BDBM50274103 5-{(S)-2-[(3S,4S)-5-Benzyloxy-4-(3-dipropylcarbamoylbenzoylamino)-3-hydroxy-pentanoylamino]-3-methyl-butyrylamino}-isophthalic acid::CHEMBL447880

SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](COCc1ccccc1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O

InChI Key InChIKey=JKLSCCHJYLRBOA-UHFFFAOYSA-N

Data  1 KI  1 IC50

  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 2 hits for monomerid = 50274103   

TargetBeta-secretase 1(Human)
LinköPing University

Curated by ChEMBL
LigandPNGBDBM50274103(5-{(S)-2-[(3S,4S)-5-Benzyloxy-4-(3-dipropylcarbamo...)
Affinity DataIC50: 1.89E+3nMAssay Description:Inhibition of human BACE1 expressed in Escherichia coli BL21(DE3) by resolved fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCathepsin D(Human)
LinköPing University

Curated by ChEMBL
LigandPNGBDBM50274103(5-{(S)-2-[(3S,4S)-5-Benzyloxy-4-(3-dipropylcarbamo...)
Affinity DataKi:  350nMAssay Description:Inhibition of human cathepsin DMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed