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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with all data for assayid = 5 entry = 50035418   
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 catalytic subunit


(Homo sapiens (Human))
BDBM50140548
PNG
(3-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylam...)
Show SMILES COC(=O)CC(NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)CF
Show InChI InChI=1S/C19H25FN2O6/c1-12(2)17(22-19(26)28-11-13-7-5-4-6-8-13)18(25)21-14(15(23)10-20)9-16(24)27-3/h4-8,12,14,17H,9-11H2,1-3H3,(H,21,25)(H,22,26)/t14?,17-/m0/s1
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Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Maxim Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against the Calpain-1 enzyme


Bioorg Med Chem Lett 14: 1269-72 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.065
BindingDB Entry DOI: 10.7270/Q2V988NB
More data for this
Ligand-Target Pair