BDBM50221141 CHEMBL397583::N-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)-2-(2-oxopyrrolidin-1-yl)propanoyl)piperazin-1-yl)-5-methylphenyl)-3-methylbutyl)-3-(methylamino)propanamide

SMILES: CNCCC(=O)N[C@@H](CC(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O

InChI Key: InChIKey=NAHRDBPWFMIDIX-MFMCTBQISA-N

Data: 1 KI  2 IC50

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 3 hits for monomerid = 50221141   

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))	BDBM50221141 (CHEMBL397583 | N-((S)-1-(2-(4-((R)-3-(2,4-dichloro...) Show SMILES CNCCC(=O)N[C@@H](CC(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C33H45Cl2N5O3/c1-22(2)18-28(37-31(41)11-12-36-4)26-19-23(3)7-10-29(26)38-14-16-39(17-15-38)33(43)30(40-13-5-6-32(40)42)20-24-8-9-25(34)21-27(24)35/h7-10,19,21-22,28,30,36H,5-6,11-18,20H2,1-4H3,(H,37,41)/t28-,30+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity at human MC4R				Bioorg Med Chem Lett 17: 5610-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.097 BindingDB Entry DOI: 10.7270/Q2XK8F8V
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50221141 (CHEMBL397583 | N-((S)-1-(2-(4-((R)-3-(2,4-dichloro...) Show SMILES CNCCC(=O)N[C@@H](CC(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C33H45Cl2N5O3/c1-22(2)18-28(37-31(41)11-12-36-4)26-19-23(3)7-10-29(26)38-14-16-39(17-15-38)33(43)30(40-13-5-6-32(40)42)20-24-8-9-25(34)21-27(24)35/h7-10,19,21-22,28,30,36H,5-6,11-18,20H2,1-4H3,(H,37,41)/t28-,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of microsomal CYP3A4				Bioorg Med Chem Lett 17: 5610-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.097 BindingDB Entry DOI: 10.7270/Q2XK8F8V
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50221141 (CHEMBL397583 | N-((S)-1-(2-(4-((R)-3-(2,4-dichloro...) Show SMILES CNCCC(=O)N[C@@H](CC(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C33H45Cl2N5O3/c1-22(2)18-28(37-31(41)11-12-36-4)26-19-23(3)7-10-29(26)38-14-16-39(17-15-38)33(43)30(40-13-5-6-32(40)42)20-24-8-9-25(34)21-27(24)35/h7-10,19,21-22,28,30,36H,5-6,11-18,20H2,1-4H3,(H,37,41)/t28-,30+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human MC4R expressed in HEK293 cells by cAMP accumulation assay				Bioorg Med Chem Lett 17: 5610-3 (2007) Article DOI: 10.1016/j.bmcl.2007.07.097 BindingDB Entry DOI: 10.7270/Q2XK8F8V
					More data for this Ligand-Target Pair