BDBM50221130 CHEMBL235640::N-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)-2-(2-oxopyrrolidin-1-yl)propanoyl)piperazin-1-yl)phenyl)-3-methylbutyl)-2-(methylamino)acetamide

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

InChI Key: InChIKey=BBMVDIOZDPPMNA-XTEPFMGCSA-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 = 50221130   

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))	BDBM50221130 (CHEMBL235640 | N-((S)-1-(2-(4-((R)-3-(2,4-dichloro...) Show SMILES CNCC(=O)N[C@@H](CC(C)C)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C31H41Cl2N5O3/c1-21(2)17-26(35-29(39)20-34-3)24-7-4-5-8-27(24)36-13-15-37(16-14-36)31(41)28(38-12-6-9-30(38)40)18-22-10-11-23(32)19-25(22)33/h4-5,7-8,10-11,19,21,26,28,34H,6,9,12-18,20H2,1-3H3,(H,35,39)/t26-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	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))	BDBM50221130 (CHEMBL235640 | N-((S)-1-(2-(4-((R)-3-(2,4-dichloro...) Show SMILES CNCC(=O)N[C@@H](CC(C)C)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C31H41Cl2N5O3/c1-21(2)17-26(35-29(39)20-34-3)24-7-4-5-8-27(24)36-13-15-37(16-14-36)31(41)28(38-12-6-9-30(38)40)18-22-10-11-23(32)19-25(22)33/h4-5,7-8,10-11,19,21,26,28,34H,6,9,12-18,20H2,1-3H3,(H,35,39)/t26-,28+/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	2.30E+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))	BDBM50221130 (CHEMBL235640 | N-((S)-1-(2-(4-((R)-3-(2,4-dichloro...) Show SMILES CNCC(=O)N[C@@H](CC(C)C)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C31H41Cl2N5O3/c1-21(2)17-26(35-29(39)20-34-3)24-7-4-5-8-27(24)36-13-15-37(16-14-36)31(41)28(38-12-6-9-30(38)40)18-22-10-11-23(32)19-25(22)33/h4-5,7-8,10-11,19,21,26,28,34H,6,9,12-18,20H2,1-3H3,(H,35,39)/t26-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	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