BDBM50221113 CHEMBL397582::N-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)-2-(2-oxopyrrolidin-1-yl)propanoyl)piperazin-1-yl)phenyl)-3-methylbutyl)-3-(methylamino)propanamide

SMILES: CNCCC(=O)N[C@@H](CC(C)C)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O

InChI Key: InChIKey=XVNQYSVVZUWFTA-LMSSTIIKSA-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 = 50221113   

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))	BDBM50221113 (CHEMBL397582 | N-((S)-1-(2-(4-((R)-3-(2,4-dichloro...) Show SMILES CNCCC(=O)N[C@@H](CC(C)C)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C32H43Cl2N5O3/c1-22(2)19-27(36-30(40)12-13-35-3)25-7-4-5-8-28(25)37-15-17-38(18-16-37)32(42)29(39-14-6-9-31(39)41)20-23-10-11-24(33)21-26(23)34/h4-5,7-8,10-11,21-22,27,29,35H,6,9,12-20H2,1-3H3,(H,36,40)/t27-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	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))	BDBM50221113 (CHEMBL397582 | N-((S)-1-(2-(4-((R)-3-(2,4-dichloro...) Show SMILES CNCCC(=O)N[C@@H](CC(C)C)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C32H43Cl2N5O3/c1-22(2)19-27(36-30(40)12-13-35-3)25-7-4-5-8-28(25)37-15-17-38(18-16-37)32(42)29(39-14-6-9-31(39)41)20-23-10-11-24(33)21-26(23)34/h4-5,7-8,10-11,21-22,27,29,35H,6,9,12-20H2,1-3H3,(H,36,40)/t27-,29+/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	1.30E+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))	BDBM50221113 (CHEMBL397582 | N-((S)-1-(2-(4-((R)-3-(2,4-dichloro...) Show SMILES CNCCC(=O)N[C@@H](CC(C)C)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C32H43Cl2N5O3/c1-22(2)19-27(36-30(40)12-13-35-3)25-7-4-5-8-28(25)37-15-17-38(18-16-37)32(42)29(39-14-6-9-31(39)41)20-23-10-11-24(33)21-26(23)34/h4-5,7-8,10-11,21-22,27,29,35H,6,9,12-20H2,1-3H3,(H,36,40)/t27-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	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