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PubMed code 9873724

Compile data set for download or QSAR
Found 21 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
L-selectin


(Homo sapiens (Human))		BDBM50072620
PNG
(1-[4-Methoxy-3-(3,4,5-trihydroxy-6-hydroxymethyl-t...)
Show SMILES COc1ccc(cc1C1OC(CO)C(O)C(O)C1O)C1(CCCCC1)C(O)=O
Show InChI InChI=1S/C20H28O8/c1-27-13-6-5-11(20(19(25)26)7-3-2-4-8-20)9-12(13)18-17(24)16(23)15(22)14(10-21)28-18/h5-6,9,14-18,21-24H,2-4,7-8,10H2,1H3,(H,25,26)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Sankyo Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against L-selectin IgG chimeras binding to sLex coating 96 wells using competitive cell-free ELISA assay was dete...

Bioorg Med Chem Lett 8: 3307-10 (1999)


BindingDB Entry DOI: 10.7270/Q2W0953H
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50072621
PNG
(CHEMBL112485 | [4-Methoxy-3-(3,4,5-trihydroxy-6-me...)
Show SMILES COc1ccc(CC(O)=O)cc1C1OC(C)C(O)C(O)C1O
Show InChI InChI=1S/C15H20O7/c1-7-12(18)13(19)14(20)15(22-7)9-5-8(6-11(16)17)3-4-10(9)21-2/h3-5,7,12-15,18-20H,6H2,1-2H3,(H,16,17)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Sankyo Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against P-selectin IgG chimeras binding to sLex coating 96 wells using competitive cell-free ELISA assay was dete...

Bioorg Med Chem Lett 8: 3307-10 (1999)


BindingDB Entry DOI: 10.7270/Q2W0953H
More data for this
Ligand-Target Pair
L-selectin


(Homo sapiens (Human))		BDBM50072621
PNG
(CHEMBL112485 | [4-Methoxy-3-(3,4,5-trihydroxy-6-me...)
Show SMILES COc1ccc(CC(O)=O)cc1C1OC(C)C(O)C(O)C1O
Show InChI InChI=1S/C15H20O7/c1-7-12(18)13(19)14(20)15(22-7)9-5-8(6-11(16)17)3-4-10(9)21-2/h3-5,7,12-15,18-20H,6H2,1-2H3,(H,16,17)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Sankyo Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against L-selectin IgG chimeras binding to sLex coating 96 wells using competitive cell-free ELISA assay was dete...

Bioorg Med Chem Lett 8: 3307-10 (1999)


BindingDB Entry DOI: 10.7270/Q2W0953H
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50072620
PNG
(1-[4-Methoxy-3-(3,4,5-trihydroxy-6-hydroxymethyl-t...)
Show SMILES COc1ccc(cc1C1OC(CO)C(O)C(O)C1O)C1(CCCCC1)C(O)=O
Show InChI InChI=1S/C20H28O8/c1-27-13-6-5-11(20(19(25)26)7-3-2-4-8-20)9-12(13)18-17(24)16(23)15(22)14(10-21)28-18/h5-6,9,14-18,21-24H,2-4,7-8,10H2,1H3,(H,25,26)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Sankyo Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against P-selectin IgG chimeras binding to sLex coating 96 wells using competitive cell-free ELISA assay was dete...

Bioorg Med Chem Lett 8: 3307-10 (1999)


BindingDB Entry DOI: 10.7270/Q2W0953H
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50072617
PNG
(4-[4-Methoxy-3-(3,4,5-trihydroxy-6-methyl-tetrahyd...)
Show SMILES COc1ccc(CCCC(O)=O)cc1C1OC(C)C(O)C(O)C1O
Show InChI InChI=1S/C17H24O7/c1-9-14(20)15(21)16(22)17(24-9)11-8-10(4-3-5-13(18)19)6-7-12(11)23-2/h6-9,14-17,20-22H,3-5H2,1-2H3,(H,18,19)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Sankyo Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against P-selectin IgG chimeras binding to sLex coating 96 wells using competitive cell-free ELISA assay was dete...

Bioorg Med Chem Lett 8: 3307-10 (1999)


BindingDB Entry DOI: 10.7270/Q2W0953H
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50403680
PNG
(CHEMBL2112520)
Show SMILES COc1ccc(cc1[C@H]1O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1O)C1(CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C20H28O7/c1-11-15(21)16(22)17(23)18(27-11)13-10-12(6-7-14(13)26-2)20(19(24)25)8-4-3-5-9-20/h6-7,10-11,15-18,21-23H,3-5,8-9H2,1-2H3,(H,24,25)/t11-,15+,16-,17-,18+/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Sankyo Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against P-selectin IgG chimeras binding to sLex coating 96 wells using competitive cell-free ELISA assay was dete...

Bioorg Med Chem Lett 8: 3307-10 (1999)


BindingDB Entry DOI: 10.7270/Q2W0953H
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50072618
PNG
(1-[4-Methoxy-3-(3,4,5-trihydroxy-tetrahydro-pyran-...)
Show SMILES COc1ccc(cc1C1OCC(O)C(O)C1O)C1(CCCCC1)C(O)=O
Show InChI InChI=1S/C19H26O7/c1-25-14-6-5-11(19(18(23)24)7-3-2-4-8-19)9-12(14)17-16(22)15(21)13(20)10-26-17/h5-6,9,13,15-17,20-22H,2-4,7-8,10H2,1H3,(H,23,24)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Sankyo Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against P-selectin IgG chimeras binding to sLex coating 96 wells using competitive cell-free ELISA assay was dete...

Bioorg Med Chem Lett 8: 3307-10 (1999)


BindingDB Entry DOI: 10.7270/Q2W0953H
More data for this
Ligand-Target Pair
L-selectin


(Homo sapiens (Human))		BDBM50072618
PNG
(1-[4-Methoxy-3-(3,4,5-trihydroxy-tetrahydro-pyran-...)
Show SMILES COc1ccc(cc1C1OCC(O)C(O)C1O)C1(CCCCC1)C(O)=O
Show InChI InChI=1S/C19H26O7/c1-25-14-6-5-11(19(18(23)24)7-3-2-4-8-19)9-12(14)17-16(22)15(21)13(20)10-26-17/h5-6,9,13,15-17,20-22H,2-4,7-8,10H2,1H3,(H,23,24)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Sankyo Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against L-selectin IgG chimeras binding to sLex coating 96 wells using competitive cell-free ELISA assay was dete...

Bioorg Med Chem Lett 8: 3307-10 (1999)


BindingDB Entry DOI: 10.7270/Q2W0953H
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50403679
PNG
(CHEMBL2111731)
Show SMILES COc1ccc(cc1[C@H]1O[C@@H](C)[C@H](O)[C@H](O)[C@@H]1O)C1(CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C20H28O7/c1-11-15(21)16(22)17(23)18(27-11)13-10-12(6-7-14(13)26-2)20(19(24)25)8-4-3-5-9-20/h6-7,10-11,15-18,21-23H,3-5,8-9H2,1-2H3,(H,24,25)/t11-,15-,16-,17-,18+/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Sankyo Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against P-selectin IgG chimeras binding to sLex coating 96 wells using competitive cell-free ELISA assay was dete...

Bioorg Med Chem Lett 8: 3307-10 (1999)


BindingDB Entry DOI: 10.7270/Q2W0953H
More data for this
Ligand-Target Pair
L-selectin


(Homo sapiens (Human))		BDBM50403679
PNG
(CHEMBL2111731)
Show SMILES COc1ccc(cc1[C@H]1O[C@@H](C)[C@H](O)[C@H](O)[C@@H]1O)C1(CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C20H28O7/c1-11-15(21)16(22)17(23)18(27-11)13-10-12(6-7-14(13)26-2)20(19(24)25)8-4-3-5-9-20/h6-7,10-11,15-18,21-23H,3-5,8-9H2,1-2H3,(H,24,25)/t11-,15-,16-,17-,18+/m0/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



Sankyo Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against L-selectin IgG chimeras binding to sLex coating 96 wells using competitive cell-free ELISA assay was dete...

Bioorg Med Chem Lett 8: 3307-10 (1999)


BindingDB Entry DOI: 10.7270/Q2W0953H
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50072622
PNG
(CHEMBL113316 | [3,4,5-Trimethoxy-2-(3,4,5-trihydro...)
Show SMILES COc1cc(CC(O)=O)c(C2OC(C)C(O)C(O)C2O)c(OC)c1OC
Show InChI InChI=1S/C17H24O9/c1-7-12(20)13(21)14(22)16(26-7)11-8(6-10(18)19)5-9(23-2)15(24-3)17(11)25-4/h5,7,12-14,16,20-22H,6H2,1-4H3,(H,18,19)
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n/an/a 4.00E+4n/an/an/an/an/an/a



Sankyo Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against P-selectin IgG chimeras binding to sLex coating 96 wells using competitive cell-free ELISA assay was dete...

Bioorg Med Chem Lett 8: 3307-10 (1999)


BindingDB Entry DOI: 10.7270/Q2W0953H
More data for this
Ligand-Target Pair
L-selectin


(Homo sapiens (Human))		BDBM50403680
PNG
(CHEMBL2112520)
Show SMILES COc1ccc(cc1[C@H]1O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1O)C1(CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C20H28O7/c1-11-15(21)16(22)17(23)18(27-11)13-10-12(6-7-14(13)26-2)20(19(24)25)8-4-3-5-9-20/h6-7,10-11,15-18,21-23H,3-5,8-9H2,1-2H3,(H,24,25)/t11-,15+,16-,17-,18+/m0/s1
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n/an/a 1.06E+5n/an/an/an/an/an/a



Sankyo Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against L-selectin IgG chimeras binding to sLex coating 96 wells using competitive cell-free ELISA assay was dete...

Bioorg Med Chem Lett 8: 3307-10 (1999)


BindingDB Entry DOI: 10.7270/Q2W0953H
More data for this
Ligand-Target Pair
L-selectin


(Homo sapiens (Human))		BDBM50072622
PNG
(CHEMBL113316 | [3,4,5-Trimethoxy-2-(3,4,5-trihydro...)
Show SMILES COc1cc(CC(O)=O)c(C2OC(C)C(O)C(O)C2O)c(OC)c1OC
Show InChI InChI=1S/C17H24O9/c1-7-12(20)13(21)14(22)16(26-7)11-8(6-10(18)19)5-9(23-2)15(24-3)17(11)25-4/h5,7,12-14,16,20-22H,6H2,1-4H3,(H,18,19)
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n/an/a 1.14E+5n/an/an/an/an/an/a



Sankyo Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against L-selectin IgG chimeras binding to sLex coating 96 wells using competitive cell-free ELISA assay was dete...

Bioorg Med Chem Lett 8: 3307-10 (1999)


BindingDB Entry DOI: 10.7270/Q2W0953H
More data for this
Ligand-Target Pair
L-selectin


(Homo sapiens (Human))		BDBM50072617
PNG
(4-[4-Methoxy-3-(3,4,5-trihydroxy-6-methyl-tetrahyd...)
Show SMILES COc1ccc(CCCC(O)=O)cc1C1OC(C)C(O)C(O)C1O
Show InChI InChI=1S/C17H24O7/c1-9-14(20)15(21)16(22)17(24-9)11-8-10(4-3-5-13(18)19)6-7-12(11)23-2/h6-9,14-17,20-22H,3-5H2,1-2H3,(H,18,19)
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n/an/a 1.70E+5n/an/an/an/an/an/a



Sankyo Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against L-selectin IgG chimeras binding to sLex coating 96 wells using competitive cell-free ELISA assay was dete...

Bioorg Med Chem Lett 8: 3307-10 (1999)


BindingDB Entry DOI: 10.7270/Q2W0953H
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50072621
PNG
(CHEMBL112485 | [4-Methoxy-3-(3,4,5-trihydroxy-6-me...)
Show SMILES COc1ccc(CC(O)=O)cc1C1OC(C)C(O)C(O)C1O
Show InChI InChI=1S/C15H20O7/c1-7-12(18)13(19)14(20)15(22-7)9-5-8(6-11(16)17)3-4-10(9)21-2/h3-5,7,12-15,18-20H,6H2,1-2H3,(H,16,17)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Sankyo Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Selectin E IgG chimeras binding to sLex coating 96 wells using competitive cell-free ELISA assay was dete...

Bioorg Med Chem Lett 8: 3307-10 (1999)


BindingDB Entry DOI: 10.7270/Q2W0953H
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50072620
PNG
(1-[4-Methoxy-3-(3,4,5-trihydroxy-6-hydroxymethyl-t...)
Show SMILES COc1ccc(cc1C1OC(CO)C(O)C(O)C1O)C1(CCCCC1)C(O)=O
Show InChI InChI=1S/C20H28O8/c1-27-13-6-5-11(20(19(25)26)7-3-2-4-8-20)9-12(13)18-17(24)16(23)15(22)14(10-21)28-18/h5-6,9,14-18,21-24H,2-4,7-8,10H2,1H3,(H,25,26)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Sankyo Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Selectin E IgG chimeras binding to sLex coating 96 wells using competitive cell-free ELISA assay was dete...

Bioorg Med Chem Lett 8: 3307-10 (1999)


BindingDB Entry DOI: 10.7270/Q2W0953H
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50072617
PNG
(4-[4-Methoxy-3-(3,4,5-trihydroxy-6-methyl-tetrahyd...)
Show SMILES COc1ccc(CCCC(O)=O)cc1C1OC(C)C(O)C(O)C1O
Show InChI InChI=1S/C17H24O7/c1-9-14(20)15(21)16(22)17(24-9)11-8-10(4-3-5-13(18)19)6-7-12(11)23-2/h6-9,14-17,20-22H,3-5H2,1-2H3,(H,18,19)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Sankyo Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Selectin E IgG chimeras binding to sLex coating 96 wells using competitive cell-free ELISA assay was dete...

Bioorg Med Chem Lett 8: 3307-10 (1999)


BindingDB Entry DOI: 10.7270/Q2W0953H
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50403680
PNG
(CHEMBL2112520)
Show SMILES COc1ccc(cc1[C@H]1O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1O)C1(CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C20H28O7/c1-11-15(21)16(22)17(23)18(27-11)13-10-12(6-7-14(13)26-2)20(19(24)25)8-4-3-5-9-20/h6-7,10-11,15-18,21-23H,3-5,8-9H2,1-2H3,(H,24,25)/t11-,15+,16-,17-,18+/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Sankyo Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Selectin E IgG chimeras binding to sLex coating 96 wells using competitive cell-free ELISA assay was dete...

Bioorg Med Chem Lett 8: 3307-10 (1999)


BindingDB Entry DOI: 10.7270/Q2W0953H
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50403679
PNG
(CHEMBL2111731)
Show SMILES COc1ccc(cc1[C@H]1O[C@@H](C)[C@H](O)[C@H](O)[C@@H]1O)C1(CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C20H28O7/c1-11-15(21)16(22)17(23)18(27-11)13-10-12(6-7-14(13)26-2)20(19(24)25)8-4-3-5-9-20/h6-7,10-11,15-18,21-23H,3-5,8-9H2,1-2H3,(H,24,25)/t11-,15-,16-,17-,18+/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Sankyo Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Selectin E IgG chimeras binding to sLex coating 96 wells using competitive cell-free ELISA assay was dete...

Bioorg Med Chem Lett 8: 3307-10 (1999)


BindingDB Entry DOI: 10.7270/Q2W0953H
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50072622
PNG
(CHEMBL113316 | [3,4,5-Trimethoxy-2-(3,4,5-trihydro...)
Show SMILES COc1cc(CC(O)=O)c(C2OC(C)C(O)C(O)C2O)c(OC)c1OC
Show InChI InChI=1S/C17H24O9/c1-7-12(20)13(21)14(22)16(26-7)11-8(6-10(18)19)5-9(23-2)15(24-3)17(11)25-4/h5,7,12-14,16,20-22H,6H2,1-4H3,(H,18,19)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Sankyo Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Selectin E IgG chimeras binding to sLex coating 96 wells using competitive cell-free ELISA assay was dete...

Bioorg Med Chem Lett 8: 3307-10 (1999)


BindingDB Entry DOI: 10.7270/Q2W0953H
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50072618
PNG
(1-[4-Methoxy-3-(3,4,5-trihydroxy-tetrahydro-pyran-...)
Show SMILES COc1ccc(cc1C1OCC(O)C(O)C1O)C1(CCCCC1)C(O)=O
Show InChI InChI=1S/C19H26O7/c1-25-14-6-5-11(19(18(23)24)7-3-2-4-8-19)9-12(14)17-16(22)15(21)13(20)10-26-17/h5-6,9,13,15-17,20-22H,2-4,7-8,10H2,1H3,(H,23,24)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Sankyo Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Selectin E IgG chimeras binding to sLex coating 96 wells using competitive cell-free ELISA assay was dete...

Bioorg Med Chem Lett 8: 3307-10 (1999)


BindingDB Entry DOI: 10.7270/Q2W0953H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%