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PubMed code 11551769

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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))
BDBM50104647
PNG
((3S,6S)-3,6-Bis-(4-hydroxy-benzyl)-1,4-dimethyl-pi...)
Show SMILES CN1[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C1=O
Show InChI InChI=1S/C20H22N2O4/c1-21-17(11-13-3-7-15(23)8-4-13)20(26)22(2)18(19(21)25)12-14-5-9-16(24)10-6-14/h3-10,17-18,23-24H,11-12H2,1-2H3/t17-,18-/m0/s1
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PC cid
PC sid
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Similars

PubMed
n/an/a 800n/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against calpain isolated from Streptomyces griseus (SC488)


Bioorg Med Chem Lett 11: 2647-9 (2001)


BindingDB Entry DOI: 10.7270/Q28K78CV
More data for this
Ligand-Target Pair
Calpain-1 catalytic subunit


(Homo sapiens (Human))
BDBM50104646
PNG
(6-Benzyl-3-isopropyl-1H-pyrazin-2-one | CHEMBL4194...)
Show SMILES CC(C)c1ncc(Cc2ccccc2)[nH]c1=O
Show InChI InChI=1S/C14H16N2O/c1-10(2)13-14(17)16-12(9-15-13)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,16,17)
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MMDB

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CHEMBL
MCE
PC cid
PC sid
UniChem
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against calpain isolated from Streptomyces species


Bioorg Med Chem Lett 11: 2647-9 (2001)


BindingDB Entry DOI: 10.7270/Q28K78CV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%