BDBM151585 US11739089, Compound Ketoconazole::US8987315, Ketoconazole::US9180183, Ketoconazole::US9271963, Ketoconazole::US9394290, KTZ (ketoconazole)::US9963439, Ketoconazole

SMILES CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1

InChI Key InChIKey=XMAYWYJOQHXEEK-UHFFFAOYSA-N

Data  2 KI  49 IC50

PDB links: 2 PDB IDs match this monomer.

  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 2 hits for monomerid = 151585   

TargetCytochrome P450 2C9(Homo sapiens (Human))
University of Washington Through Its Center For Commercialization

US Patent
LigandPNGBDBM151585(US11739089, Compound Ketoconazole | US8987315, Ket...)
Affinity DataIC50:  2.57E+3nMAssay Description:Compounds were assessed for inhibition (IC50, n=2) of CYP2C8, CYP2C9 and CYP3A4 in pooled human liver microsomes using selective probe substrates at ...More data for this Ligand-Target Pair
In DepthDetails US PatentDrugBank

TargetCytochrome P450 2C9(Homo sapiens (Human))
University of Washington Through Its Center For Commercialization

US Patent
LigandPNGBDBM151585(US11739089, Compound Ketoconazole | US8987315, Ket...)
Affinity DataIC50:  4.00E+4nMAssay Description:Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 uM by serial dilution with DMSO:MeC...More data for this Ligand-Target Pair
In DepthDetails US PatentDrugBank