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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM50295347'   
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 (strain A/Memphis/1/1971 H3N2))
BDBM50295347
PNG
((R,R,2S,2'S,4S,4'S,5R,5'R,6R,6'R)-2,2'-(14-(3-(3-(...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@](O[C@H]1[C@H](O)[C@H](O)CO)(SCCCCCSCCCOCCC[Si](CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCOCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C72H125N3O27S6Si/c1-48(79)73-58-52(82)42-70(67(91)92,100-64(58)61(88)55(85)45-76)106-36-13-5-10-30-103-33-16-24-97-27-19-39-109(51-22-8-4-9-23-51,40-20-28-98-25-17-34-104-31-11-6-14-37-107-71(68(93)94)43-53(83)59(74-49(2)80)65(101-71)62(89)56(86)46-77)41-21-29-99-26-18-35-105-32-12-7-15-38-108-72(69(95)96)44-54(84)60(75-50(3)81)66(102-72)63(90)57(87)47-78/h4,8-9,22-23,52-66,76-78,82-90H,5-7,10-21,24-47H2,1-3H3,(H,73,79)(H,74,80)(H,75,81)(H,91,92)(H,93,94)(H,95,96)/t52-,53-,54-,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,70-,71-,72-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+6n/an/an/an/an/an/a



Saitama University

Curated by ChEMBL


Assay Description
Inhibition of human influenza A/Memphis/1/71(H3N2) sialidase by fluorescence spectrophotometry


Bioorg Med Chem 17: 5451-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.036
BindingDB Entry DOI: 10.7270/Q26973MJ
More data for this
Ligand-Target Pair