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 5 hits for monomerid = 151585   

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

US Patent
LigandPNGBDBM151585(US8987315, Ketoconazole | US9180183, Ketoconazole ...)
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 Depth
Date in BDB:
4/3/2017
Entry Details
US Patent

TargetCytochrome P450 11B2, mitochondrial(Human)
Universitat Des Saarlandes

US Patent
LigandPNGBDBM151585(US8987315, Ketoconazole | US9180183, Ketoconazole ...)
Affinity DataIC50: 81nMT: 2°CAssay Description:V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/3/2017
Entry Details
US Patent

TargetCytochrome P450 11B2, mitochondrial(Human)
Universitat Des Saarlandes

US Patent
LigandPNGBDBM151585(US8987315, Ketoconazole | US9180183, Ketoconazole ...)
Affinity DataIC50: 81nMT: 2°CAssay Description:V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/3/2017
Entry Details
US Patent

TargetCytochrome P450 11B1, mitochondrial(Human)
Universitat Des Saarlandes

US Patent
LigandPNGBDBM151585(US8987315, Ketoconazole | US9180183, Ketoconazole ...)
Affinity DataIC50: 224nMT: 2°CAssay Description:V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/3/2017
Entry Details
US Patent

TargetCytochrome P450 11B1, mitochondrial(Human)
Universitat Des Saarlandes

US Patent
LigandPNGBDBM151585(US8987315, Ketoconazole | US9180183, Ketoconazole ...)
Affinity DataIC50: 224nMT: 2°CAssay Description:V79 MZh11B1 and V79 MZh 11B2 cells (8˙10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/3/2017
Entry Details
US Patent