BDBM18037 6-ethyl-2,4-diaminopyrimidine-based compound, 5::6-ethyl-5-[1-(3-methoxypropyl)-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine::diaminopyrimidine renin inhibitor compound, 2

SMILES CCc1nc(N)nc(N)c1-c1ccc2CCCN(CCCOC)c2c1

InChI Key InChIKey=AYPFLXLPOWWLSY-UHFFFAOYSA-N

Data  4 IC50  1 ITC

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 18037   

TargetRenin(Homo sapiens (Human))
Pfizer

LigandPNGBDBM18037(6-ethyl-2,4-diaminopyrimidine-based compound, 5 | ...)
Affinity DataIC50:  650nMpH: 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

LigandPNGBDBM18037(6-ethyl-2,4-diaminopyrimidine-based compound, 5 | ...)
Affinity DataIC50:  512nMAssay Description:Inhibition of recombinant human renin using 5-FAM/QXL 520 as substrate pretreated for 30 mins followed by substrate addition measured at 1 min interv...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRenin(Homo sapiens (Human))
Pfizer

LigandPNGBDBM18037(6-ethyl-2,4-diaminopyrimidine-based compound, 5 | ...)
Affinity DataIC50:  650nMAssay Description:Inhibition of human recombinant renin in bufferMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRenin(Homo sapiens (Human))
Pfizer

LigandPNGBDBM18037(6-ethyl-2,4-diaminopyrimidine-based compound, 5 | ...)
Affinity DataIC50:  691nMpH: 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

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 18037   

CellPNGBDBM18037(6-ethyl-2,4-diaminopyrimidine-based compound, 5 | ...)
Pfizer

SyringeRenin(Homo sapiens (Human))
ITC DataΔG°: -8.62kcal/mole −TΔS°: 5.86kcal/mole ΔH°: -14.5kcal/mole logk: 1.87E+6
pH: 7.0 T: 28.00°C