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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM50220001'   
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
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM50220001
PNG
(CHEMBL301211)
Show SMILES [#8]-[#6](=O)C(F)(F)F.[H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@H](-[#8]-[#6]-[#6]-[#6])-[#6@H](-[#8])-[#6]-[#8] |c:9|
Show InChI InChI=1S/C15H26N4O7/c1-3-4-25-12(9(22)6-20)13-11(18-7(2)21)8(19-15(16)17)5-10(26-13)14(23)24/h5,8-9,11-13,20,22H,3-4,6H2,1-2H3,(H,18,21)(H,23,24)(H4,16,17,19)/t8-,9+,11+,12+,13+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 62.7n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of influenza A sialidase in vitro.


Bioorg Med Chem Lett 12: 1925-8 (2002)


BindingDB Entry DOI: 10.7270/Q2RB76SB
More data for this
Ligand-Target Pair