BDBM50437949 CHEMBL2408918::US9403843, 34

SMILES OC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](Cc1cscn1)C(=O)Nc1nc(cs1)-c1ccc(cc1)C#C

InChI Key InChIKey=CWDYRRXGDIFOAF-UHFFFAOYSA-N

Data  3 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 4 hits for monomerid = 50437949   

TargetCalpain-1 catalytic subunit(Human)
Columbia University

US Patent
LigandPNGBDBM50437949(CHEMBL2408918 | US9403843, 34)
Affinity DataIC50: 100nMpH: 7.4Assay Description:The Calbiochem InnoZyme activity kit was used for measuring the inhibition effect inhibitors on human erythrocyte calpain 1 activity. A calpain FRET ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/31/2017
Entry Details
US Patent

TargetCalpain-1 catalytic subunit(Pig)
Columbia University

US Patent
LigandPNGBDBM50437949(CHEMBL2408918 | US9403843, 34)
Affinity DataKi:  3.50E+3nM ΔG°:  -7.56kcal/molepH: 7.6 T: 2°CAssay Description:Full length porcine calpain (156 nM), or papain (236 pM) was added to a solution of 100 mM NaCl, 50 mM HEPES, pH 7.6, 1 mM TCEP, 30 μM Suc-LLVY-AM...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/31/2017
Entry Details
US Patent

TargetCalpain-1 catalytic subunit(Pig)
Columbia University

US Patent
LigandPNGBDBM50437949(CHEMBL2408918 | US9403843, 34)
Affinity DataKi:  3.53E+3nMAssay Description:Inhibition of pig full length Cal1 after using SucLLVYAMC as substrate by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetPapain(Papaya)
University of Illinois College of Pharmacy

Curated by ChEMBL
LigandPNGBDBM50437949(CHEMBL2408918 | US9403843, 34)
Affinity DataKi:  9.70E+3nMAssay Description:Inhibition of papain after using SucLLVYAMC as substrate by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed