BDBM60666 US9150527, Ketoconazole

SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1

InChI Key InChIKey=XMAYWYJOQHXEEK-OZXSUGGESA-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   

TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (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 DepthDetails US Patent
TargetCytochrome P450 3A4(Homo sapiens (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 DepthDetails US Patent
TargetCytochrome P450 2C19(Homo sapiens (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 DepthDetails US Patent
TargetCytochrome P450 2C9(Homo sapiens (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 DepthDetails US Patent