BDBM50139111 (4R,6S,7S)-7-[(S)-3-Carboxy-3-(3-methyl-butyrylamino)-propionylamino]-6-hydroxy-4-isobutylcarbamoyl-8-phenyl-octanoic acid::CHEMBL157575

SMILES CC(C)CNC(=O)[C@H](CCC(O)=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@H](NC(=O)CC(C)C)C(O)=O

InChI Key InChIKey=XXRGSFKBMOSNFU-UHFFFAOYSA-N

Data  3 KI

  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 3 hits for monomerid = 50139111   

TargetBeta-secretase 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50139111((4R,6S,7S)-7-[(S)-3-Carboxy-3-(3-methyl-butyrylami...)
Affinity DataKi:  1.70E+3nMAssay Description:Tested for inhibition of Beta-secretase 1 (BACE 1) expressed in insect cell using baculovirusMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetRenin(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50139111((4R,6S,7S)-7-[(S)-3-Carboxy-3-(3-methyl-butyrylami...)
Affinity DataKi:  7.36E+4nMAssay Description:Compound was tested for inhibition of human reninMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCathepsin D(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50139111((4R,6S,7S)-7-[(S)-3-Carboxy-3-(3-methyl-butyrylami...)
Affinity DataKi:  7.97E+4nMAssay Description:Compound was tested for inhibition of cathepsin DMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed