BDBM50391839 CHEMBL2147034::US9133160, 2

SMILES Cc1ccncc1-c1cccc2n(cnc12)-c1ccccn1

InChI Key InChIKey=WDKLQTCTEXQEBO-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:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50391839   

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

US Patent
LigandPNGBDBM50391839(CHEMBL2147034 | US9133160, 2)
Affinity DataIC50: 5.80nMpH: 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 Depth
Date in BDB:
5/16/2016
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM50391839(CHEMBL2147034 | US9133160, 2)
Affinity DataIC50: 6nMAssay 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 Depth
Date in BDB:
7/12/2017
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50391839(CHEMBL2147034 | US9133160, 2)
Affinity DataIC50: 94nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/12/2017
Entry Details Article
PubMed
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Human)
Bristol-Meyers Squibb

US Patent
LigandPNGBDBM50391839(CHEMBL2147034 | US9133160, 2)
Affinity DataIC50: 5.80nMAssay Description:Inhibition of CYP17 transfected in human HEK2 cells using [3H]pregnenolone as substrate by SPA assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed