BDBM50253739 CHEMBL463047::N-((R)-3-(4-Fluorophenyl)-1-((S)-4-((S)-1-(methylamino)-3-(naphthalen-2-yl)-1-oxopropan-2-yl)-3-oxo-2-propylpiperazin-1-yl)-1-oxopropan-2-yl)nicotinamide

SMILES: CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccnc1

InChI Key: InChIKey=NVXVBSBXBTZZNU-RTOKGZNSSA-N

Data: 3 KI  3 EC50

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 = 50253739   

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 4 (Homo sapiens (Human))	BDBM50253739 (CHEMBL463047 | N-((R)-3-(4-Fluorophenyl)-1-((S)-4-...) Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccnc1 |r| Show InChI InChI=1S/C36H38FN5O4/c1-3-7-31-36(46)42(32(34(44)38-2)22-25-11-14-26-8-4-5-9-27(26)20-25)19-18-41(31)35(45)30(21-24-12-15-29(37)16-13-24)40-33(43)28-10-6-17-39-23-28/h4-6,8-17,20,23,30-32H,3,7,18-19,21-22H2,1-2H3,(H,38,44)(H,40,43)/t30-,31+,32+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cells				J Med Chem 51: 6055-66 (2008) Article DOI: 10.1021/jm800525p BindingDB Entry DOI: 10.7270/Q2DV1JQC
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50253739 (CHEMBL463047 | N-((R)-3-(4-Fluorophenyl)-1-((S)-4-...) Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccnc1 |r| Show InChI InChI=1S/C36H38FN5O4/c1-3-7-31-36(46)42(32(34(44)38-2)22-25-11-14-26-8-4-5-9-27(26)20-25)19-18-41(31)35(45)30(21-24-12-15-29(37)16-13-24)40-33(43)28-10-6-17-39-23-28/h4-6,8-17,20,23,30-32H,3,7,18-19,21-22H2,1-2H3,(H,38,44)(H,40,43)/t30-,31+,32+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	144	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of europium-labeled NDP-alpha-MSH from human MC3R expressed in HEK293 cells				J Med Chem 51: 6055-66 (2008) Article DOI: 10.1021/jm800525p BindingDB Entry DOI: 10.7270/Q2DV1JQC
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50253739 (CHEMBL463047 | N-((R)-3-(4-Fluorophenyl)-1-((S)-4-...) Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccnc1 |r| Show InChI InChI=1S/C36H38FN5O4/c1-3-7-31-36(46)42(32(34(44)38-2)22-25-11-14-26-8-4-5-9-27(26)20-25)19-18-41(31)35(45)30(21-24-12-15-29(37)16-13-24)40-33(43)28-10-6-17-39-23-28/h4-6,8-17,20,23,30-32H,3,7,18-19,21-22H2,1-2H3,(H,38,44)(H,40,43)/t30-,31+,32+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	364	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human MC1R expressed in HEK293 cells assessed as effect on CRE-driven luminescence by luciferase reporter gene assay				J Med Chem 51: 6055-66 (2008) Article DOI: 10.1021/jm800525p BindingDB Entry DOI: 10.7270/Q2DV1JQC
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50253739 (CHEMBL463047 | N-((R)-3-(4-Fluorophenyl)-1-((S)-4-...) Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccnc1 |r| Show InChI InChI=1S/C36H38FN5O4/c1-3-7-31-36(46)42(32(34(44)38-2)22-25-11-14-26-8-4-5-9-27(26)20-25)19-18-41(31)35(45)30(21-24-12-15-29(37)16-13-24)40-33(43)28-10-6-17-39-23-28/h4-6,8-17,20,23,30-32H,3,7,18-19,21-22H2,1-2H3,(H,38,44)(H,40,43)/t30-,31+,32+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human MC4R expressed in HEK293 cells assessed as effect on CRE-driven luminescence by luciferase reporter gene assay				J Med Chem 51: 6055-66 (2008) Article DOI: 10.1021/jm800525p BindingDB Entry DOI: 10.7270/Q2DV1JQC
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50253739 (CHEMBL463047 | N-((R)-3-(4-Fluorophenyl)-1-((S)-4-...) Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccnc1 |r| Show InChI InChI=1S/C36H38FN5O4/c1-3-7-31-36(46)42(32(34(44)38-2)22-25-11-14-26-8-4-5-9-27(26)20-25)19-18-41(31)35(45)30(21-24-12-15-29(37)16-13-24)40-33(43)28-10-6-17-39-23-28/h4-6,8-17,20,23,30-32H,3,7,18-19,21-22H2,1-2H3,(H,38,44)(H,40,43)/t30-,31+,32+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	193	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human MC1R expressed in HEK293 cells assessed as effect on CRE-driven luminescence by luciferase reporter gene assay				J Med Chem 51: 6055-66 (2008) Article DOI: 10.1021/jm800525p BindingDB Entry DOI: 10.7270/Q2DV1JQC
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50253739 (CHEMBL463047 | N-((R)-3-(4-Fluorophenyl)-1-((S)-4-...) Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccnc1 |r| Show InChI InChI=1S/C36H38FN5O4/c1-3-7-31-36(46)42(32(34(44)38-2)22-25-11-14-26-8-4-5-9-27(26)20-25)19-18-41(31)35(45)30(21-24-12-15-29(37)16-13-24)40-33(43)28-10-6-17-39-23-28/h4-6,8-17,20,23,30-32H,3,7,18-19,21-22H2,1-2H3,(H,38,44)(H,40,43)/t30-,31+,32+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	147	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human MC3R expressed in HEK293 cells assessed as effect on CRE-driven luminescence by luciferase reporter gene assay				J Med Chem 51: 6055-66 (2008) Article DOI: 10.1021/jm800525p BindingDB Entry DOI: 10.7270/Q2DV1JQC
					More data for this Ligand-Target Pair