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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain 1/small subunit 1' and Ligand = 'BDBM50286455'   
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/small subunit 1


(Homo sapiens (Human))
BDBM50286455
PNG
(CHEMBL128775 | [(S)-1-((S)-1-Benzyl-2-oxo-ethylcar...)
Show SMILES CC(C)(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C24H30N2O4/c1-24(2,3)15-21(26-23(29)30-17-19-12-8-5-9-13-19)22(28)25-20(16-27)14-18-10-6-4-7-11-18/h4-13,16,20-21H,14-15,17H2,1-3H3,(H,25,28)(H,26,29)/t20-,21-/m0/s1
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Article
n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay


Bioorg Med Chem Lett 5: 393-398 (1995)


Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1
More data for this
Ligand-Target Pair