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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain1/2' and Ligand = 'BDBM50406631'   
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
Calpain1/2


(Homo sapiens (Human))
BDBM50406631
PNG
(CHEMBL62988)
Show SMILES CCCCC(COC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C35H56N4O8/c1-8-9-15-26(37-32(41)28(19-24(6)7)39-35(44)46-20-25-13-11-10-12-14-25)21-45-34(43)30-29(47-30)33(42)38-27(18-23(4)5)31(40)36-17-16-22(2)3/h10-14,22-24,26-30H,8-9,15-21H2,1-7H3,(H,36,40)(H,37,41)(H,38,42)(H,39,44)/t26?,27-,28-,29-,30-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



State University of New York Health Science Center

Curated by ChEMBL


Assay Description
The ability of compound to inhibit calpain in a preparation of lysed platelets was measured with a caseinolytic assay(assay 1)


J Med Chem 35: 2048-54 (1992)


Article DOI: 10.1021/jm00089a015
BindingDB Entry DOI: 10.7270/Q27M094H
More data for this
Ligand-Target Pair