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BDBM50295346 (R,R,2S,2'S,4S,4'S,5R,5'R,6R,6'R)-2,2'-(17-(3-(6-(5-((2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-ylthio)pentylthio)hexanamido)propyl)-12,22-dioxo-17-phenyl-6,28-dithia-13,21-diaza-17-silatritriacontane-1,33-diyl)bis(sulfanediyl)bis(5-acetamido-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid)::CHEMBL552651

SMILES: CC(=O)N[C@@H]1[C@@H](O)C[C@](O[C@H]1[C@H](O)[C@H](O)CO)(SCCCCCSCCCCCC(=O)NCCC[Si](CCCNC(=O)CCCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCNC(=O)CCCCCSCCCCCS[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

InChI Key: InChIKey=FHVPJUXQGVGFJJ-HSERBLTDSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50295346   
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 (strain A/Memphis/1/1971 H3N2))
BDBM50295346
PNG
((R,R,2S,2'S,4S,4'S,5R,5'R,6R,6'R)-2,2'-(17-(3-(6-(...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@](O[C@H]1[C@H](O)[C@H](O)CO)(SCCCCCSCCCCCC(=O)NCCC[Si](CCCNC(=O)CCCCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCNC(=O)CCCCCSCCCCCS[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/C81H140N6O27S6Si/c1-54(91)85-67-58(94)48-79(76(106)107,112-73(67)70(103)61(97)51-88)118-42-22-8-19-39-115-36-16-5-13-30-64(100)82-33-25-45-121(57-28-11-4-12-29-57,46-26-34-83-65(101)31-14-6-17-37-116-40-20-9-23-43-119-80(77(108)109)49-59(95)68(86-55(2)92)74(113-80)71(104)62(98)52-89)47-27-35-84-66(102)32-15-7-18-38-117-41-21-10-24-44-120-81(78(110)111)50-60(96)69(87-56(3)93)75(114-81)72(105)63(99)53-90/h4,11-12,28-29,58-63,67-75,88-90,94-99,103-105H,5-10,13-27,30-53H2,1-3H3,(H,82,100)(H,83,101)(H,84,102)(H,85,91)(H,86,92)(H,87,93)(H,106,107)(H,108,109)(H,110,111)/t58-,59-,60-,61+,62+,63+,67+,68+,69+,70+,71+,72+,73+,74+,75+,79-,80-,81-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.10E+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