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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-1' and Ligand = 'BDBM50244952'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calpain-1


(Sus scrofa (pig))
BDBM50244952
PNG
((S)-2-ethyl-N-(1-oxo-3-phenylpropan-2-yl)-2-(3-phe...)
Show SMILES CCC(CC)(NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O |r|
Show InChI InChI=1S/C24H30N2O3/c1-3-24(4-2,26-22(28)16-15-19-11-7-5-8-12-19)23(29)25-21(18-27)17-20-13-9-6-10-14-20/h5-14,18,21H,3-4,15-17H2,1-2H3,(H,25,29)(H,26,28)/t21-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
80n/an/an/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of pig erythrocyte mu-calpain


Bioorg Med Chem Lett 18: 4806-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.094
More data for this
Ligand-Target Pair