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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 = 'BDBM50042399'   
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))
BDBM50042399
PNG
(CHEMBL116429 | [1-(1-Heptylaminooxalyl-propylcarba...)
Show SMILES CCCCCCCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C26H41N3O5/c1-5-7-8-9-13-16-27-25(32)23(30)21(6-2)28-24(31)22(17-19(3)4)29-26(33)34-18-20-14-11-10-12-15-20/h10-12,14-15,19,21-22H,5-9,13,16-18H2,1-4H3,(H,27,32)(H,28,31)(H,29,33)
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PC sid
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PubMed
96n/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