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Compile Data Set for Download or QSAR

Found 1 hit of ic50 data for polymerid = 5179   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))
BDBM50436488
PNG
(CHEMBL2397338)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2cn(CCCNC(=O)CC[C@H](NC1=O)C=O)nn2)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H37N7O6/c1-18(2)13-22-25(37)29-20(16-35)9-10-24(36)28-11-6-12-34-15-21(32-33-34)14-23(26(38)30-22)31-27(39)40-17-19-7-4-3-5-8-19/h3-5,7-8,15-16,18,20,22-23H,6,9-14,17H2,1-2H3,(H,28,36)(H,29,37)(H,30,38)(H,31,39)/t20-,22-,23-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Wichita State University

Curated by ChEMBL


Assay Description
Inhibition of Coxsackievirus B3 Nancy 3Cpro


Bioorg Med Chem Lett 23: 3709-12 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.021
BindingDB Entry DOI: 10.7270/Q22Z16XV
More data for this
Ligand-Target Pair