BDBM50217757 CHEMBL393350::N-benzyl-N-[4-(4-guanidino-cyclohexylmethyl)-cyclohexyl]-4-(1H-indol-3-yl)-butyramide

SMILES: NC(N)=NC1CCC(CC2CCC(CC2)N(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1

InChI Key: InChIKey=NIZOJDGLQSFHGZ-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 = 50217757   

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)	BDBM50217757 (CHEMBL393350 | N-benzyl-N-[4-(4-guanidino-cyclohex...) Show SMILES NC(N)=NC1CCC(CC2CCC(CC2)N(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(-.94,5.23,;.39,4.45,;1.73,5.21,;.38,2.91,;-.91,2.08,;-.85,.54,;-2.14,-.29,;-3.5,.42,;-4.8,-.41,;-4.72,-1.95,;-3.35,-2.65,;-3.27,-4.19,;-4.57,-5.02,;-5.94,-4.33,;-6.01,-2.78,;-4.48,-6.56,;-5.81,-7.5,;-7.22,-6.68,;-7.2,-5.05,;-8.61,-4.23,;-10.02,-5.04,;-10.02,-6.67,;-8.62,-7.49,;-3.15,-7.3,;-3.13,-8.83,;-1.83,-6.51,;-.49,-7.26,;.83,-6.47,;2.18,-7.21,;2.07,-8.75,;3.5,-9.32,;4.48,-8.14,;6.01,-8.08,;6.73,-6.73,;5.91,-5.43,;4.38,-5.49,;3.67,-6.84,;-3.59,1.95,;-2.28,2.79,)| Show InChI InChI=1S/C33H45N5O/c34-33(35)37-28-17-13-24(14-18-28)21-25-15-19-29(20-16-25)38(23-26-7-2-1-3-8-26)32(39)12-6-9-27-22-36-31-11-5-4-10-30(27)31/h1-5,7-8,10-11,22,24-25,28-29,36H,6,9,12-21,23H2,(H4,34,35,37)	KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+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 (MC5R) (Homo sapiens (Human))	BDBM50217757 (CHEMBL393350 | N-benzyl-N-[4-(4-guanidino-cyclohex...) Show SMILES NC(N)=NC1CCC(CC2CCC(CC2)N(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(-.94,5.23,;.39,4.45,;1.73,5.21,;.38,2.91,;-.91,2.08,;-.85,.54,;-2.14,-.29,;-3.5,.42,;-4.8,-.41,;-4.72,-1.95,;-3.35,-2.65,;-3.27,-4.19,;-4.57,-5.02,;-5.94,-4.33,;-6.01,-2.78,;-4.48,-6.56,;-5.81,-7.5,;-7.22,-6.68,;-7.2,-5.05,;-8.61,-4.23,;-10.02,-5.04,;-10.02,-6.67,;-8.62,-7.49,;-3.15,-7.3,;-3.13,-8.83,;-1.83,-6.51,;-.49,-7.26,;.83,-6.47,;2.18,-7.21,;2.07,-8.75,;3.5,-9.32,;4.48,-8.14,;6.01,-8.08,;6.73,-6.73,;5.91,-5.43,;4.38,-5.49,;3.67,-6.84,;-3.59,1.95,;-2.28,2.79,)| Show InChI InChI=1S/C33H45N5O/c34-33(35)37-28-17-13-24(14-18-28)21-25-15-19-29(20-16-25)38(23-26-7-2-1-3-8-26)32(39)12-6-9-27-22-36-31-11-5-4-10-30(27)31/h1-5,7-8,10-11,22,24-25,28-29,36H,6,9,12-21,23H2,(H4,34,35,37)	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60E+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))	BDBM50217757 (CHEMBL393350 | N-benzyl-N-[4-(4-guanidino-cyclohex...) Show SMILES NC(N)=NC1CCC(CC2CCC(CC2)N(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(-.94,5.23,;.39,4.45,;1.73,5.21,;.38,2.91,;-.91,2.08,;-.85,.54,;-2.14,-.29,;-3.5,.42,;-4.8,-.41,;-4.72,-1.95,;-3.35,-2.65,;-3.27,-4.19,;-4.57,-5.02,;-5.94,-4.33,;-6.01,-2.78,;-4.48,-6.56,;-5.81,-7.5,;-7.22,-6.68,;-7.2,-5.05,;-8.61,-4.23,;-10.02,-5.04,;-10.02,-6.67,;-8.62,-7.49,;-3.15,-7.3,;-3.13,-8.83,;-1.83,-6.51,;-.49,-7.26,;.83,-6.47,;2.18,-7.21,;2.07,-8.75,;3.5,-9.32,;4.48,-8.14,;6.01,-8.08,;6.73,-6.73,;5.91,-5.43,;4.38,-5.49,;3.67,-6.84,;-3.59,1.95,;-2.28,2.79,)| Show InChI InChI=1S/C33H45N5O/c34-33(35)37-28-17-13-24(14-18-28)21-25-15-19-29(20-16-25)38(23-26-7-2-1-3-8-26)32(39)12-6-9-27-22-36-31-11-5-4-10-30(27)31/h1-5,7-8,10-11,22,24-25,28-29,36H,6,9,12-21,23H2,(H4,34,35,37)	PDB KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40E+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 3 (Homo sapiens (Human))	BDBM50217757 (CHEMBL393350 | N-benzyl-N-[4-(4-guanidino-cyclohex...) Show SMILES NC(N)=NC1CCC(CC2CCC(CC2)N(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(-.94,5.23,;.39,4.45,;1.73,5.21,;.38,2.91,;-.91,2.08,;-.85,.54,;-2.14,-.29,;-3.5,.42,;-4.8,-.41,;-4.72,-1.95,;-3.35,-2.65,;-3.27,-4.19,;-4.57,-5.02,;-5.94,-4.33,;-6.01,-2.78,;-4.48,-6.56,;-5.81,-7.5,;-7.22,-6.68,;-7.2,-5.05,;-8.61,-4.23,;-10.02,-5.04,;-10.02,-6.67,;-8.62,-7.49,;-3.15,-7.3,;-3.13,-8.83,;-1.83,-6.51,;-.49,-7.26,;.83,-6.47,;2.18,-7.21,;2.07,-8.75,;3.5,-9.32,;4.48,-8.14,;6.01,-8.08,;6.73,-6.73,;5.91,-5.43,;4.38,-5.49,;3.67,-6.84,;-3.59,1.95,;-2.28,2.79,)| Show InChI InChI=1S/C33H45N5O/c34-33(35)37-28-17-13-24(14-18-28)21-25-15-19-29(20-16-25)38(23-26-7-2-1-3-8-26)32(39)12-6-9-27-22-36-31-11-5-4-10-30(27)31/h1-5,7-8,10-11,22,24-25,28-29,36H,6,9,12-21,23H2,(H4,34,35,37)	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+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