BDBM17996 1,4-benzoxazin-3-one, 33::N-{2-[(2S)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-methyl-3-oxo-2-phenyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl]ethyl}acetamide

SMILES CCc1nc(N)nc(N)c1-c1ccc2O[C@](C)(C(=O)N(CCNC(C)=O)c2c1)c1ccccc1

InChI Key InChIKey=UQHQDWYHACOCCN-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 17996   

TargetRenin(Human)
Pfizer

LigandPNGBDBM17996(N-{2-[(2S)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2...)
Affinity DataIC50: 0.800nMAssay Description:The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/19/2007
Entry Details Article
PubMed
TargetRenin(Human)
Pfizer

LigandPNGBDBM17996(N-{2-[(2S)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2...)
Affinity DataIC50: 0.800nMAssay Description:Inhibition of human recombinant renin in bufferMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2011
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM17996(N-{2-[(2S)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2011
Entry Details Article
PubMed