BDBM17945 (2S,4S,5S)-5-amino-N-butyl-4-hydroxy-9-[(2S)-2-[(methoxymethoxy)methyl]-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-7,7-dimethyl-9-oxo-2-(propan-2-yl)nonanamide::Renin nonpeptide inhibitor, 5

SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1C[C@@H](COCOC)Oc2ccccc12)C(C)C

InChI Key InChIKey=QQNIINAKKJDPJB-UHFFFAOYSA-N

Data  2 IC50

  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 2 hits for monomerid = 17945   

TargetRenin(Human)
Novartis Pharmaceuticals

LigandPNGBDBM17945((2S,4S,5S)-5-amino-N-butyl-4-hydroxy-9-[(2S)-2-[(m...)
Affinity DataIC50: 0.100nMpH: 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
In Depth
Date in BDB:
9/19/2007
Entry Details Article
PubMed
TargetPepsin A(Pig)
Novartis Pharmaceuticals

LigandPNGBDBM17945((2S,4S,5S)-5-amino-N-butyl-4-hydroxy-9-[(2S)-2-[(m...)
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 Depth
Date in BDB:
9/19/2007
Entry Details Article
PubMed