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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 = 'BDBM50042403'   
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))
BDBM50042403
PNG
(CHEMBL325223 | [3-Methyl-1-(1-octylaminooxalyl-pro...)
Show SMILES CCCCCCCCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H43N3O5/c1-5-7-8-9-10-14-17-28-26(33)24(31)22(6-2)29-25(32)23(18-20(3)4)30-27(34)35-19-21-15-12-11-13-16-21/h11-13,15-16,20,22-23H,5-10,14,17-19H2,1-4H3,(H,28,33)(H,29,32)(H,30,34)
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PC cid
PC sid
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PubMed
320n/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