 4 (Homo sapiens (Human))	BDBM50217674 ((Z)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)-N-...) Show SMILES NC1CCC(CC2CCC(CC2)N(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(20.39,5.04,;19.05,4.28,;19.03,2.74,;17.7,1.99,;16.37,2.77,;15.03,2.01,;15.03,.47,;16.37,-.32,;16.37,-1.87,;15.02,-2.64,;13.67,-1.87,;13.68,-.31,;15.02,-4.19,;13.69,-4.96,;12.35,-4.19,;12.35,-2.65,;11.02,-4.96,;9.69,-4.19,;9.69,-2.66,;8.36,-1.89,;7.03,-2.66,;7.03,-4.2,;8.36,-4.97,;16.36,-4.97,;16.36,-6.53,;17.7,-4.19,;19.04,-4.96,;20.37,-4.19,;21.71,-4.96,;22.29,-3.53,;23.82,-3.63,;24.2,-5.13,;25.54,-5.86,;25.59,-7.39,;24.29,-8.2,;22.93,-7.47,;22.89,-5.94,;16.37,4.3,;17.72,5.06,)| Show InChI InChI=1S/C34H44ClN3O/c35-29(22-25-7-2-1-3-8-25)24-38(31-19-15-27(16-20-31)21-26-13-17-30(36)18-14-26)34(39)12-6-9-28-23-37-33-11-5-4-10-32(28)33/h1-5,7-8,10-11,22-23,26-27,30-31,37H,6,9,12-21,24,36H2/b29-22-	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.00E+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 4 (Homo sapiens (Human))	BDBM50217729 (CHEMBL237920 | N-((1R,4r)-4-(((1r,4R)-4-aminocyclo...) Show SMILES N[C@H]1CC[C@H](C[C@H]2CC[C@@H](CC2)N(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |wU:6.5,4.4,wD:9.12,1.0,(13.39,-.93,;12.07,-1.7,;10.74,-.95,;9.41,-1.73,;9.43,-3.25,;8.11,-4.03,;8.13,-5.56,;9.48,-6.32,;9.5,-7.87,;8.16,-8.65,;6.81,-7.91,;6.8,-6.35,;8.19,-10.2,;6.84,-11.16,;5.33,-10.47,;5.32,-8.8,;3.98,-11.43,;2.51,-10.66,;2.45,-9.01,;.98,-8.24,;-.43,-9.13,;-.34,-10.79,;1.12,-11.55,;9.54,-10.96,;9.56,-12.51,;10.86,-10.17,;12.19,-10.9,;13.52,-10.13,;14.84,-10.89,;16.25,-10.22,;17.31,-11.34,;16.55,-12.68,;17.04,-14.12,;16.04,-15.27,;14.53,-14.97,;14.04,-13.53,;15.05,-12.38,;10.76,-4.01,;12.08,-3.24,)| Show InChI InChI=1S/C34H44ClN3O/c35-29(22-25-7-2-1-3-8-25)24-38(31-19-15-27(16-20-31)21-26-13-17-30(36)18-14-26)34(39)12-6-9-28-23-37-33-11-5-4-10-32(28)33/h1-5,7-8,10-11,22-23,26-27,30-31,37H,6,9,12-21,24,36H2/b29-22-/t26-,27-,30-,31-	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80E+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
Melanocortin receptor 5 (Homo sapiens (Human))	BDBM50217729 (CHEMBL237920 | N-((1R,4r)-4-(((1r,4R)-4-aminocyclo...) Show SMILES N[C@H]1CC[C@H](C[C@H]2CC[C@@H](CC2)N(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |wU:6.5,4.4,wD:9.12,1.0,(13.39,-.93,;12.07,-1.7,;10.74,-.95,;9.41,-1.73,;9.43,-3.25,;8.11,-4.03,;8.13,-5.56,;9.48,-6.32,;9.5,-7.87,;8.16,-8.65,;6.81,-7.91,;6.8,-6.35,;8.19,-10.2,;6.84,-11.16,;5.33,-10.47,;5.32,-8.8,;3.98,-11.43,;2.51,-10.66,;2.45,-9.01,;.98,-8.24,;-.43,-9.13,;-.34,-10.79,;1.12,-11.55,;9.54,-10.96,;9.56,-12.51,;10.86,-10.17,;12.19,-10.9,;13.52,-10.13,;14.84,-10.89,;16.25,-10.22,;17.31,-11.34,;16.55,-12.68,;17.04,-14.12,;16.04,-15.27,;14.53,-14.97,;14.04,-13.53,;15.05,-12.38,;10.76,-4.01,;12.08,-3.24,)| Show InChI InChI=1S/C34H44ClN3O/c35-29(22-25-7-2-1-3-8-25)24-38(31-19-15-27(16-20-31)21-26-13-17-30(36)18-14-26)34(39)12-6-9-28-23-37-33-11-5-4-10-32(28)33/h1-5,7-8,10-11,22-23,26-27,30-31,37H,6,9,12-21,24,36H2/b29-22-/t26-,27-,30-,31-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.40E+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 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))	BDBM50217674 ((Z)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)-N-...) Show SMILES NC1CCC(CC2CCC(CC2)N(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(20.39,5.04,;19.05,4.28,;19.03,2.74,;17.7,1.99,;16.37,2.77,;15.03,2.01,;15.03,.47,;16.37,-.32,;16.37,-1.87,;15.02,-2.64,;13.67,-1.87,;13.68,-.31,;15.02,-4.19,;13.69,-4.96,;12.35,-4.19,;12.35,-2.65,;11.02,-4.96,;9.69,-4.19,;9.69,-2.66,;8.36,-1.89,;7.03,-2.66,;7.03,-4.2,;8.36,-4.97,;16.36,-4.97,;16.36,-6.53,;17.7,-4.19,;19.04,-4.96,;20.37,-4.19,;21.71,-4.96,;22.29,-3.53,;23.82,-3.63,;24.2,-5.13,;25.54,-5.86,;25.59,-7.39,;24.29,-8.2,;22.93,-7.47,;22.89,-5.94,;16.37,4.3,;17.72,5.06,)| Show InChI InChI=1S/C34H44ClN3O/c35-29(22-25-7-2-1-3-8-25)24-38(31-19-15-27(16-20-31)21-26-13-17-30(36)18-14-26)34(39)12-6-9-28-23-37-33-11-5-4-10-32(28)33/h1-5,7-8,10-11,22-23,26-27,30-31,37H,6,9,12-21,24,36H2/b29-22-	PDB 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 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 3 (Homo sapiens (Human))	BDBM50217729 (CHEMBL237920 | N-((1R,4r)-4-(((1r,4R)-4-aminocyclo...) Show SMILES N[C@H]1CC[C@H](C[C@H]2CC[C@@H](CC2)N(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |wU:6.5,4.4,wD:9.12,1.0,(13.39,-.93,;12.07,-1.7,;10.74,-.95,;9.41,-1.73,;9.43,-3.25,;8.11,-4.03,;8.13,-5.56,;9.48,-6.32,;9.5,-7.87,;8.16,-8.65,;6.81,-7.91,;6.8,-6.35,;8.19,-10.2,;6.84,-11.16,;5.33,-10.47,;5.32,-8.8,;3.98,-11.43,;2.51,-10.66,;2.45,-9.01,;.98,-8.24,;-.43,-9.13,;-.34,-10.79,;1.12,-11.55,;9.54,-10.96,;9.56,-12.51,;10.86,-10.17,;12.19,-10.9,;13.52,-10.13,;14.84,-10.89,;16.25,-10.22,;17.31,-11.34,;16.55,-12.68,;17.04,-14.12,;16.04,-15.27,;14.53,-14.97,;14.04,-13.53,;15.05,-12.38,;10.76,-4.01,;12.08,-3.24,)| Show InChI InChI=1S/C34H44ClN3O/c35-29(22-25-7-2-1-3-8-25)24-38(31-19-15-27(16-20-31)21-26-13-17-30(36)18-14-26)34(39)12-6-9-28-23-37-33-11-5-4-10-32(28)33/h1-5,7-8,10-11,22-23,26-27,30-31,37H,6,9,12-21,24,36H2/b29-22-/t26-,27-,30-,31-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+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