BDBM50025346 CHEMBL502381

SMILES: CCOC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)NC1CCC1

InChI Key: InChIKey=FEUFUIYJXCOHJM-UIUQJESISA-N

Data: 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 1 hit for monomerid = 50025346   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50025346 (CHEMBL502381) Show SMILES CCOC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)NC1CCC1 |r| Show InChI InChI=1S/C32H33Cl4N5O6S/c1-2-47-32(44)27(10-18-6-8-22(9-7-18)39-31(43)29-25(35)15-37-16-26(29)36)40-30(42)28-14-23(38-21-4-3-5-21)17-41(28)48(45,46)24-12-19(33)11-20(34)13-24/h6-9,11-13,15-16,21,23,27-28,38H,2-5,10,14,17H2,1H3,(H,39,43)(H,40,42)/t23-,27+,28+/m1/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	<400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				J Med Chem 52: 3449-52 (2009) Article DOI: 10.1021/jm900257b BindingDB Entry DOI: 10.7270/Q2TT4QT9
					More data for this Ligand-Target Pair