BDBM50391840 CHEMBL2147035::US9133160, 4

SMILES Cc1ccncc1-c1cccc2n(cnc12)-c1cnccn1

InChI Key InChIKey=PWNBMSMZAGANKS-UHFFFAOYSA-N

Data  4 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 = 50391840   

TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Human)
Bristol-Meyers Squibb

US Patent
LigandPNGBDBM50391840(CHEMBL2147035 | US9133160, 4)
Affinity DataIC50:  37nMpH: 7.2 T: 4°CAssay Description:The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 ul prepared from 7.5 ul additions of microsomes (prepared as...More data for this Ligand-Target Pair
In DepthDetails US Patent


TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Human)
Bristol-Meyers Squibb

US Patent
LigandPNGBDBM50391840(CHEMBL2147035 | US9133160, 4)
Affinity DataIC50:  37nMAssay Description:Inhibition of CYP17 transfected in human HEK2 cells using [3H]pregnenolone as substrate by SPA assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCytochrome P450 1A2(Human)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50391840(CHEMBL2147035 | US9133160, 4)
Affinity DataIC50:  180nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Human)
Bristol-Meyers Squibb

US Patent
LigandPNGBDBM50391840(CHEMBL2147035 | US9133160, 4)
Affinity DataIC50:  37nMAssay Description:Inhibition of human CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed