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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Neuraminidase' AND taxid = 383586   
Target
(Institution)
LigandTarget
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))
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
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
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
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)

More data for this
Ligand-Target Pair
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
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

Similars

AffyNet 
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)

More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50295347
PNG
((R,R,2S,2'S,4S,4'S,5R,5'R,6R,6'R)-2,2'-(14-(3-(3-(...)
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)c1ccccc1)C(O)=O
Show InChI InChI=1S/C72H125N3O27S6Si/c1-48(79)73-58-52(82)42-70(67(91)92,100-64(58)61(88)55(85)45-76)106-36-13-5-10-30-103-33-16-24-97-27-19-39-109(51-22-8-4-9-23-51,40-20-28-98-25-17-34-104-31-11-6-14-37-107-71(68(93)94)43-53(83)59(74-49(2)80)65(101-71)62(89)56(86)46-77)41-21-29-99-26-18-35-105-32-12-7-15-38-108-72(69(95)96)44-54(84)60(75-50(3)81)66(102-72)63(90)57(87)47-78/h4,8-9,22-23,52-66,76-78,82-90H,5-7,10-21,24-47H2,1-3H3,(H,73,79)(H,74,80)(H,75,81)(H,91,92)(H,93,94)(H,95,96)/t52-,53-,54-,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,70-,71-,72-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
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)

More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50295350
PNG
(Ball(1)12-ether-S-Neu5Ac12 | CHEMBL559353)
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](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)(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)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)CCCOCCSCCCCCS[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
Show InChI InChI=1S/C275H502N12O108S24Si5/c1-180(300)276-216-192(312)156-264(252(348)349,384-240(216)228(336)204(324)168-288)408-123-37-13-25-100-396-112-49-76-372-87-60-136-420(137-61-88-373-77-50-113-397-101-26-14-38-124-409-265(253(350)351)157-193(313)217(277-181(2)301)241(385-265)229(337)205(325)169-289,138-62-89-374-78-51-114-398-102-27-15-39-125-410-266(254(352)353)158-194(314)218(278-182(3)302)242(386-266)230(338)206(326)170-290)148-72-152-424(155-75-151-423(147-71-98-383-99-135-407-111-36-24-48-134-419-275(263(370)371)167-203(323)227(287-191(12)311)251(395-275)239(347)215(335)179-299,145-69-96-381-85-58-121-405-109-34-22-46-132-417-273(261(366)367)165-201(321)225(285-189(10)309)249(393-273)237(345)213(333)177-297)146-70-97-382-86-59-122-406-110-35-23-47-133-418-274(262(368)369)166-202(322)226(286-190(11)310)250(394-274)238(346)214(334)178-298,153-73-149-421(139-63-90-375-79-52-115-399-103-28-16-40-126-411-267(255(354)355)159-195(315)219(279-183(4)303)243(387-267)231(339)207(327)171-291,140-64-91-376-80-53-116-400-104-29-17-41-127-412-268(256(356)357)160-196(316)220(280-184(5)304)244(388-268)232(340)208(328)172-292)141-65-92-377-81-54-117-401-105-30-18-42-128-413-269(257(358)359)161-197(317)221(281-185(6)305)245(389-269)233(341)209(329)173-293)154-74-150-422(142-66-93-378-82-55-118-402-106-31-19-43-129-414-270(258(360)361)162-198(318)222(282-186(7)306)246(390-270)234(342)210(330)174-294,143-67-94-379-83-56-119-403-107-32-20-44-130-415-271(259(362)363)163-199(319)223(283-187(8)307)247(391-271)235(343)211(331)175-295)144-68-95-380-84-57-120-404-108-33-21-45-131-416-272(260(364)365)164-200(320)224(284-188(9)308)248(392-272)236(344)212(332)176-296/h192-251,288-299,312-347H,13-179H2,1-12H3,(H,276,300)(H,277,301)(H,278,302)(H,279,303)(H,280,304)(H,281,305)(H,282,306)(H,283,307)(H,284,308)(H,285,309)(H,286,310)(H,287,311)(H,348,349)(H,350,351)(H,352,353)(H,354,355)(H,356,357)(H,358,359)(H,360,361)(H,362,363)(H,364,365)(H,366,367)(H,368,369)(H,370,371)/t192-,193-,194-,195-,196-,197-,198-,199-,200-,201-,202-,203-,204+,205+,206+,207+,208+,209+,210+,211+,212+,213+,214+,215+,216+,217+,218+,219+,220+,221+,222+,223+,224+,225+,226+,227+,228+,229+,230+,231+,232+,233+,234+,235+,236+,237+,238+,239+,240+,241+,242+,243+,244+,245+,246+,247+,248+,249+,250+,251+,264-,265-,266-,267-,268-,269-,270-,271-,272-,273-,274-,275-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 6.50E+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)

More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50295348
PNG
((R,R,2S,2'S,4S,4'S,5R,5'R,6R,6'R)-2,2'-(10,10,18,1...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@](O[C@H]1[C@H](O)[C@H](O)CO)(SCCCCCSCCC[Si](CCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCSCCCCCS[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](CCC[Si](CCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCCSCCCCCS[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](CCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCCSCCCCCS[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](CCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)(CCCSCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)CCCSCCCCCS[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
Show InChI InChI=1S/C240H432N12O96S24Si5/c1-145(265)241-181-157(277)121-229(217(313)314,337-205(181)193(301)169(289)133-253)361-89-37-13-25-65-349-77-49-101-373(102-50-78-350-66-26-14-38-90-362-230(218(315)316)122-158(278)182(242-146(2)266)206(338-230)194(302)170(290)134-254,103-51-79-351-67-27-15-39-91-363-231(219(317)318)123-159(279)183(243-147(3)267)207(339-231)195(303)171(291)135-255)113-61-117-377(118-62-114-374(104-52-80-352-68-28-16-40-92-364-232(220(319)320)124-160(280)184(244-148(4)268)208(340-232)196(304)172(292)136-256,105-53-81-353-69-29-17-41-93-365-233(221(321)322)125-161(281)185(245-149(5)269)209(341-233)197(305)173(293)137-257)106-54-82-354-70-30-18-42-94-366-234(222(323)324)126-162(282)186(246-150(6)270)210(342-234)198(306)174(294)138-258,119-63-115-375(107-55-83-355-71-31-19-43-95-367-235(223(325)326)127-163(283)187(247-151(7)271)211(343-235)199(307)175(295)139-259,108-56-84-356-72-32-20-44-96-368-236(224(327)328)128-164(284)188(248-152(8)272)212(344-236)200(308)176(296)140-260)109-57-85-357-73-33-21-45-97-369-237(225(329)330)129-165(285)189(249-153(9)273)213(345-237)201(309)177(297)141-261)120-64-116-376(110-58-86-358-74-34-22-46-98-370-238(226(331)332)130-166(286)190(250-154(10)274)214(346-238)202(310)178(298)142-262,111-59-87-359-75-35-23-47-99-371-239(227(333)334)131-167(287)191(251-155(11)275)215(347-239)203(311)179(299)143-263)112-60-88-360-76-36-24-48-100-372-240(228(335)336)132-168(288)192(252-156(12)276)216(348-240)204(312)180(300)144-264/h157-216,253-264,277-312H,13-144H2,1-12H3,(H,241,265)(H,242,266)(H,243,267)(H,244,268)(H,245,269)(H,246,270)(H,247,271)(H,248,272)(H,249,273)(H,250,274)(H,251,275)(H,252,276)(H,313,314)(H,315,316)(H,317,318)(H,319,320)(H,321,322)(H,323,324)(H,325,326)(H,327,328)(H,329,330)(H,331,332)(H,333,334)(H,335,336)/t157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169+,170+,171+,172+,173+,174+,175+,176+,177+,178+,179+,180+,181+,182+,183+,184+,185+,186+,187+,188+,189+,190+,191+,192+,193+,194+,195+,196+,197+,198+,199+,200+,201+,202+,203+,204+,205+,206+,207+,208+,209+,210+,211+,212+,213+,214+,215+,216+,229-,230-,231-,232-,233-,234-,235-,236-,237-,238-,239-,240-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 7.00E+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)

More data for this
Ligand-Target Pair
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
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

Similars

AffyNet 
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)

More data for this
Ligand-Target Pair
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
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

Similars

AffyNet 
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)

More data for this
Ligand-Target Pair
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
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

Similars

AffyNet 
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)

More data for this
Ligand-Target Pair