BDBM50398474 CHEMBL2179136

SMILES CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@H](CN[C@@H]([C@H](C)O)C(=O)NCC(C)C)Cc1ccccc1

InChI Key InChIKey=PQSORGYMZCKRDU-UHFFFAOYSA-N

Data  2 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 3 hits for monomerid = 50398474   

TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50398474(CHEMBL2179136)
Affinity DataKi:  7.30nMAssay Description:Inhibition of recombinant BACE1 expressed in Escherichia coli using Arg- Glu(EDANS)-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Lys(Dabcyl)-Arg as substrate by f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50398474(CHEMBL2179136)
Affinity DataIC50: 22nMAssay Description:Inhibition of BACE1 in human neuroblastoma cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCathepsin D(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50398474(CHEMBL2179136)
Affinity DataKi:  7.10E+3nMAssay Description:Inhibition of human cathepsin DMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed