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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50485808'   
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))		BDBM50485808
PNG
(CHEMBL2164937)
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)OCc1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C34H38FN7O7/c1-19(2)31(41-33(46)27-16-20(3)49-42-27)34(47)40-26(17-21-8-10-22(35)11-9-21)32(45)37-23(12-14-28(36)43)13-15-30(44)48-18-29-38-24-6-4-5-7-25(24)39-29/h4-11,13,15-16,19,23,26,31H,12,14,17-18H2,1-3H3,(H2,36,43)(H,37,45)(H,38,39)(H,40,47)(H,41,46)/b15-13+/t23-,26+,31+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 240n/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