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BDBM50295349 (R,R,2S,2'S,4S,4'S,5R,5'R,6R,6'R)-2,2'-(17-(24-((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-(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)-4,4-dimethyl-13-oxo-19-thia-12-aza-4,8-disilatetracosyl)-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)pe::CHEMBL562908

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)CCC[Si](C)(C)CCC[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=SAFDGWJVZZAZIB-DAMKWQHISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50295349   
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))
BDBM50295349
PNG
((R,R,2S,2'S,4S,4'S,5R,5'R,6R,6'R)-2,2'-(17-(24-((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)(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)CCC[Si](C)(C)CCC[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/C158H288N12O54S12Si3/c1-105(177)165-129-111(183)93-153(147(207)208,219-141(129)135(201)117(189)99-171)231-77-39-15-33-71-225-65-27-9-21-53-123(195)159-59-45-85-238(86-46-60-160-124(196)54-22-10-28-66-226-72-34-16-40-78-232-154(148(209)210)94-112(184)130(166-106(2)178)142(220-154)136(202)118(190)100-172,87-47-61-161-125(197)55-23-11-29-67-227-73-35-17-41-79-233-155(149(211)212)95-113(185)131(167-107(3)179)143(221-155)137(203)119(191)101-173)91-51-83-237(7,8)84-52-92-239(88-48-62-162-126(198)56-24-12-30-68-228-74-36-18-42-80-234-156(150(213)214)96-114(186)132(168-108(4)180)144(222-156)138(204)120(192)102-174,89-49-63-163-127(199)57-25-13-31-69-229-75-37-19-43-81-235-157(151(215)216)97-115(187)133(169-109(5)181)145(223-157)139(205)121(193)103-175)90-50-64-164-128(200)58-26-14-32-70-230-76-38-20-44-82-236-158(152(217)218)98-116(188)134(170-110(6)182)146(224-158)140(206)122(194)104-176/h111-122,129-146,171-176,183-194,201-206H,9-104H2,1-8H3,(H,159,195)(H,160,196)(H,161,197)(H,162,198)(H,163,199)(H,164,200)(H,165,177)(H,166,178)(H,167,179)(H,168,180)(H,169,181)(H,170,182)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H,217,218)/t111-,112-,113-,114-,115-,116-,117+,118+,119+,120+,121+,122+,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+,140+,141+,142+,143+,144+,145+,146+,153-,154-,155-,156-,157-,158-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.10E+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