BDBM50418094 CHEMBL1743357

SMILES C\C(CCC(O)C(C)(C)OC(CC\C(C)=C\COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O)=C/COc1c2ccoc2cc2oc(=O)ccc12

InChI Key InChIKey=AGWWNHLHAZTYCS-RYQLWAFASA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50418094   

TargetCytochrome P450 3A4(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50418094(CHEMBL1743357)
Affinity DataKi:  130nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by nifedipine oxidation, omeprazole 3-hydroxylation and omeprazole sulfoxydationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed