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

SMILES CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@@H]3CO[C@@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl

InChI Key InChIKey=XMAYWYJOQHXEEK-UHFFFAOYSA-N

Data  2 KI  50 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 4 hits for monomerid = 151585   

TargetCytochrome P450 3A4(Human)
Innocrin Pharmaceuticals

US Patent
LigandPNGBDBM151585(US8987315, Ketoconazole | US9180183, Ketoconazole ...)
Affinity DataIC50: 150nMAssay 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 Depth
Date in BDB:
8/25/2015
Entry Details
US Patent
PDB3D3D Structure (crystal)
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Human)
Innocrin Pharmaceuticals

US Patent
LigandPNGBDBM151585(US8987315, Ketoconazole | US9180183, Ketoconazole ...)
Affinity DataIC50: 400nMAssay 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 Depth
Date in BDB:
8/25/2015
Entry Details
US Patent

TargetCytochrome P450 2C19(Human)
Innocrin Pharmaceuticals

US Patent
LigandPNGBDBM151585(US8987315, Ketoconazole | US9180183, Ketoconazole ...)
Affinity DataIC50: 1.90E+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 Depth
Date in BDB:
8/25/2015
Entry Details
US Patent

TargetCytochrome P450 2C9(Human)
Innocrin Pharmaceuticals

US Patent
LigandPNGBDBM151585(US8987315, Ketoconazole | US9180183, Ketoconazole ...)
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 Depth
Date in BDB:
8/25/2015
Entry Details
US Patent