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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 = 'BDBM50042396'   
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))
BDBM50042396
PNG
(CHEMBL441280 | [1-(1-Benzyl-2-isobutylcarbamoyl-2-...)
Show SMILES CC(C)CNC(=O)C(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C28H37N3O5/c1-19(2)15-24(31-28(35)36-18-22-13-9-6-10-14-22)26(33)30-23(16-21-11-7-5-8-12-21)25(32)27(34)29-17-20(3)4/h5-14,19-20,23-24H,15-18H2,1-4H3,(H,29,34)(H,30,33)(H,31,35)
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PC cid
PC sid
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PubMed
80n/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