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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM50295345'   
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))
BDBM50295345
PNG
((R,R,2S,2'S,4S,4'S,5R,5'R,6R,6'R)-2,2'-(14,14-bis(...)
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)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)C(O)=O |r|
Show InChI InChI=1S/C88H160N4O36S8Si/c1-57(97)89-69-61(101)49-85(81(113)114,125-77(69)73(109)65(105)53-93)133-41-13-5-9-33-129-37-17-25-121-29-21-45-137(46-22-30-122-26-18-38-130-34-10-6-14-42-134-86(82(115)116)50-62(102)70(90-58(2)98)78(126-86)74(110)66(106)54-94,47-23-31-123-27-19-39-131-35-11-7-15-43-135-87(83(117)118)51-63(103)71(91-59(3)99)79(127-87)75(111)67(107)55-95)48-24-32-124-28-20-40-132-36-12-8-16-44-136-88(84(119)120)52-64(104)72(92-60(4)100)80(128-88)76(112)68(108)56-96/h61-80,93-96,101-112H,5-56H2,1-4H3,(H,89,97)(H,90,98)(H,91,99)(H,92,100)(H,113,114)(H,115,116)(H,117,118)(H,119,120)/t61-,62-,63-,64-,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,85-,86-,87-,88-/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