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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 = 'BDBM50042425'   
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))
BDBM50042425
PNG
(CHEMBL326290 | {1-[1-(2,2-Diphenyl-ethylaminooxaly...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H39N3O5/c1-4-28(35-31(38)29(20-23(2)3)36-33(40)41-22-24-14-8-5-9-15-24)30(37)32(39)34-21-27(25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,23,27-29H,4,20-22H2,1-3H3,(H,34,39)(H,35,38)(H,36,40)
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160n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of alpha-keto esters towards calpain 1 at pH 8.0.


J Med Chem 36: 3472-80 (1993)

More data for this
Ligand-Target Pair