BDBM60666 US9150527, 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  4 IC50

PDB links: 4 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 = 60666   

TargetCytochrome P450 3A4(Human)
Innocrin Pharmaceuticals

US Patent
LigandPNGBDBM60666(US9150527, Ketoconazole)
Affinity DataIC50: 150nMAssay Description:CYP17 activity was assayed according to the following procedure. Solutions of each test compound and isozyme inhibitor (ketoconazole) were separately...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2016
Entry Details
Go to US Patent

TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Human)
Innocrin Pharmaceuticals

US Patent
LigandPNGBDBM60666(US9150527, Ketoconazole)
Affinity DataIC50: 400nMAssay Description:CYP17 activity was assayed according to the following procedure. Solutions of each test compound and isozyme inhibitor (ketoconazole) were separately...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2016
Entry Details
Go to US Patent

TargetCytochrome P450 2C19(Human)
Innocrin Pharmaceuticals

US Patent
LigandPNGBDBM60666(US9150527, Ketoconazole)
Affinity DataIC50: 1.90E+4nMAssay Description:CYP17 activity was assayed according to the following procedure. Solutions of each test compound and isozyme inhibitor (ketoconazole) were separately...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2016
Entry Details
Go to US Patent

TargetCytochrome P450 2C9(Human)
Innocrin Pharmaceuticals

US Patent
LigandPNGBDBM60666(US9150527, Ketoconazole)
Affinity DataIC50: 4.00E+4nMAssay Description:CYP17 activity was assayed according to the following procedure. Solutions of each test compound and isozyme inhibitor (ketoconazole) were separately...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2016
Entry Details
Go to US Patent