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-UHFFFAOYSA-N

Data  3 IC50  1 ITC

  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 = 17974   

TargetRenin(Human)
Pfizer

LigandPNGBDBM17974(diaminopyrimidine renin inhibitor compound, 5 | (2...)
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 Depth
Date in BDB:
9/19/2007
Entry Details Article
PubMed
TargetRenin(Human)
Pfizer

LigandPNGBDBM17974(diaminopyrimidine renin inhibitor compound, 5 | (2...)
Affinity DataIC50: 132nMAssay Description:Inhibition of renin (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetRenin(Human)
Pfizer

LigandPNGBDBM17974(diaminopyrimidine renin inhibitor compound, 5 | (2...)
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 Depth
Date in BDB:
9/19/2007
Entry Details Article
PubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 17974   

CellPNGBDBM17974(diaminopyrimidine renin inhibitor compound, 5 | (2...)
Pfizer

SyringeRenin(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