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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50501178'   
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))
BDBM50501178
PNG
(CHEMBL3963346)
Show SMILES Oc1ccc(\C=N\NC(=O)CCCc2ccc(F)cc2)c(O)c1O
Show InChI InChI=1S/C17H17FN2O4/c18-13-7-4-11(5-8-13)2-1-3-15(22)20-19-10-12-6-9-14(21)17(24)16(12)23/h4-10,21,23-24H,1-3H2,(H,20,22)/b19-10+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 640n/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