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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50501163'   
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))		BDBM50501163
PNG
(CHEMBL3979141)
Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NNCc1ccc(O)c(O)c1O |r|
Show InChI InChI=1S/C26H30FN5O7/c1-13(2)21(30-24(36)19-10-14(3)39-32-19)26(38)29-18(11-15-4-7-17(27)8-5-15)25(37)31-28-12-16-6-9-20(33)23(35)22(16)34/h4-10,13,18,21,28,33-35H,11-12H2,1-3H3,(H,29,38)(H,30,36)(H,31,37)/t18-,21-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 230n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...

Eur J Med Chem 120: 202-16 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.085
BindingDB Entry DOI: 10.7270/Q25B05HD
More data for this
Ligand-Target Pair