BDBM50598999 CHEMBL5197351

SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2Cl)-c2ccsc2)[C@H]1NC(C)=O)C(O)=O

InChI Key InChIKey=ZBODECNZYYNPIT-RBZQAINGSA-N

Data  7 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50598999   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50598999(CHEMBL5197351)
Affinity DataIC50:  7.25E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes incubated for 10 mins in the presence of NADPH by high performance liquid chromatography-tandem mass s...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed