BDBM50221138 4-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)-2-(2-oxopyrrolidin-1-yl)propanoyl)piperazin-1-yl)-5-fluorophenyl)-3-methylbutylamino)butanoic acid::CHEMBL235955

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

InChI Key: InChIKey=MNKVGJVJTHPQCA-LMSSTIIKSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50221138   

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))	BDBM50221138 (4-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)-2-(2-ox...) Show SMILES CC(C)C[C@H](NCCCC(O)=O)c1cc(F)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C32H41Cl2FN4O4/c1-21(2)17-27(36-11-3-6-31(41)42)25-20-24(35)9-10-28(25)37-13-15-38(16-14-37)32(43)29(39-12-4-5-30(39)40)18-22-7-8-23(33)19-26(22)34/h7-10,19-21,27,29,36H,3-6,11-18H2,1-2H3,(H,41,42)/t27-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	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))	BDBM50221138 (4-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)-2-(2-ox...) Show SMILES CC(C)C[C@H](NCCCC(O)=O)c1cc(F)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O Show InChI InChI=1S/C32H41Cl2FN4O4/c1-21(2)17-27(36-11-3-6-31(41)42)25-20-24(35)9-10-28(25)37-13-15-38(16-14-37)32(43)29(39-12-4-5-30(39)40)18-22-7-8-23(33)19-26(22)34/h7-10,19-21,27,29,36H,3-6,11-18H2,1-2H3,(H,41,42)/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	2.10E+4	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