BDBM18038 6-ethyl-5-[1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine::diaminopyrimidine renin inhibitor compound, 3

SMILES CCc1nc(N)nc(N)c1-c1ccc2CCC(N(CCCOC)c2c1)c1ccccc1

InChI Key InChIKey=UOYVKYJWAXJTTE-UHFFFAOYSA-N

Data  2 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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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 18038   

TargetRenin(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM18038(6-ethyl-5-[1-(3-methoxypropyl)-2-phenyl-1,2,3,4-te...)
Affinity DataIC50:  58nMAssay Description:Inhibition of renin (unknown origin)More data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM18038(6-ethyl-5-[1-(3-methoxypropyl)-2-phenyl-1,2,3,4-te...)
Affinity DataIC50:  58nMpH: 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 = 18038   

CellPNGBDBM18038(6-ethyl-5-[1-(3-methoxypropyl)-2-phenyl-1,2,3,4-te...)
Pfizer

SyringeRenin(Homo sapiens (Human))
ITC DataΔG°: -9.75kcal/mole −TΔS°: 0.230kcal/mole ΔH°: -9.98kcal/mole logk: 1.26E+7
pH: 7.0 T: 28.00°C