BDBM50512317 CHEMBL4569626

SMILES COc1cc(ccc1Nc1nc(O[C@H]2CCOC(C)(C)C2)c2cc[nH]c2n1)N1CCN(CC1)C1COC1

InChI Key InChIKey=KMCUEAMBSQYCFS-FQEVSTJZSA-N

Data  3 IC50

  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 = 50512317   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50512317(CHEMBL4569626)
Affinity DataIC50: >5.00E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using ketoconazole as substrate incubated for 5 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed