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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-1 catalytic subunit' and Ligand = 'BDBM50092298'   
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))
BDBM50092298
PNG
(1-(Naphthalene-2-sulfonyl)-piperidine-4-carboxylic...)
Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H27N3O5S/c27-25(31)24(30)23(16-18-6-2-1-3-7-18)28-26(32)20-12-14-29(15-13-20)35(33,34)22-11-10-19-8-4-5-9-21(19)17-22/h1-11,17,20,23H,12-16H2,(H2,27,31)(H,28,32)
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MMDB

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PubMed
450n/an/an/an/an/an/an/an/a



KNOLL AG

Curated by ChEMBL


Assay Description
Inhibition of Suc-Leu-Tyr-AMC binding to human mu-calpain from erythrocytes


Bioorg Med Chem Lett 10: 2187-91 (2001)


BindingDB Entry DOI: 10.7270/Q28K78BD
More data for this
Ligand-Target Pair