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BDBM50295343 (R,R,2S,2'S,4S,4'S,5R,5'R,6R,6'R)-2,2'-(14-(21-((2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-ylthio)-8,8-bis(3-(3-(5-((2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-ylthio)pentylthio)propoxy)propyl)-4,4-dimethyl-12-oxa-16-thia-4,8-disilahenicosyl)-14-(3-(3-(5-((2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-ylthio)pentylthio)pr::CHEMBL553110

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)CCC[Si](C)(C)CCC[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

InChI Key: InChIKey=NWXGRUCWGDOSDX-FMCZGITMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50295343   
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))
BDBM50295343
PNG
((R,R,2S,2'S,4S,4'S,5R,5'R,6R,6'R)-2,2'-(14-(21-((2...)
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)CCC[Si](C)(C)CCC[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/C140H258N6O54S12Si3/c1-93(153)141-111-99(159)81-135(129(177)178,195-123(111)117(171)105(165)87-147)207-65-21-9-15-53-201-59-27-41-189-47-33-73-214(74-34-48-190-42-28-60-202-54-16-10-22-66-208-136(130(179)180)82-100(160)112(142-94(2)154)124(196-136)118(172)106(166)88-148,75-35-49-191-43-29-61-203-55-17-11-23-67-209-137(131(181)182)83-101(161)113(143-95(3)155)125(197-137)119(173)107(167)89-149)79-39-71-213(7,8)72-40-80-215(76-36-50-192-44-30-62-204-56-18-12-24-68-210-138(132(183)184)84-102(162)114(144-96(4)156)126(198-138)120(174)108(168)90-150,77-37-51-193-45-31-63-205-57-19-13-25-69-211-139(133(185)186)85-103(163)115(145-97(5)157)127(199-139)121(175)109(169)91-151)78-38-52-194-46-32-64-206-58-20-14-26-70-212-140(134(187)188)86-104(164)116(146-98(6)158)128(200-140)122(176)110(170)92-152/h99-128,147-152,159-176H,9-92H2,1-8H3,(H,141,153)(H,142,154)(H,143,155)(H,144,156)(H,145,157)(H,146,158)(H,177,178)(H,179,180)(H,181,182)(H,183,184)(H,185,186)(H,187,188)/t99-,100-,101-,102-,103-,104-,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,135-,136-,137-,138-,139-,140-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.25E+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