BDBM17974 (2R)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-4-(3-methoxypropyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one::1,4-benzoxazin-3-one, 11::diaminopyrimidine renin inhibitor compound, 5

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

InChI Key InChIKey=BIRFZNWWCAWOJS-LLVKDONJSA-N

Data  3 IC50  1 ITC

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 17974   

TargetRenin(Homo sapiens (Human))
Pfizer

LigandPNGBDBM17974((2R)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-4-(3-me...)
Affinity DataIC50:  132nMpH: 7.4 T: 2°CAssay 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
TargetRenin(Homo sapiens (Human))
Pfizer

LigandPNGBDBM17974((2R)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-4-(3-me...)
Affinity DataIC50:  132nMAssay Description:Inhibition of renin (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRenin(Homo sapiens (Human))
Pfizer

LigandPNGBDBM17974((2R)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-4-(3-me...)
Affinity DataIC50:  125nMpH: 7.4 T: 2°CAssay 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

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 17974   

CellPNGBDBM17974((2R)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-4-(3-me...)
Pfizer

SyringeRenin(Homo sapiens (Human))
ITC DataΔG°: -9.27kcal/mole −TΔS°: 4.01kcal/mole ΔH°: -13.3kcal/mole logk: 5.62E+6
pH: 7.0 T: 28.00°C