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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-1' and Ligand = 'BDBM23861'   
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))
BDBM23861
PNG
(3-[(2S)-2-(1,1-diphenylacetamido)-4-methylpentanam...)
Show SMILES CC(C)C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(O)=O |r|
Show InChI InChI=1S/C30H32N2O5/c1-20(2)18-25(28(34)31-24(27(33)30(36)37)19-21-12-6-3-7-13-21)32-29(35)26(22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20,24-26H,18-19H2,1-2H3,(H,31,34)(H,32,35)(H,36,37)/t24?,25-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
108 -39.4n/an/an/an/an/a7.422



University of Tennessee Health Science Center



Assay Description
Assays were initiated by addition of CaCl2, and the increase in fluorescence (ex @370 nm, em @440 nm) was monitored. MDL28170 and buffer with 2% DMSO...


J Med Chem 51: 4346-50 (2008)


Article DOI: 10.1021/jm800182c
More data for this
Ligand-Target Pair