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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50485817'   
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))		BDBM50485817
PNG
(CHEMBL2164929)
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)OCc1cn2c(C)cccc2n1 |r|
Show InChI InChI=1S/C35H40FN7O7/c1-20(2)32(41-34(47)28-16-22(4)50-42-28)35(48)40-27(17-23-8-10-24(36)11-9-23)33(46)39-25(12-14-29(37)44)13-15-31(45)49-19-26-18-43-21(3)6-5-7-30(43)38-26/h5-11,13,15-16,18,20,25,27,32H,12,14,17,19H2,1-4H3,(H2,37,44)(H,39,46)(H,40,48)(H,41,47)/b15-13+/t25-,27+,32+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 160n/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