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.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 151585   

TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Universitat Des Saarlandes

US Patent
LigandPNGBDBM151585(US11739089, Compound Ketoconazole | US8987315, Ket...)
Affinity DataIC50:  80.5nMpH: 7.4 T: 2°CAssay Description:A solution of 6.25 nmol of progesterone (in 5 μl of MeOH) was dissolved in 140 μl of phosphate buffer (0.05 M; pH 7.4; 1 mM MgCl2; 0.1 mM EDTA ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Universitat Des Saarlandes

US Patent
LigandPNGBDBM151585(US11739089, Compound Ketoconazole | US8987315, Ket...)
Affinity DataIC50:  48nMAssay Description:Inhibition of recombinant CYP17 (unknown origin) overexpressed in human AD293 cells using [21-3H]17alpha-hydroxyl-pregenolone as substrate preincubat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Universitat Des Saarlandes

US Patent
LigandPNGBDBM151585(US11739089, Compound Ketoconazole | US8987315, Ket...)
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