BDBM17988 1,4-benzoxazin-3-one, 25::6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one::diaminopyrimidine renin inhibitor compound, 7

SMILES CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C(=O)N(CCCOC)c2c1)c1cc(F)cc(F)c1

InChI Key InChIKey=UAXNNGUDPWZOKX-UHFFFAOYSA-N

Data  2 IC50  1 ITC

PDB links: 1 PDB ID matches this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 17988   

TargetRenin(Homo sapiens (Human))
Pfizer

LigandPNGBDBM17988(1,4-benzoxazin-3-one, 25 | 6-(2,4-diamino-6-ethylp...)
Affinity DataIC50:  7.10nMpH: 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
TargetRenin(Homo sapiens (Human))
Pfizer

LigandPNGBDBM17988(1,4-benzoxazin-3-one, 25 | 6-(2,4-diamino-6-ethylp...)
Affinity DataIC50:  7nMpH: 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 = 17988   

CellPNGBDBM17988(1,4-benzoxazin-3-one, 25 | 6-(2,4-diamino-6-ethylp...)
Pfizer

SyringeRenin(Homo sapiens (Human))
ITC DataΔG°: -9.25kcal/mole −TΔS°: -0.367kcal/mole ΔH°: -8.89kcal/mole logk: 5.39E+6
pH: 7.0 T: 28.00°C