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  50 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 4 hits for monomerid = 151585   

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 DepthDetails
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 DepthDetails
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 DepthDetails
US Patent

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 DepthDetails
US Patent