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PubMed code 20696581

Compile data set for download or QSAR
Found 25 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
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
Sialidase


(Clostridium perfringens)		BDBM50325675
PNG
(CHEMBL480158 | smeathxanthone A)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3c(-[#8])ccc(-[#8])c3c(=O)c2c1-[#8]
Show InChI InChI=1S/C23H24O6/c1-12(2)5-4-6-13(3)7-8-14-17(26)11-18-20(21(14)27)22(28)19-15(24)9-10-16(25)23(19)29-18/h5,7,9-11,24-27H,4,6,8H2,1-3H3/b13-7+
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 150n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of Clostridium perfringens neuraminidase by fluorometry

Bioorg Med Chem 18: 6258-64 (2010)


Article DOI: 10.1016/j.bmc.2010.07.033
BindingDB Entry DOI: 10.7270/Q2BK1CK4
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)		BDBM50241453
PNG
(1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c1-[#8]
Show InChI InChI=1S/C23H24O6/c1-11(2)5-7-13-15(24)9-18-20(22(13)27)23(28)19-14(8-6-12(3)4)21(26)16(25)10-17(19)29-18/h5-6,9-10,24-27H,7-8H2,1-4H3
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 800n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of Clostridium perfringens neuraminidase by fluorometry

Bioorg Med Chem 18: 6258-64 (2010)


Article DOI: 10.1016/j.bmc.2010.07.033
BindingDB Entry DOI: 10.7270/Q2BK1CK4
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)		BDBM50250510
PNG
(CHEMBL462879 | GARCINONE D)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]-[#6]C([#6])([#6])[#8]
Show InChI InChI=1S/C24H28O7/c1-12(2)6-7-13-15(25)10-18-20(21(13)27)22(28)19-14(8-9-24(3,4)29)23(30-5)16(26)11-17(19)31-18/h6,10-11,25-27,29H,7-9H2,1-5H3
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 3.30E+3n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of Clostridium perfringens neuraminidase by fluorometry

Bioorg Med Chem 18: 6258-64 (2010)


Article DOI: 10.1016/j.bmc.2010.07.033
BindingDB Entry DOI: 10.7270/Q2BK1CK4
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)		BDBM50311743
PNG
(CHEMBL487992 | GARTANIN)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc3c(-[#8])ccc(-[#8])c3c(=O)c2c1-[#8]
Show InChI InChI=1S/C23H24O6/c1-11(2)5-7-13-19(26)14(8-6-12(3)4)22-18(20(13)27)21(28)17-15(24)9-10-16(25)23(17)29-22/h5-6,9-10,24-27H,7-8H2,1-4H3
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 3.60E+3n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of Clostridium perfringens neuraminidase by fluorometry

Bioorg Med Chem 18: 6258-64 (2010)


Article DOI: 10.1016/j.bmc.2010.07.033
BindingDB Entry DOI: 10.7270/Q2BK1CK4
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)		BDBM50214969
PNG
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3
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 5.80E+3n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of Clostridium perfringens neuraminidase by fluorometry

Bioorg Med Chem 18: 6258-64 (2010)


Article DOI: 10.1016/j.bmc.2010.07.033
BindingDB Entry DOI: 10.7270/Q2BK1CK4
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)		BDBM50311741
PNG
(1,6-dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-6',...)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc4-[#8]C([#6])([#6])[#6]=[#6]-c4c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] |c:15|
Show InChI InChI=1S/C24H24O6/c1-12(2)6-7-14-19-17(10-15(25)23(14)28-5)29-18-11-16-13(8-9-24(3,4)30-16)21(26)20(18)22(19)27/h6,8-11,25-26H,7H2,1-5H3
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 5.90E+3n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of Clostridium perfringens neuraminidase by fluorometry

Bioorg Med Chem 18: 6258-64 (2010)


Article DOI: 10.1016/j.bmc.2010.07.033
BindingDB Entry DOI: 10.7270/Q2BK1CK4
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)		BDBM50325676
PNG
(CHEMBL1224250 | mangostanol)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc4-[#8]C([#6])([#6])[#6](-[#8])-[#6]-c4c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C24H26O7/c1-11(2)6-7-12-19-16(9-14(25)23(12)29-5)30-17-10-15-13(21(27)20(17)22(19)28)8-18(26)24(3,4)31-15/h6,9-10,18,25-27H,7-8H2,1-5H3
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 6.50E+3n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of Clostridium perfringens neuraminidase by fluorometry

Bioorg Med Chem 18: 6258-64 (2010)


Article DOI: 10.1016/j.bmc.2010.07.033
BindingDB Entry DOI: 10.7270/Q2BK1CK4
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)		BDBM50325678
PNG
(4,8,10-trihydroxy-9-(3-methylbut-2-enyl)-2-(prop-1...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3cc(-[#8])c4-[#8]-[#6](-[#6]-c4c3c(=O)c2c1-[#8])-[#6](-[#6])=[#6]
Show InChI InChI=1S/C23H22O6/c1-10(2)5-6-12-14(24)8-18-20(21(12)26)22(27)19-13-7-16(11(3)4)29-23(13)15(25)9-17(19)28-18/h5,8-9,16,24-26H,3,6-7H2,1-2,4H3
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 6.80E+3n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of Clostridium perfringens neuraminidase by fluorometry

Bioorg Med Chem 18: 6258-64 (2010)


Article DOI: 10.1016/j.bmc.2010.07.033
BindingDB Entry DOI: 10.7270/Q2BK1CK4
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)		BDBM50325677
PNG
(4,8-dihydroxy-7-methoxy-6-(3-methylbut-2-enyl)-2-(...)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc4-[#8]-[#6](-[#6]-c4c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#6])=[#6]
Show InChI InChI=1S/C24H24O6/c1-11(2)6-7-13-20-18(9-15(25)24(13)28-5)30-19-10-17-14(8-16(29-17)12(3)4)22(26)21(19)23(20)27/h6,9-10,16,25-26H,3,7-8H2,1-2,4-5H3
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 7.60E+3n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of Clostridium perfringens neuraminidase by fluorometry

Bioorg Med Chem 18: 6258-64 (2010)


Article DOI: 10.1016/j.bmc.2010.07.033
BindingDB Entry DOI: 10.7270/Q2BK1CK4
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)		BDBM50311742
PNG
(8-DEOXYGARTANIN | 8-desoxygartanin | CHEMBL488606)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc3c(-[#8])cccc3c(=O)c2c1-[#8]
Show InChI InChI=1S/C23H24O5/c1-12(2)8-10-14-19(25)16(11-9-13(3)4)23-18(20(14)26)21(27)15-6-5-7-17(24)22(15)28-23/h5-9,24-26H,10-11H2,1-4H3
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 1.55E+4n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of Clostridium perfringens neuraminidase by fluorometry

Bioorg Med Chem 18: 6258-64 (2010)


Article DOI: 10.1016/j.bmc.2010.07.033
BindingDB Entry DOI: 10.7270/Q2BK1CK4
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)		BDBM50241454
PNG
(1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-...)
Show SMILES [#6]-[#8]-c1cc2oc3cc(-[#8])c(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C25H28O6/c1-13(2)7-9-15-18(29-5)12-20-22(23(15)27)24(28)21-16(10-8-14(3)4)25(30-6)17(26)11-19(21)31-20/h7-8,11-12,26-27H,9-10H2,1-6H3
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 2.49E+4n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of Clostridium perfringens neuraminidase by fluorometry

Bioorg Med Chem 18: 6258-64 (2010)


Article DOI: 10.1016/j.bmc.2010.07.033
BindingDB Entry DOI: 10.7270/Q2BK1CK4
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)		BDBM50325679
PNG
(CHEMBL1224332 | cudraxanthone)
Show SMILES [#6]-[#8]-c1cc2oc3c(-[#8])cccc3c(=O)c2c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C19H18O5/c1-10(2)7-8-11-14(23-3)9-15-16(17(11)21)18(22)12-5-4-6-13(20)19(12)24-15/h4-7,9,20-21H,8H2,1-3H3
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 3.52E+4n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Competitive inhibition of Clostridium perfringens neuraminidase by fluorometry

Bioorg Med Chem 18: 6258-64 (2010)


Article DOI: 10.1016/j.bmc.2010.07.033
BindingDB Entry DOI: 10.7270/Q2BK1CK4
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)		BDBM50325675
PNG
(CHEMBL480158 | smeathxanthone A)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3c(-[#8])ccc(-[#8])c3c(=O)c2c1-[#8]
Show InChI InChI=1S/C23H24O6/c1-12(2)5-4-6-13(3)7-8-14-17(26)11-18-20(21(14)27)22(28)19-15(24)9-10-16(25)23(19)29-18/h5,7,9-11,24-27H,4,6,8H2,1-3H3/b13-7+
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n/an/a 270n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of Clostridium perfringens neuraminidase by fluorometry

Bioorg Med Chem 18: 6258-64 (2010)


Article DOI: 10.1016/j.bmc.2010.07.033
BindingDB Entry DOI: 10.7270/Q2BK1CK4
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)		BDBM50241453
PNG
(1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-enyl)-9...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c1-[#8]
Show InChI InChI=1S/C23H24O6/c1-11(2)5-7-13-15(24)9-18-20(22(13)27)23(28)19-14(8-6-12(3)4)21(26)16(25)10-17(19)29-18/h5-6,9-10,24-27H,7-8H2,1-4H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of Clostridium perfringens neuraminidase by fluorometry

Bioorg Med Chem 18: 6258-64 (2010)


Article DOI: 10.1016/j.bmc.2010.07.033
BindingDB Entry DOI: 10.7270/Q2BK1CK4
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)		BDBM50311743
PNG
(CHEMBL487992 | GARTANIN)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc3c(-[#8])ccc(-[#8])c3c(=O)c2c1-[#8]
Show InChI InChI=1S/C23H24O6/c1-11(2)5-7-13-19(26)14(8-6-12(3)4)22-18(20(13)27)21(28)17-15(24)9-10-16(25)23(17)29-22/h5-6,9-10,24-27H,7-8H2,1-4H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of Clostridium perfringens neuraminidase by fluorometry

Bioorg Med Chem 18: 6258-64 (2010)


Article DOI: 10.1016/j.bmc.2010.07.033
BindingDB Entry DOI: 10.7270/Q2BK1CK4
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)		BDBM50250510
PNG
(CHEMBL462879 | GARCINONE D)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]-[#6]C([#6])([#6])[#8]
Show InChI InChI=1S/C24H28O7/c1-12(2)6-7-13-15(25)10-18-20(21(13)27)22(28)19-14(8-9-24(3,4)29)23(30-5)16(26)11-17(19)31-18/h6,10-11,25-27,29H,7-9H2,1-5H3
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n/an/a 5.70E+3n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of Clostridium perfringens neuraminidase by fluorometry

Bioorg Med Chem 18: 6258-64 (2010)


Article DOI: 10.1016/j.bmc.2010.07.033
BindingDB Entry DOI: 10.7270/Q2BK1CK4
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)		BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 9.80E+3n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of Clostridium perfringens neuraminidase by fluorometry

Bioorg Med Chem 18: 6258-64 (2010)


Article DOI: 10.1016/j.bmc.2010.07.033
BindingDB Entry DOI: 10.7270/Q2BK1CK4
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)		BDBM50214969
PNG
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3
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n/an/a 1.22E+4n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of Clostridium perfringens neuraminidase by fluorometry

Bioorg Med Chem 18: 6258-64 (2010)


Article DOI: 10.1016/j.bmc.2010.07.033
BindingDB Entry DOI: 10.7270/Q2BK1CK4
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)		BDBM50325678
PNG
(4,8,10-trihydroxy-9-(3-methylbut-2-enyl)-2-(prop-1...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3cc(-[#8])c4-[#8]-[#6](-[#6]-c4c3c(=O)c2c1-[#8])-[#6](-[#6])=[#6]
Show InChI InChI=1S/C23H22O6/c1-10(2)5-6-12-14(24)8-18-20(21(12)26)22(27)19-13-7-16(11(3)4)29-23(13)15(25)9-17(19)28-18/h5,8-9,16,24-26H,3,6-7H2,1-2,4H3
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n/an/a 1.46E+4n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of Clostridium perfringens neuraminidase by fluorometry

Bioorg Med Chem 18: 6258-64 (2010)


Article DOI: 10.1016/j.bmc.2010.07.033
BindingDB Entry DOI: 10.7270/Q2BK1CK4
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)		BDBM50311741
PNG
(1,6-dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-6',...)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc4-[#8]C([#6])([#6])[#6]=[#6]-c4c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] |c:15|
Show InChI InChI=1S/C24H24O6/c1-12(2)6-7-14-19-17(10-15(25)23(14)28-5)29-18-11-16-13(8-9-24(3,4)30-16)21(26)20(18)22(19)27/h6,8-11,25-26H,7H2,1-5H3
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n/an/a 2.01E+4n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of Clostridium perfringens neuraminidase by fluorometry

Bioorg Med Chem 18: 6258-64 (2010)


Article DOI: 10.1016/j.bmc.2010.07.033
BindingDB Entry DOI: 10.7270/Q2BK1CK4
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)		BDBM50325676
PNG
(CHEMBL1224250 | mangostanol)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc4-[#8]C([#6])([#6])[#6](-[#8])-[#6]-c4c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C24H26O7/c1-11(2)6-7-12-19-16(9-14(25)23(12)29-5)30-17-10-15-13(21(27)20(17)22(19)28)8-18(26)24(3,4)31-15/h6,9-10,18,25-27H,7-8H2,1-5H3
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n/an/a 2.15E+4n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of Clostridium perfringens neuraminidase by fluorometry

Bioorg Med Chem 18: 6258-64 (2010)


Article DOI: 10.1016/j.bmc.2010.07.033
BindingDB Entry DOI: 10.7270/Q2BK1CK4
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)		BDBM50325677
PNG
(4,8-dihydroxy-7-methoxy-6-(3-methylbut-2-enyl)-2-(...)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc4-[#8]-[#6](-[#6]-c4c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#6])=[#6]
Show InChI InChI=1S/C24H24O6/c1-11(2)6-7-13-20-18(9-15(25)24(13)28-5)30-19-10-17-14(8-16(29-17)12(3)4)22(26)21(19)23(20)27/h6,9-10,16,25-26H,3,7-8H2,1-2,4-5H3
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n/an/a 2.48E+4n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of Clostridium perfringens neuraminidase by fluorometry

Bioorg Med Chem 18: 6258-64 (2010)


Article DOI: 10.1016/j.bmc.2010.07.033
BindingDB Entry DOI: 10.7270/Q2BK1CK4
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)		BDBM50311742
PNG
(8-DEOXYGARTANIN | 8-desoxygartanin | CHEMBL488606)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc3c(-[#8])cccc3c(=O)c2c1-[#8]
Show InChI InChI=1S/C23H24O5/c1-12(2)8-10-14-19(25)16(11-9-13(3)4)23-18(20(14)26)21(27)15-6-5-7-17(24)22(15)28-23/h5-9,24-26H,10-11H2,1-4H3
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n/an/a 2.92E+4n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of Clostridium perfringens neuraminidase by fluorometry

Bioorg Med Chem 18: 6258-64 (2010)


Article DOI: 10.1016/j.bmc.2010.07.033
BindingDB Entry DOI: 10.7270/Q2BK1CK4
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)		BDBM50241454
PNG
(1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-...)
Show SMILES [#6]-[#8]-c1cc2oc3cc(-[#8])c(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C25H28O6/c1-13(2)7-9-15-18(29-5)12-20-22(23(15)27)24(28)21-16(10-8-14(3)4)25(30-6)17(26)11-19(21)31-20/h7-8,11-12,26-27H,9-10H2,1-6H3
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n/an/a 6.07E+4n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of Clostridium perfringens neuraminidase by fluorometry

Bioorg Med Chem 18: 6258-64 (2010)


Article DOI: 10.1016/j.bmc.2010.07.033
BindingDB Entry DOI: 10.7270/Q2BK1CK4
More data for this
Ligand-Target Pair
Sialidase


(Clostridium perfringens)		BDBM50325679
PNG
(CHEMBL1224332 | cudraxanthone)
Show SMILES [#6]-[#8]-c1cc2oc3c(-[#8])cccc3c(=O)c2c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C19H18O5/c1-10(2)7-8-11-14(23-3)9-15-16(17(11)21)18(22)12-5-4-6-13(20)19(12)24-15/h4-7,9,20-21H,8H2,1-3H3
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n/an/a 6.57E+4n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of Clostridium perfringens neuraminidase by fluorometry

Bioorg Med Chem 18: 6258-64 (2010)


Article DOI: 10.1016/j.bmc.2010.07.033
BindingDB Entry DOI: 10.7270/Q2BK1CK4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%