BDBM31768 CHEMBL295698::Ketoconazole::Nizoral::Panfungol

SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1

InChI Key InChIKey=XMAYWYJOQHXEEK-ZEQKJWHPSA-N

Data  15 KI  133 IC50  6 Kd

PDB links: 2 PDB IDs match this monomer.

  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 = 31768   

TargetCytochrome P450 3A4(Homo sapiens (Human))
University Of Lille

Curated by ChEMBL
LigandPNGBDBM31768(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Affinity DataIC50:  280nMAssay Description:Inhibition of recombinant CYP3A4 (unknown origin) using 7-benzyloxy-4-trifluoromethylcoumarin as substrateMore data for this Ligand-Target Pair