BDBM17980 1,4-benzoxazin-3-one, 17::6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one::diaminopyrimidine renin inhibitor compound, 8
SMILES CCc1nc(N)nc(N)c1-c1ccc2OC(C(=O)N(CCCOC)c2c1)c1cc(F)cc(F)c1
InChI Key InChIKey=KHZQOXQOUCGGGA-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 17980
Affinity DataIC50: 95nMpH: 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
Affinity DataIC50: 95nMpH: 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
Activity Spreadsheet -- ITC Data from BindingDB
Found 1 hit for monomerid = 17980
ITC DataΔG°: -8.76kcal/mole −TΔS°: -1.96kcal/mole ΔH°: -6.79kcal/mole logk: 2.34E+6
pH: 7.0 T: 28.00°C
pH: 7.0 T: 28.00°C