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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain 1/small subunit 1' and Ligand = 'BDBM50179740'   
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/small subunit 1


(Homo sapiens (Human))
BDBM50179740
PNG
((S)-2-((S)-2-(2-(10H-phenothiazin-2-yloxy)acetamid...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)COc1ccc2Sc3ccccc3Nc2c1)c1ccccc1)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C32H36N4O6S/c1-19(2)16-25(30(38)34-23-14-15-41-32(23)40)35-31(39)29(20-8-4-3-5-9-20)36-28(37)18-42-21-12-13-27-24(17-21)33-22-10-6-7-11-26(22)43-27/h3-13,17,19,23,25,29,32-33,40H,14-16,18H2,1-2H3,(H,34,38)(H,35,39)(H,36,37)/t23-,25-,29-,32?/m0/s1
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PC cid
PC sid
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Article
PubMed
n/an/a 222n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibition of isolated human calpain1


Bioorg Med Chem Lett 16: 1586-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.036
BindingDB Entry DOI: 10.7270/Q2T15367
More data for this
Ligand-Target Pair