BDBM17946 (2S,4S,7R)-4-amino-7-(butylcarbamoyl)-5-hydroxy-2,7-dimethylheptyl 1-benzyl-1H-indole-3-carboxylate::Renin nonpeptide inhibitor, 6

SMILES CCCCNC(=O)[C@H](C)CC(O)[C@@H](N)C[C@H](C)COC(=O)c1cn(Cc2ccccc2)c2ccccc12

InChI Key InChIKey=XZLFXZZCYRJLTI-RFIFNAJASA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 17946   

TargetRenin(Homo sapiens (Human))
Novartis Pharmaceuticals

LigandPNGBDBM17946((2S,4S,7R)-4-amino-7-(butylcarbamoyl)-5-hydroxy-2,...)
Affinity DataIC50:  3nMpH: 7.2 T: 2°CAssay Description:In vitro potencies of compounds against purified human recombinant renin were determined by its cleavage of substrate angiotensinogen. The angiotensi...More data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
Novartis Pharmaceuticals

LigandPNGBDBM17946((2S,4S,7R)-4-amino-7-(butylcarbamoyl)-5-hydroxy-2,...)
Affinity DataIC50:  3nMAssay Description:Inhibition of human reninMore data for this Ligand-Target Pair
TargetPepsin A(Porcine)
Novartis Pharmaceuticals

LigandPNGBDBM17946((2S,4S,7R)-4-amino-7-(butylcarbamoyl)-5-hydroxy-2,...)
Affinity DataIC50: >1.00E+5nMpH: 2.0 T: 2°CAssay Description:In vitro potencies of compounds against purified porcine pepsin were determined by its cleavage of substrate hemoglobin. After incubation, proteins w...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed