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SMILES: CCN(CC)C(=O)N1C[C@H]([C@@H](N)[C@@H]1CNC(=O)C(F)(F)F)C(O)=O

InChI Key: InChIKey=HUKHSOIICWYLOA-HRDYMLBCSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50478611   
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
Neuraminidase


(Influenza A virus)		BDBM50478611
PNG
(CHEMBL459839)
Show SMILES CCN(CC)C(=O)N1C[C@H]([C@@H](N)[C@@H]1CNC(=O)C(F)(F)F)C(O)=O |r|
Show InChI InChI=1S/C13H21F3N4O4/c1-3-19(4-2)12(24)20-6-7(10(21)22)9(17)8(20)5-18-11(23)13(14,15)16/h7-9H,3-6,17H2,1-2H3,(H,18,23)(H,21,22)/t7-,8+,9-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+8n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase

Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair