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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-1' and Ligand = 'BDBM50326299'   
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


(Sus scrofa (pig))
BDBM50326299
PNG
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-...)
Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O |r|
Show InChI InChI=1S/C26H36N6O6/c1-4-19(22(33)24(35)28-12-8-13-32-14-11-21(27)31-25(32)36)29-23(34)20(15-17(2)3)30-26(37)38-16-18-9-6-5-7-10-18/h5-7,9-11,14,17,19-20H,4,8,12-13,15-16H2,1-3H3,(H,28,35)(H,29,34)(H,30,37)(H2,27,31,36)/t19?,20-/m0/s1
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
165n/an/an/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of porcine erythrocyte calpain 1


J Med Chem 53: 6326-36 (2010)


Article DOI: 10.1021/jm901221v
More data for this
Ligand-Target Pair