BDBM50253741 (S)-2-((S)-4-((R)-2-Acetamido-3-amino propan-(4-fluorophenyl)-propanoyl)-2-oxo-3-propylpiperazin-1-yl)-N-methyl-3-(naphthalen-2-yl)propanamide::CHEMBL453734

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

InChI Key: InChIKey=RDQOUEKWQGRDRJ-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 = 50253741   

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))	BDBM50253741 ((S)-2-((S)-4-((R)-2-Acetamido-3-amino propan-(4-fl...) Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)N |r| Show InChI InChI=1S/C34H42FN5O4/c1-5-8-28-32(43)40(29(30(41)37-4)21-23-11-14-24-9-6-7-10-25(24)19-23)18-17-39(28)31(42)27(38-33(44)34(2,3)36)20-22-12-15-26(35)16-13-22/h6-7,9-16,19,27-29H,5,8,17-18,20-21,36H2,1-4H3,(H,37,41)(H,38,44)/t27-,28+,29+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	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
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50253741 ((S)-2-((S)-4-((R)-2-Acetamido-3-amino propan-(4-fl...) Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)N |r| Show InChI InChI=1S/C34H42FN5O4/c1-5-8-28-32(43)40(29(30(41)37-4)21-23-11-14-24-9-6-7-10-25(24)19-23)18-17-39(28)31(42)27(38-33(44)34(2,3)36)20-22-12-15-26(35)16-13-22/h6-7,9-16,19,27-29H,5,8,17-18,20-21,36H2,1-4H3,(H,37,41)(H,38,44)/t27-,28+,29+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	174	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 3 (Homo sapiens (Human))	BDBM50253741 ((S)-2-((S)-4-((R)-2-Acetamido-3-amino propan-(4-fl...) Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)N |r| Show InChI InChI=1S/C34H42FN5O4/c1-5-8-28-32(43)40(29(30(41)37-4)21-23-11-14-24-9-6-7-10-25(24)19-23)18-17-39(28)31(42)27(38-33(44)34(2,3)36)20-22-12-15-26(35)16-13-22/h6-7,9-16,19,27-29H,5,8,17-18,20-21,36H2,1-4H3,(H,37,41)(H,38,44)/t27-,28+,29+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	322	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
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50253741 ((S)-2-((S)-4-((R)-2-Acetamido-3-amino propan-(4-fl...) Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)N |r| Show InChI InChI=1S/C34H42FN5O4/c1-5-8-28-32(43)40(29(30(41)37-4)21-23-11-14-24-9-6-7-10-25(24)19-23)18-17-39(28)31(42)27(38-33(44)34(2,3)36)20-22-12-15-26(35)16-13-22/h6-7,9-16,19,27-29H,5,8,17-18,20-21,36H2,1-4H3,(H,37,41)(H,38,44)/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	1.20	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))	BDBM50253741 ((S)-2-((S)-4-((R)-2-Acetamido-3-amino propan-(4-fl...) Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)N |r| Show InChI InChI=1S/C34H42FN5O4/c1-5-8-28-32(43)40(29(30(41)37-4)21-23-11-14-24-9-6-7-10-25(24)19-23)18-17-39(28)31(42)27(38-33(44)34(2,3)36)20-22-12-15-26(35)16-13-22/h6-7,9-16,19,27-29H,5,8,17-18,20-21,36H2,1-4H3,(H,37,41)(H,38,44)/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	145	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))	BDBM50253741 ((S)-2-((S)-4-((R)-2-Acetamido-3-amino propan-(4-fl...) Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)N |r| Show InChI InChI=1S/C34H42FN5O4/c1-5-8-28-32(43)40(29(30(41)37-4)21-23-11-14-24-9-6-7-10-25(24)19-23)18-17-39(28)31(42)27(38-33(44)34(2,3)36)20-22-12-15-26(35)16-13-22/h6-7,9-16,19,27-29H,5,8,17-18,20-21,36H2,1-4H3,(H,37,41)(H,38,44)/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	44	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