BDBM50231932 CHEMBL253930::N1-((2S,3R)-3-hydroxy-4-((1-(methylsulfonyl)-1H-indol-6-yl)methylamino)-1-phenylbutan-2-yl)-5-(N-methylmethan-3-ylsulfonamido)-N3-((R)-1-phenylethyl)isophthalamide

SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccc2ccn(c2c1)S(C)(=O)=O)N(C)S(C)(=O)=O)c1ccccc1

InChI Key InChIKey=IVOWVXLKWZXELP-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 = 50231932   

TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50231932(N1-((2S,3R)-3-hydroxy-4-((1-(methylsulfonyl)-1H-in...)
Affinity DataKi:  27nMAssay Description:Binding affinity to recombinant memapsin 2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/11/2009
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50231932(N1-((2S,3R)-3-hydroxy-4-((1-(methylsulfonyl)-1H-in...)
Affinity DataIC50: 200nMAssay Description:Inhibition of memapsin 2 expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/11/2009
Entry Details Article
PubMed