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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 = 'BDBM50179753'   
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))
BDBM50179753
PNG
((S)-4-Methyl-2-{(S)-2-[2-(10H-phenothiazin-2-yloxy...)
Show SMILES CCC[C@H](NC(=O)COc1ccc2Sc3ccccc3Nc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C29H38N4O6S/c1-4-7-20(27(35)33-23(14-17(2)3)28(36)32-21-12-13-38-29(21)37)31-26(34)16-39-18-10-11-25-22(15-18)30-19-8-5-6-9-24(19)40-25/h5-6,8-11,15,17,20-21,23,29-30,37H,4,7,12-14,16H2,1-3H3,(H,31,34)(H,32,36)(H,33,35)/t20-,21-,23-,29?/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 151n/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