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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 = 'BDBM50286454'   
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))
BDBM50286454
PNG
(CHEMBL129657 | [(S)-1-((S)-1-Formyl-2-naphthalen-1...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C=O
Show InChI InChI=1S/C26H28N2O4/c1-18(2)24(28-26(31)32-17-19-9-4-3-5-10-19)25(30)27-22(16-29)15-21-13-8-12-20-11-6-7-14-23(20)21/h3-14,16,18,22,24H,15,17H2,1-2H3,(H,27,30)(H,28,31)/t22-,24-/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