BDBM18039 6-ethyl-5-[9-(3-methoxypropyl)-9H-carbazol-2-yl]pyrimidine-2,4-diamine::diaminopyrimidine renin inhibitor compound, 4

SMILES CCc1nc(N)nc(N)c1-c1ccc2c(c1)n(CCCOC)c1ccccc21

InChI Key InChIKey=MLSVRCGEBXIIQO-UHFFFAOYSA-N

Data  1 IC50  1 ITC

PDB links: 1 PDB ID matches this monomer.

  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 1 hit for monomerid = 18039   

TargetRenin(Homo sapiens (Human))
Pfizer

LigandPNGBDBM18039(6-ethyl-5-[9-(3-methoxypropyl)-9H-carbazol-2-yl]py...)
Affinity DataIC50:  173nMpH: 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 = 18039   

CellPNGBDBM18039(6-ethyl-5-[9-(3-methoxypropyl)-9H-carbazol-2-yl]py...)
Pfizer

SyringeRenin(Homo sapiens (Human))
ITC DataΔG°: -9.47kcal/mole −TΔS°: 3.50kcal/mole ΔH°: -13.0kcal/mole logk: 7.89E+6
pH: 7.0 T: 28.00°C