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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50501200'   
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
Genome polyprotein


(Coxsackievirus B3 (strain Nancy))
BDBM50501200
PNG
(CHEMBL3931321)
Show SMILES CC(C)(C)OC(=O)NC(Cc1ccc(O)cc1)C(=O)N\N=C\c1ccc(O)c(O)c1O
Show InChI InChI=1S/C21H25N3O7/c1-21(2,3)31-20(30)23-15(10-12-4-7-14(25)8-5-12)19(29)24-22-11-13-6-9-16(26)18(28)17(13)27/h4-9,11,15,25-28H,10H2,1-3H3,(H,23,30)(H,24,29)/b22-11+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 540n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...


Eur J Med Chem 120: 202-16 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.085
BindingDB Entry DOI: 10.7270/Q25B05HD
More data for this
Ligand-Target Pair