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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50485812'   
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))
BDBM50485812
PNG
(CHEMBL2164931)
Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(N)=O)\C=C\C(=O)OCc1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C37H40FN5O7/c1-22(2)34(42-36(47)31-18-23(3)50-43-31)37(48)41-30(20-24-9-12-28(38)13-10-24)35(46)40-29(14-16-32(39)44)15-17-33(45)49-21-25-8-11-26-6-4-5-7-27(26)19-25/h4-13,15,17-19,22,29-30,34H,14,16,20-21H2,1-3H3,(H2,39,44)(H,40,46)(H,41,48)(H,42,47)/b17-15+/t29-,30+,34+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 410n/an/an/an/an/an/a



Gwangju Institute of School of Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of Coxsackievirus B3 protease 3c using NMA-EALFQGPPVK-DNP as substrate incubated for 5 mins prior to substrate addition measured after 1 h...


Bioorg Med Chem Lett 22: 6952-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.120
BindingDB Entry DOI: 10.7270/Q2MS3WM3
More data for this
Ligand-Target Pair