BDBM18041 N-[2-({2-amino-6-ethyl-5-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]pyrimidin-4-yl}amino)ethyl]naphthalene-2-sulfonamide::diaminopyrimidine renin inhibitor compound, 11
SMILES CCc1nc(N)nc(NCCNS(=O)(=O)c2ccc3ccccc3c2)c1-c1ccc2OC(C)(C)C(=O)N(CCCOC)c2c1
InChI Key InChIKey=RRWBDAPAGFVYPT-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 4 hits for monomerid = 18041
Affinity DataIC50: 27nMpH: 7.4 T: 22°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
3D Structure (crystal)Affinity DataIC50: 27nMAssay Description:Inhibition of human reninMore data for this Ligand-Target Pair
Affinity DataKd: 79nMAssay Description:Binding affinity to human recombinant renin by isothermal titration calorimetryMore data for this Ligand-Target Pair
Affinity DataIC50: 27nMAssay Description:Inhibition of human recombinant renin in bufferMore data for this Ligand-Target Pair
Activity Spreadsheet -- ITC Data from BindingDB
Found 1 hit for monomerid = 18041
ITC DataΔG°: -9.76kcal/mole −TΔS°: -0.432kcal/mole ΔH°: -9.33kcal/mole logk: 1.27E+6
pH: 7.0 T: 28.00°C
pH: 7.0 T: 28.00°C