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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-1' and Ligand = 'BDBM50326298'   
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))
BDBM50326298
PNG
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...)
Show SMILES COc1nc(N)c2ncn(CCCNC(=O)C(=O)C(Cc3ccccc3)NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3)c2n1 |r|
Show InChI InChI=1S/C33H40N8O6/c1-21(2)17-25(38-33(45)47-19-23-13-8-5-9-14-23)30(43)37-24(18-22-11-6-4-7-12-22)27(42)31(44)35-15-10-16-41-20-36-26-28(34)39-32(46-3)40-29(26)41/h4-9,11-14,20-21,24-25H,10,15-19H2,1-3H3,(H,35,44)(H,37,43)(H,38,45)(H2,34,39,40)/t24?,25-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
41n/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