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

Data  3 IC50  1 Kd  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 4 hits for monomerid = 18041   

TargetRenin(Homo sapiens (Human))
Pfizer

LigandPNGBDBM18041(N-[2-({2-amino-6-ethyl-5-[4-(3-methoxypropyl)-2,2-...)
Affinity DataIC50:  27nMpH: 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

LigandPNGBDBM18041(N-[2-({2-amino-6-ethyl-5-[4-(3-methoxypropyl)-2,2-...)
Affinity DataIC50:  27nMAssay Description:Inhibition of human reninMore data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
Pfizer

LigandPNGBDBM18041(N-[2-({2-amino-6-ethyl-5-[4-(3-methoxypropyl)-2,2-...)
Affinity DataKd:  79nMAssay Description:Binding affinity to human recombinant renin by isothermal titration calorimetryMore data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
Pfizer

LigandPNGBDBM18041(N-[2-({2-amino-6-ethyl-5-[4-(3-methoxypropyl)-2,2-...)
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   

CellPNGBDBM18041(N-[2-({2-amino-6-ethyl-5-[4-(3-methoxypropyl)-2,2-...)
Pfizer

SyringeRenin(Homo sapiens (Human))
ITC DataΔG°: -9.76kcal/mole −TΔS°: -0.432kcal/mole ΔH°: -9.33kcal/mole logk: 1.27E+6
pH: 7.0 T: 28.00°C