null

SMILES Cc1ccncc1-c1cccc2n(cnc12)-c1cnccn1

InChI Key InChIKey=PWNBMSMZAGANKS-UHFFFAOYSA-N

  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(Homo sapiens (Human))
Bristol-Meyers Squibb Company

US Patent
LigandPNGBDBM50391840(CHEMBL2147035 | US9133160, 4)copy SMILEScopy InChI
Affinity DataIC50: 37nMpH: 7.2 T: 2°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
BindingDB Entry DOI: 10.7270/Q2KD1WQKUS Patent
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Bristol-Meyers Squibb Company

US Patent
LigandPNGBDBM50391840(CHEMBL2147035 | US9133160, 4)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2V125W6PubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50391840(CHEMBL2147035 | US9133160, 4)copy SMILEScopy InChI
Affinity DataIC50: 180nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TH8PK5PubMed
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Bristol-Meyers Squibb Company

US Patent
LigandPNGBDBM50391840(CHEMBL2147035 | US9133160, 4)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2TH8PK5PubMed