BDBM18040 4-amino-N-{2-[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]phenyl}-3-methoxybenzamide::diaminopyrimidine renin inhibitor compound, 9

SMILES CCc1nc(N)nc(NCCc2ccccc2NC(=O)c2ccc(N)c(OC)c2)c1-c1ccc2OC(C)(C)C(=O)N(CCCOC)c2c1

InChI Key InChIKey=SQXBOADNRXSHPF-UHFFFAOYSA-N

Data  2 IC50  1 Kd  1 ITC

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 18040   

TargetRenin(Homo sapiens (Human))
Pfizer

LigandPNGBDBM18040(4-amino-N-{2-[2-({2-amino-6-ethyl-5-[4-(3-methoxyp...)
Affinity DataIC50:  336nMpH: 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 DepthDetails ArticlePubMed
TargetRenin(Homo sapiens (Human))
Pfizer

LigandPNGBDBM18040(4-amino-N-{2-[2-({2-amino-6-ethyl-5-[4-(3-methoxyp...)
Affinity DataKd:  270nMAssay Description:Binding affinity to human recombinant renin by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRenin(Homo sapiens (Human))
Pfizer

LigandPNGBDBM18040(4-amino-N-{2-[2-({2-amino-6-ethyl-5-[4-(3-methoxyp...)
Affinity DataIC50:  340nMAssay Description:Inhibition of human recombinant renin in bufferMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 18040   

CellPNGBDBM18040(4-amino-N-{2-[2-({2-amino-6-ethyl-5-[4-(3-methoxyp...)
Pfizer

SyringeRenin(Homo sapiens (Human))
ITC DataΔG°: -9.03kcal/mole −TΔS°: -6.93kcal/mole ΔH°: -2.10kcal/mole logk: 3.68E+6
pH: 7.0 T: 28.00°C