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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50485809'   
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))		BDBM50485809
PNG
(CHEMBL2164936)
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)OCc1cccc2ncccc12 |r|
Show InChI InChI=1S/C36H39FN6O7/c1-21(2)33(42-35(47)30-18-22(3)50-43-30)36(48)41-29(19-23-9-11-25(37)12-10-23)34(46)40-26(13-15-31(38)44)14-16-32(45)49-20-24-6-4-8-28-27(24)7-5-17-39-28/h4-12,14,16-18,21,26,29,33H,13,15,19-20H2,1-3H3,(H2,38,44)(H,40,46)(H,41,48)(H,42,47)/b16-14+/t26-,29+,33+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 280n/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