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BDBM50295344 (R,R,2S,2'S,4S,4'S,5R,5'R,6R,6'R)-2,2'-(17,17-bis(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-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)::CHEMBL562635

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)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)C(O)=O

InChI Key: InChIKey=UFJYCIMNXRSFQJ-HSLOXFCUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50295344   
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))
BDBM50295344
PNG
((R,R,2S,2'S,4S,4'S,5R,5'R,6R,6'R)-2,2'-(17,17-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)(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)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)C(O)=O |r|
Show InChI InChI=1S/C100H180N8O36S8Si/c1-65(113)105-81-69(117)57-97(93(133)134,141-89(81)85(129)73(121)61-109)149-49-25-9-21-45-145-41-17-5-13-33-77(125)101-37-29-53-153(54-30-38-102-78(126)34-14-6-18-42-146-46-22-10-26-50-150-98(94(135)136)58-70(118)82(106-66(2)114)90(142-98)86(130)74(122)62-110,55-31-39-103-79(127)35-15-7-19-43-147-47-23-11-27-51-151-99(95(137)138)59-71(119)83(107-67(3)115)91(143-99)87(131)75(123)63-111)56-32-40-104-80(128)36-16-8-20-44-148-48-24-12-28-52-152-100(96(139)140)60-72(120)84(108-68(4)116)92(144-100)88(132)76(124)64-112/h69-76,81-92,109-112,117-124,129-132H,5-64H2,1-4H3,(H,101,125)(H,102,126)(H,103,127)(H,104,128)(H,105,113)(H,106,114)(H,107,115)(H,108,116)(H,133,134)(H,135,136)(H,137,138)(H,139,140)/t69-,70-,71-,72-,73+,74+,75+,76+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,97-,98-,99-,100-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.80E+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