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-VWLOTQADSA-N

Data  3 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 3 hits for monomerid = 17996   

TargetRenin(Homo sapiens (Human))
Pfizer

LigandPNGBDBM17996(1,4-benzoxazin-3-one, 33 | N-{2-[(2S)-6-(2,4-diami...)
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 DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM17996(1,4-benzoxazin-3-one, 33 | N-{2-[(2S)-6-(2,4-diami...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRenin(Homo sapiens (Human))
Pfizer

LigandPNGBDBM17996(1,4-benzoxazin-3-one, 33 | N-{2-[(2S)-6-(2,4-diami...)
Affinity DataIC50:  0.800nMAssay Description:Inhibition of human recombinant renin in bufferMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed