BDBM50217655 CHEMBL238149::N-(3-guanidino-propyl)-4-(1H-indol-3-yl)-N-naphthalen-2-ylmethyl-butyramide

SMILES: NC(N)=NCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12

InChI Key: InChIKey=PVTQDPKZDIWQRL-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 = 50217655   

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)	BDBM50217655 (CHEMBL238149 | N-(3-guanidino-propyl)-4-(1H-indol-...) Show SMILES NC(N)=NCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 |(12.1,-27.56,;13.64,-27.56,;14.41,-26.24,;14.41,-28.9,;13.11,-29.73,;13.19,-31.27,;14.56,-31.97,;14.64,-33.51,;13.31,-34.45,;11.91,-33.63,;10.51,-34.44,;9.1,-33.62,;9.11,-31.99,;7.71,-31.18,;7.71,-29.56,;9.13,-28.75,;10.53,-29.57,;10.52,-31.19,;11.9,-32.11,;15.97,-34.25,;16,-35.78,;17.29,-33.46,;18.64,-34.21,;19.96,-33.42,;21.3,-34.16,;21.2,-35.7,;22.62,-36.27,;23.61,-35.09,;25.14,-35.03,;25.85,-33.68,;25.03,-32.38,;23.51,-32.44,;22.8,-33.79,)| Show InChI InChI=1S/C27H31N5O/c28-27(29)30-15-6-16-32(19-20-13-14-21-7-1-2-8-22(21)17-20)26(33)12-5-9-23-18-31-25-11-4-3-10-24(23)25/h1-4,7-8,10-11,13-14,17-18,31H,5-6,9,12,15-16,19H2,(H4,28,29,30)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+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 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))	BDBM50217655 (CHEMBL238149 | N-(3-guanidino-propyl)-4-(1H-indol-...) Show SMILES NC(N)=NCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 |(12.1,-27.56,;13.64,-27.56,;14.41,-26.24,;14.41,-28.9,;13.11,-29.73,;13.19,-31.27,;14.56,-31.97,;14.64,-33.51,;13.31,-34.45,;11.91,-33.63,;10.51,-34.44,;9.1,-33.62,;9.11,-31.99,;7.71,-31.18,;7.71,-29.56,;9.13,-28.75,;10.53,-29.57,;10.52,-31.19,;11.9,-32.11,;15.97,-34.25,;16,-35.78,;17.29,-33.46,;18.64,-34.21,;19.96,-33.42,;21.3,-34.16,;21.2,-35.7,;22.62,-36.27,;23.61,-35.09,;25.14,-35.03,;25.85,-33.68,;25.03,-32.38,;23.51,-32.44,;22.8,-33.79,)| Show InChI InChI=1S/C27H31N5O/c28-27(29)30-15-6-16-32(19-20-13-14-21-7-1-2-8-22(21)17-20)26(33)12-5-9-23-18-31-25-11-4-3-10-24(23)25/h1-4,7-8,10-11,13-14,17-18,31H,5-6,9,12,15-16,19H2,(H4,28,29,30)	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 5 (MC5R) (Homo sapiens (Human))	BDBM50217655 (CHEMBL238149 | N-(3-guanidino-propyl)-4-(1H-indol-...) Show SMILES NC(N)=NCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 |(12.1,-27.56,;13.64,-27.56,;14.41,-26.24,;14.41,-28.9,;13.11,-29.73,;13.19,-31.27,;14.56,-31.97,;14.64,-33.51,;13.31,-34.45,;11.91,-33.63,;10.51,-34.44,;9.1,-33.62,;9.11,-31.99,;7.71,-31.18,;7.71,-29.56,;9.13,-28.75,;10.53,-29.57,;10.52,-31.19,;11.9,-32.11,;15.97,-34.25,;16,-35.78,;17.29,-33.46,;18.64,-34.21,;19.96,-33.42,;21.3,-34.16,;21.2,-35.7,;22.62,-36.27,;23.61,-35.09,;25.14,-35.03,;25.85,-33.68,;25.03,-32.38,;23.51,-32.44,;22.8,-33.79,)| Show InChI InChI=1S/C27H31N5O/c28-27(29)30-15-6-16-32(19-20-13-14-21-7-1-2-8-22(21)17-20)26(33)12-5-9-23-18-31-25-11-4-3-10-24(23)25/h1-4,7-8,10-11,13-14,17-18,31H,5-6,9,12,15-16,19H2,(H4,28,29,30)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10E+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 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))	BDBM50217655 (CHEMBL238149 | N-(3-guanidino-propyl)-4-(1H-indol-...) Show SMILES NC(N)=NCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 |(12.1,-27.56,;13.64,-27.56,;14.41,-26.24,;14.41,-28.9,;13.11,-29.73,;13.19,-31.27,;14.56,-31.97,;14.64,-33.51,;13.31,-34.45,;11.91,-33.63,;10.51,-34.44,;9.1,-33.62,;9.11,-31.99,;7.71,-31.18,;7.71,-29.56,;9.13,-28.75,;10.53,-29.57,;10.52,-31.19,;11.9,-32.11,;15.97,-34.25,;16,-35.78,;17.29,-33.46,;18.64,-34.21,;19.96,-33.42,;21.3,-34.16,;21.2,-35.7,;22.62,-36.27,;23.61,-35.09,;25.14,-35.03,;25.85,-33.68,;25.03,-32.38,;23.51,-32.44,;22.8,-33.79,)| Show InChI InChI=1S/C27H31N5O/c28-27(29)30-15-6-16-32(19-20-13-14-21-7-1-2-8-22(21)17-20)26(33)12-5-9-23-18-31-25-11-4-3-10-24(23)25/h1-4,7-8,10-11,13-14,17-18,31H,5-6,9,12,15-16,19H2,(H4,28,29,30)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.50E+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 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