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Compile Data Set for Download or QSAR

Found 20 hits of ic50 for UniProtKB: P0C6E9   
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
Sialidase


(Vibrio cholerae)
BDBM50317435
PNG
(CHEMBL1096406 | Erythribyssin O)
Show SMILES CC(C)=CCc1c(O)ccc2c3COc4cc(O)c(C=O)cc4-c3oc12
Show InChI InChI=1S/C21H18O5/c1-11(2)3-4-14-17(23)6-5-13-16-10-25-19-8-18(24)12(9-22)7-15(19)21(16)26-20(13)14/h3,5-9,23-24H,4,10H2,1-2H3
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n/an/a 350n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Vibrio cholerae neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 30 mins by spectrofluorometry


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Vibrio cholerae)
BDBM50317434
PNG
(CHEMBL1097045 | eryvarin D)
Show SMILES COc1ccc2c3COc4cc(O)ccc4-c3oc2c1CC=C(C)C
Show InChI InChI=1S/C21H20O4/c1-12(2)4-6-15-18(23-3)9-8-14-17-11-24-19-10-13(22)5-7-16(19)21(17)25-20(14)15/h4-5,7-10,22H,6,11H2,1-3H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Vibrio cholerae neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 30 mins by spectrofluorometry


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Vibrio cholerae)
BDBM50317436
PNG
(CHEMBL1096407 | calopocarpin)
Show SMILES CC(C)=CCc1cc2[C@@H]3Oc4cc(O)ccc4[C@@H]3COc2cc1O
Show InChI InChI=1S/C20H20O4/c1-11(2)3-4-12-7-15-18(9-17(12)22)23-10-16-14-6-5-13(21)8-19(14)24-20(15)16/h3,5-9,16,20-22H,4,10H2,1-2H3/t16-,20-/m0/s1
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n/an/a 7.55E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Vibrio cholerae neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 30 mins by spectrofluorometry


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Vibrio cholerae)
BDBM4706
PNG
((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1
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n/an/a 8.60E+3n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Inhibition of Vibrio cholerae sialidase using Neu5Acalpha2-3GalbetapNP as substrate after 30 mins by colorimetric assay


Bioorg Med Chem 26: 5751-5757 (2018)

More data for this
Ligand-Target Pair
Sialidase


(Vibrio cholerae)
BDBM50466472
PNG
(CHEMBL4289476)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)Cn1cc(C[C@H](N)C(=O)N[C@H](CCC(O)=O)C(N)=O)nn1)C(O)=O
Show InChI InChI=1S/C21H31N7O11/c1-8(29)24-16-12(30)5-14(21(37)38)39-18(16)17(34)13(31)7-28-6-9(26-27-28)4-10(22)20(36)25-11(19(23)35)2-3-15(32)33/h5-6,10-13,16-18,30-31,34H,2-4,7,22H2,1H3,(H2,23,35)(H,24,29)(H,25,36)(H,32,33)(H,37,38)/t10-,11+,12-,13+,16+,17+,18+/m0/s1
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n/an/a 1.09E+4n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Inhibition of Vibrio cholerae sialidase using Neu5Acalpha2-3GalbetapNP as substrate after 30 mins by colorimetric assay


Bioorg Med Chem 26: 5751-5757 (2018)

More data for this
Ligand-Target Pair
Sialidase


(Vibrio cholerae)
BDBM50311583
PNG
(Abyssinone II | CHEMBL508534 | phaseolidin | phase...)
Show SMILES CC(C)=CCc1c2O[C@@H]3[C@@H](COc4cc(O)ccc34)c2ccc1O
Show InChI InChI=1S/C20H20O4/c1-11(2)3-5-14-17(22)8-7-13-16-10-23-18-9-12(21)4-6-15(18)20(16)24-19(13)14/h3-4,6-9,16,20-22H,5,10H2,1-2H3/t16-,20-/m0/s1
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n/an/a 1.16E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Vibrio cholerae neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 30 mins by spectrofluorometry


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Vibrio cholerae)
BDBM50466474
PNG
(CHEMBL4282280)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)Cn1cc(C[C@H](N)C(O)=O)nn1)C(O)=O
Show InChI InChI=1S/C16H23N5O9/c1-6(22)18-12-9(23)3-11(16(28)29)30-14(12)13(25)10(24)5-21-4-7(19-20-21)2-8(17)15(26)27/h3-4,8-10,12-14,23-25H,2,5,17H2,1H3,(H,18,22)(H,26,27)(H,28,29)/t8-,9-,10+,12+,13+,14+/m0/s1
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n/an/a 1.35E+4n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Inhibition of Vibrio cholerae sialidase using Neu5Acalpha2-3GalbetapNP as substrate after 30 mins by colorimetric assay


Bioorg Med Chem 26: 5751-5757 (2018)

More data for this
Ligand-Target Pair
Sialidase


(Vibrio cholerae)
BDBM50311581
PNG
(CHEMBL1086764 | erysubin E)
Show SMILES CC(C)=CCc1cc2[C@@H]3Oc4c(ccc5OC(C)(C)C=Cc45)[C@]3(O)COc2cc1O
Show InChI InChI=1S/C25H26O5/c1-14(2)5-6-15-11-17-21(12-19(15)26)28-13-25(27)18-7-8-20-16(22(18)29-23(17)25)9-10-24(3,4)30-20/h5,7-12,23,26-27H,6,13H2,1-4H3/t23-,25+/m0/s1
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n/an/a 1.95E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Vibrio cholerae neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 30 mins by spectrofluorometry


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Vibrio cholerae)
BDBM50331692
PNG
((2R,3R,4S)-3-acetamido-2-((1R,2R)-3-azido-1,2-dihy...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CN=[N+]=[N-])C(O)=O
Show InChI InChI=1S/C11H16N4O7/c1-4(16)14-8-5(17)2-7(11(20)21)22-10(8)9(19)6(18)3-13-15-12/h2,5-6,8-10,17-19H,3H2,1H3,(H,14,16)(H,20,21)/t5-,6+,8+,9+,10+/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Inhibition of Vibrio cholerae sialidase using Neu5Acalpha2-3GalbetapNP as substrate after 30 mins by colorimetric assay


Bioorg Med Chem 26: 5751-5757 (2018)

More data for this
Ligand-Target Pair
Sialidase


(Vibrio cholerae)
BDBM50317430
PNG
(CHEMBL454849 | Erythrabyssin I | cristacarpin | cr...)
Show SMILES COc1ccc2c(O[C@H]3c4ccc(O)cc4OC[C@@]23O)c1CC=C(C)C
Show InChI InChI=1S/C21H22O5/c1-12(2)4-6-14-17(24-3)9-8-16-19(14)26-20-15-7-5-13(22)10-18(15)25-11-21(16,20)23/h4-5,7-10,20,22-23H,6,11H2,1-3H3/t20-,21+/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Vibrio cholerae neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 30 mins by spectrofluorometry


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Vibrio cholerae)
BDBM50317439
PNG
(CHEMBL1095422 | erysubin D)
Show SMILES CC(C)=CCc1cc2[C@@H]3Oc4c(ccc5OC(C)(C)C(O)Cc45)[C@@H]3COc2cc1O
Show InChI InChI=1S/C25H28O5/c1-13(2)5-6-14-9-16-21(11-19(14)26)28-12-18-15-7-8-20-17(23(15)29-24(16)18)10-22(27)25(3,4)30-20/h5,7-9,11,18,22,24,26-27H,6,10,12H2,1-4H3/t18-,22?,24-/m0/s1
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n/an/a 2.64E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Vibrio cholerae neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 30 mins by spectrofluorometry


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Vibrio cholerae)
BDBM50317437
PNG
(CHEMBL1096408 | Erythribyssin L)
Show SMILES CC(C)=CCc1c2O[C@@H]3[C@@H](COc4cc5OC(C)(C)C(O)Cc5cc34)c2ccc1O
Show InChI InChI=1S/C25H28O5/c1-13(2)5-6-16-19(26)8-7-15-18-12-28-21-11-20-14(10-22(27)25(3,4)30-20)9-17(21)24(18)29-23(15)16/h5,7-9,11,18,22,24,26-27H,6,10,12H2,1-4H3/t18-,22?,24-/m0/s1
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n/an/a 2.71E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Vibrio cholerae neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 30 mins by spectrofluorometry


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Vibrio cholerae)
BDBM50311586
PNG
(CHEMBL1088462 | erystagallin A)
Show SMILES COc1ccc2c(O[C@H]3c4cc(CC=C(C)C)c(O)cc4OC[C@@]23O)c1CC=C(C)C
Show InChI InChI=1S/C26H30O5/c1-15(2)6-8-17-12-19-23(13-21(17)27)30-14-26(28)20-10-11-22(29-5)18(9-7-16(3)4)24(20)31-25(19)26/h6-7,10-13,25,27-28H,8-9,14H2,1-5H3/t25-,26+/m0/s1
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n/an/a 2.77E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Vibrio cholerae neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 30 mins by spectrofluorometry


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Vibrio cholerae)
BDBM50466473
PNG
(CHEMBL4278803)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)Cn1cc(C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(N)=O)nn1)C(O)=O
Show InChI InChI=1S/C32H50N10O15/c1-14(43)36-25-20(44)11-22(32(55)56)57-27(25)26(50)21(45)13-42-12-15(40-41-42)10-19(39-29(52)16(34)5-7-23(46)47)31(54)38-18(4-2-3-9-33)30(53)37-17(28(35)51)6-8-24(48)49/h11-12,16-21,25-27,44-45,50H,2-10,13,33-34H2,1H3,(H2,35,51)(H,36,43)(H,37,53)(H,38,54)(H,39,52)(H,46,47)(H,48,49)(H,55,56)/t16-,17-,18-,19-,20-,21+,25+,26+,27+/m0/s1
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n/an/a 2.89E+4n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Inhibition of Vibrio cholerae sialidase using Neu5Acalpha2-3GalbetapNP as substrate after 30 mins by colorimetric assay


Bioorg Med Chem 26: 5751-5757 (2018)

More data for this
Ligand-Target Pair
Sialidase


(Vibrio cholerae)
BDBM50317431
PNG
(CHEMBL1098413 | demethylmedicarpin)
Show SMILES Oc1ccc2[C@@H]3COc4cc(O)ccc4[C@@H]3Oc2c1
Show InChI InChI=1S/C15H12O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,12,15-17H,7H2/t12-,15-/m0/s1
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n/an/a 2.95E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Vibrio cholerae neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 30 mins by spectrofluorometry


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Vibrio cholerae)
BDBM50317438
PNG
(Abyssinone I | CHEMBL448350 | phaseollin)
Show SMILES CC1(C)Oc2ccc3[C@@H]4COc5cc(O)ccc5[C@@H]4Oc3c2C=C1
Show InChI InChI=1S/C20H18O4/c1-20(2)8-7-14-16(24-20)6-5-12-15-10-22-17-9-11(21)3-4-13(17)19(15)23-18(12)14/h3-9,15,19,21H,10H2,1-2H3/t15-,19-/m0/s1
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n/an/a 3.14E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Vibrio cholerae neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 30 mins by spectrofluorometry


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Vibrio cholerae)
BDBM50317428
PNG
(CHEMBL1099089 | Erythribyssin D)
Show SMILES CC1(C)Oc2ccc3[C@@H]4COc5cc(O)ccc5[C@@H]4Oc3c2CC1O
Show InChI InChI=1S/C20H20O5/c1-20(2)17(22)8-13-15(25-20)6-5-11-14-9-23-16-7-10(21)3-4-12(16)19(14)24-18(11)13/h3-7,14,17,19,21-22H,8-9H2,1-2H3/t14-,17?,19-/m0/s1
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n/an/a 4.62E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Vibrio cholerae neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 30 mins by spectrofluorometry


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Vibrio cholerae)
BDBM50317432
PNG
(CHEMBL1098728 | NEORAUTENOL)
Show SMILES CC1(C)Oc2cc3OC[C@@H]4[C@@H](Oc5cc(O)ccc45)c3cc2C=C1
Show InChI InChI=1S/C20H18O4/c1-20(2)6-5-11-7-14-17(9-16(11)24-20)22-10-15-13-4-3-12(21)8-18(13)23-19(14)15/h3-9,15,19,21H,10H2,1-2H3/t15-,19-/m0/s1
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n/an/a 5.31E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Vibrio cholerae neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 30 mins by spectrofluorometry


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Vibrio cholerae)
BDBM50317433
PNG
(CHEMBL1098729 | isoneorautenol)
Show SMILES CC1(C)Oc2cc3O[C@@H]4[C@@H](COc5cc(O)ccc45)c3cc2C=C1
Show InChI InChI=1S/C20H18O4/c1-20(2)6-5-11-7-14-15-10-22-17-8-12(21)3-4-13(17)19(15)23-18(14)9-16(11)24-20/h3-9,15,19,21H,10H2,1-2H3/t15-,19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.48E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Vibrio cholerae neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 30 mins by spectrofluorometry


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair
Sialidase


(Vibrio cholerae)
BDBM50317429
PNG
(CHEMBL1099090 | Erythribyssin M)
Show SMILES CC1(C)Oc2ccc3[C@H]4COc5cc(O)ccc5[C@H]4Oc3c2CC1O
Show InChI InChI=1S/C20H20O5/c1-20(2)17(22)8-13-15(25-20)6-5-11-14-9-23-16-7-10(21)3-4-12(16)19(14)24-18(11)13/h3-7,14,17,19,21-22H,8-9H2,1-2H3/t14-,17?,19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.77E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Vibrio cholerae neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 30 mins by spectrofluorometry


Bioorg Med Chem 18: 3335-44 (2010)


Article DOI: 10.1016/j.bmc.2010.03.005
BindingDB Entry DOI: 10.7270/Q2MW2HBM
More data for this
Ligand-Target Pair