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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50485816'   
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))		BDBM50485816
PNG
(CHEMBL2165218)
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)OCc1nc2cc(Cl)ccc2[nH]1 |r|
Show InChI InChI=1S/C34H37ClFN7O7/c1-18(2)31(42-33(47)27-14-19(3)50-43-27)34(48)41-26(15-20-4-7-22(36)8-5-20)32(46)38-23(9-12-28(37)44)10-13-30(45)49-17-29-39-24-11-6-21(35)16-25(24)40-29/h4-8,10-11,13-14,16,18,23,26,31H,9,12,15,17H2,1-3H3,(H2,37,44)(H,38,46)(H,39,40)(H,41,48)(H,42,47)/b13-10+/t23-,26+,31+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 650n/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