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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 = 'BDBM50042404'   
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))
BDBM50042404
PNG
(CHEMBL116894 | [1-(1-Ethylaminooxalyl-butylcarbamo...)
Show SMILES CCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC
Show InChI InChI=1S/C22H33N3O5/c1-5-10-17(19(26)21(28)23-6-2)24-20(27)18(13-15(3)4)25-22(29)30-14-16-11-8-7-9-12-16/h7-9,11-12,15,17-18H,5-6,10,13-14H2,1-4H3,(H,23,28)(H,24,27)(H,25,29)
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PubMed
210n/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