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SMILES: CC(C)NC(=O)O[C@@H](C#N)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(C)on1

InChI Key: InChIKey=NSGVTCSNDKPNDY-ROQCDXFCSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50465881   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Genome polyprotein


(Enterovirus A71)		BDBM50465881
PNG
(CHEMBL4292785)
Show SMILES CC(C)NC(=O)O[C@@H](C#N)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(C)on1 |r|
Show InChI InChI=1S/C27H33FN6O6/c1-15(2)31-27(38)39-23(14-29)20(13-18-5-4-10-30-24(18)35)32-25(36)21(12-17-6-8-19(28)9-7-17)33-26(37)22-11-16(3)40-34-22/h6-9,11,15,18,20-21,23H,4-5,10,12-13H2,1-3H3,(H,30,35)(H,31,38)(H,32,36)(H,33,37)/t18-,20-,21-,23-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 36n/an/an/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibition of EV71 3C protease expressed in Escherichia coli BL21(DE3) using NMA-IEALFQGPPK(DNP)FR as substrate preincubated for 0.5 hrs followed by ...

J Med Chem 61: 10333-10339 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01335
BindingDB Entry DOI: 10.7270/Q2N58Q1D
More data for this
Ligand-Target Pair