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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 = 'BDBM50042405'   
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))
BDBM50042405
PNG
(CHEMBL331322 | [3-Methyl-1-(1-nonylaminooxalyl-pro...)
Show SMILES CCCCCCCCCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C28H45N3O5/c1-5-7-8-9-10-11-15-18-29-27(34)25(32)23(6-2)30-26(33)24(19-21(3)4)31-28(35)36-20-22-16-13-12-14-17-22/h12-14,16-17,21,23-24H,5-11,15,18-20H2,1-4H3,(H,29,34)(H,30,33)(H,31,35)
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120n/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