BDBM50253735 (2S)-2-((3S)-4-{4-Fluoro-N-[(methyloxy)acetyl]-D-phenylalanyl}-2-oxo-3-propyl-1-piperazinyl)-N-methyl-3-(2-naphthalenyl)propanamide::CHEMBL449050

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

InChI Key: InChIKey=VTKKYXSRNMKYHV-ULNSLHSMSA-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 = 50253735   

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))	BDBM50253735 ((2S)-2-((3S)-4-{4-Fluoro-N-[(methyloxy)acetyl]-D-p...) Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)COC |r| Show InChI InChI=1S/C33H39FN4O5/c1-4-7-28-33(42)38(29(31(40)35-2)20-23-10-13-24-8-5-6-9-25(24)18-23)17-16-37(28)32(41)27(36-30(39)21-43-3)19-22-11-14-26(34)15-12-22/h5-6,8-15,18,27-29H,4,7,16-17,19-21H2,1-3H3,(H,35,40)(H,36,39)/t27-,28+,29+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	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))	BDBM50253735 ((2S)-2-((3S)-4-{4-Fluoro-N-[(methyloxy)acetyl]-D-p...) Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)COC |r| Show InChI InChI=1S/C33H39FN4O5/c1-4-7-28-33(42)38(29(31(40)35-2)20-23-10-13-24-8-5-6-9-25(24)18-23)17-16-37(28)32(41)27(36-30(39)21-43-3)19-22-11-14-26(34)15-12-22/h5-6,8-15,18,27-29H,4,7,16-17,19-21H2,1-3H3,(H,35,40)(H,36,39)/t27-,28+,29+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	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))	BDBM50253735 ((2S)-2-((3S)-4-{4-Fluoro-N-[(methyloxy)acetyl]-D-p...) Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)COC |r| Show InChI InChI=1S/C33H39FN4O5/c1-4-7-28-33(42)38(29(31(40)35-2)20-23-10-13-24-8-5-6-9-25(24)18-23)17-16-37(28)32(41)27(36-30(39)21-43-3)19-22-11-14-26(34)15-12-22/h5-6,8-15,18,27-29H,4,7,16-17,19-21H2,1-3H3,(H,35,40)(H,36,39)/t27-,28+,29+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	889	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))	BDBM50253735 ((2S)-2-((3S)-4-{4-Fluoro-N-[(methyloxy)acetyl]-D-p...) Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)COC |r| Show InChI InChI=1S/C33H39FN4O5/c1-4-7-28-33(42)38(29(31(40)35-2)20-23-10-13-24-8-5-6-9-25(24)18-23)17-16-37(28)32(41)27(36-30(39)21-43-3)19-22-11-14-26(34)15-12-22/h5-6,8-15,18,27-29H,4,7,16-17,19-21H2,1-3H3,(H,35,40)(H,36,39)/t27-,28+,29+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5	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))	BDBM50253735 ((2S)-2-((3S)-4-{4-Fluoro-N-[(methyloxy)acetyl]-D-p...) Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)COC |r| Show InChI InChI=1S/C33H39FN4O5/c1-4-7-28-33(42)38(29(31(40)35-2)20-23-10-13-24-8-5-6-9-25(24)18-23)17-16-37(28)32(41)27(36-30(39)21-43-3)19-22-11-14-26(34)15-12-22/h5-6,8-15,18,27-29H,4,7,16-17,19-21H2,1-3H3,(H,35,40)(H,36,39)/t27-,28+,29+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	308	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))	BDBM50253735 ((2S)-2-((3S)-4-{4-Fluoro-N-[(methyloxy)acetyl]-D-p...) Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)COC |r| Show InChI InChI=1S/C33H39FN4O5/c1-4-7-28-33(42)38(29(31(40)35-2)20-23-10-13-24-8-5-6-9-25(24)18-23)17-16-37(28)32(41)27(36-30(39)21-43-3)19-22-11-14-26(34)15-12-22/h5-6,8-15,18,27-29H,4,7,16-17,19-21H2,1-3H3,(H,35,40)(H,36,39)/t27-,28+,29+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	215	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