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33 similar compounds to monomer 50008912

Compile data set for download or QSAR
Wt: 820.7
BDBM50450369
Purchase
Wt: 776.6
BDBM50008908
Wt: 1535.2
BDBM50008910
Wt: 1032.9
BDBM50051835
Wt: 1101.0
BDBM50051834
Wt: 1914.5
BDBM50008911
Wt: 749.6
BDBM50050456
Wt: 733.6
BDBM50050458
Wt: 790.7
BDBM50050461
Wt: 820.7
BDBM50056133
Wt: 309.2
BDBM50063302
Purchase
Wt: 1069.0
BDBM50072069
Wt: 309.2
BDBM50078332
Purchase
Wt: 309.2
BDBM50092141
Wt: 818.7
BDBM50168310
Displayed 1 to 15 (of 31 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 73 hits for monomerid = 50450369,50008908,50008910,50051835,50051834,50008911,50050456,50050458,50050461,50056133,50063302,50072069,50078332,50092141,50168310   
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
Leukocyte adhesion molecule-1


(Homo sapiens (Human))
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound was determined against Selectin L binding by ELISA assay


Bioorg Med Chem Lett 10: 1827-30 (2000)


Article DOI: 10.1016/s0960-894x(00)00358-9
BindingDB Entry DOI: 10.7270/Q2ZP46M8
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a 6.00E+5n/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound was determined against Selectin E binding by ELISA assay


Bioorg Med Chem Lett 10: 1827-30 (2000)


Article DOI: 10.1016/s0960-894x(00)00358-9
BindingDB Entry DOI: 10.7270/Q2ZP46M8
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound was determined against Selectin P binding by ELISA assay


Bioorg Med Chem Lett 10: 1827-30 (2000)


Article DOI: 10.1016/s0960-894x(00)00358-9
BindingDB Entry DOI: 10.7270/Q2ZP46M8
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/an/a 1.00E+6n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity of compound to Selectin E was determined


Bioorg Med Chem Lett 5: 2637-2642 (1995)


Article DOI: 10.1016/0960-894X(95)00469-A
BindingDB Entry DOI: 10.7270/Q25D8SBB
More data for this
Ligand-Target Pair
Selectin


(Homo sapiens (Human))
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a 1.09E+6n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested in a cell-free SLe-polyacrylamide glycoconjugate binding assay (assay B) in Selectin E


Bioorg Med Chem Lett 8: 2333-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00422-3
BindingDB Entry DOI: 10.7270/Q2NV9JR1
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a>3.00E+6n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Tested in a cell-free SLe-polyacrylamide glycoconjugate binding assay (assay A) in P-selectin


Bioorg Med Chem Lett 8: 2333-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00422-3
BindingDB Entry DOI: 10.7270/Q2NV9JR1
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a 4.80E+5n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested in a cell-free SLe-polyacrylamide glycoconjugate binding assay (assay B) in Selectin E


Bioorg Med Chem Lett 8: 2333-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00422-3
BindingDB Entry DOI: 10.7270/Q2NV9JR1
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a 1.30E+6n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested in a cell-free SLe-polyacrylamide glycoconjugate binding assay (assay B) in P-selectin; value ranges from 1.3-2


Bioorg Med Chem Lett 8: 2333-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00422-3
BindingDB Entry DOI: 10.7270/Q2NV9JR1
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Compound was evaluated for the Selectin E binding activity.


Bioorg Med Chem Lett 8: 2803-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00500-9
BindingDB Entry DOI: 10.7270/Q2RN38CC
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a 5.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit sialyl Lewis X binding to Selectin E was determined


Bioorg Med Chem Lett 6: 2755-2760 (1996)


Article DOI: 10.1016/S0960-894X(96)00509-4
BindingDB Entry DOI: 10.7270/Q2CV4J8C
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a 3.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit the binding to recombinant human Selectin E immobilized on SPA beads of radiolabeled HL60 cell membran...


Bioorg Med Chem Lett 6: 239-244 (1996)


Article DOI: 10.1016/0960-894X(96)00008-X
BindingDB Entry DOI: 10.7270/Q2VT1SMM
More data for this
Ligand-Target Pair
Selectin E


(Mus musculus)
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a 3.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit sialyl Lewis X dependent binding of HL-60 cells to Selectin E fusion protein


Bioorg Med Chem Lett 6: 569-572 (1996)


Article DOI: 10.1016/0960-894X(96)00071-6
BindingDB Entry DOI: 10.7270/Q2Q81D24
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a 3.00E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against binding of Selectin E to human recombinant AGP (alpha-1 acid glycoprotein) containing sLex derivative


Bioorg Med Chem Lett 11: 151-5 (2001)


Article DOI: 10.1016/s0960-894x(00)00623-5
BindingDB Entry DOI: 10.7270/Q2G73F71
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a 5.00E+6n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Concentration required to inhibit the interaction of Selectin E and HL-60 cells


Bioorg Med Chem Lett 11: 1109-12 (2001)


Article DOI: 10.1016/s0960-894x(01)00130-5
BindingDB Entry DOI: 10.7270/Q28C9WSC
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a 5.00E+6n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Concentration required to inhibit the interaction of Selectin P and HL-60 cells


Bioorg Med Chem Lett 11: 1109-12 (2001)


Article DOI: 10.1016/s0960-894x(01)00130-5
BindingDB Entry DOI: 10.7270/Q28C9WSC
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a 7.00E+5n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibitory concentration against E-selectin


Bioorg Med Chem Lett 11: 1587-90 (2001)


Article DOI: 10.1016/s0960-894x(01)00276-1
BindingDB Entry DOI: 10.7270/Q2BP03BB
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a 3.00E+6n/an/an/an/an/an/a



Texas Biotechnology Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of HL60 (human leukemia) cell binding to human recombinant e-selectin.


J Med Chem 38: 4976-84 (1996)


Article DOI: 10.1021/jm00026a004
BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
Leukocyte adhesion molecule-1


(Mus musculus)
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a 2.00E+6n/an/an/an/an/an/a



Texas Biotechnology Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against sialyl Lewis X expressing HL60 cell binding Selectin L


J Med Chem 38: 4976-84 (1996)


Article DOI: 10.1021/jm00026a004
BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a 2.00E+6n/an/an/an/an/an/a



Texas Biotechnology Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against sialyl Lewis X expressing HL60 cell binding Selectin P


J Med Chem 38: 4976-84 (1996)


Article DOI: 10.1021/jm00026a004
BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
Leukocyte adhesion molecule-1


(Homo sapiens (Human))
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



New Drug Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory concentration against blocking of Selectin L during migration of inflammatory cells to inflammatory site


J Med Chem 39: 2055-9 (1996)


Article DOI: 10.1021/jm950877m
BindingDB Entry DOI: 10.7270/Q2KH0P0B
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a 6.00E+5n/an/an/an/an/an/a



New Drug Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory concentration against blocking of E-selectin during migration of inflammatory cells to inflammatory site


J Med Chem 39: 2055-9 (1996)


Article DOI: 10.1021/jm950877m
BindingDB Entry DOI: 10.7270/Q2KH0P0B
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



New Drug Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory concentration against blocking of Selectin P during migration of inflammatory cells to inflammatory site


J Med Chem 39: 2055-9 (1996)


Article DOI: 10.1021/jm950877m
BindingDB Entry DOI: 10.7270/Q2KH0P0B
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Institute of Cancer Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human chimeric Selectin P-Ig


J Med Chem 39: 1339-43 (1996)


Article DOI: 10.1021/jm9506478
BindingDB Entry DOI: 10.7270/Q2513ZWW
More data for this
Ligand-Target Pair
Leukocyte adhesion molecule-1


(Homo sapiens (Human))
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Institute of Cancer Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human chimeric L-selectin-Ig


J Med Chem 39: 1339-43 (1996)


Article DOI: 10.1021/jm9506478
BindingDB Entry DOI: 10.7270/Q2513ZWW
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a 6.00E+5n/an/an/an/an/an/a



Institute of Cancer Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human chimeric E-selectin-Ig


J Med Chem 39: 1339-43 (1996)


Article DOI: 10.1021/jm9506478
BindingDB Entry DOI: 10.7270/Q2513ZWW
More data for this
Ligand-Target Pair
P-selectin


(Mus musculus)
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Kanebo

Curated by ChEMBL


Assay Description
Blocking activity using seletin-IgG chimeras in a Selectin P competitive binding assay.


J Med Chem 40: 3534-41 (1997)


Article DOI: 10.1021/jm970262k
BindingDB Entry DOI: 10.7270/Q2NP253K
More data for this
Ligand-Target Pair
Leukocyte adhesion molecule-1


(Mus musculus)
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Kanebo

Curated by ChEMBL


Assay Description
Blocking activity using seletin-IgG chimeras in a Selectin L competitive binding assay.


J Med Chem 40: 3534-41 (1997)


Article DOI: 10.1021/jm970262k
BindingDB Entry DOI: 10.7270/Q2NP253K
More data for this
Ligand-Target Pair
Selectin E


(Mus musculus)
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a 6.00E+5n/an/an/an/an/an/a



Kanebo

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Selectin E-sialyl Lewis X (sLex) binding


J Med Chem 40: 3534-41 (1997)


Article DOI: 10.1021/jm970262k
BindingDB Entry DOI: 10.7270/Q2NP253K
More data for this
Ligand-Target Pair
Leukocyte adhesion molecule-1


(Homo sapiens (Human))
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Kanebo

Curated by ChEMBL


Assay Description
Inhibition of Selectin L binding


J Med Chem 41: 4279-87 (1998)


Article DOI: 10.1021/jm980267x
BindingDB Entry DOI: 10.7270/Q2474BHN
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a 6.00E+5n/an/an/an/an/an/a



Kanebo

Curated by ChEMBL


Assay Description
Displacement of sialyl Lewis X (sLex) from selectin E


J Med Chem 41: 4279-87 (1998)


Article DOI: 10.1021/jm980267x
BindingDB Entry DOI: 10.7270/Q2474BHN
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Kanebo

Curated by ChEMBL


Assay Description
Inhibition of Selectin P binding


J Med Chem 41: 4279-87 (1998)


Article DOI: 10.1021/jm980267x
BindingDB Entry DOI: 10.7270/Q2474BHN
More data for this
Ligand-Target Pair
Leukocyte adhesion molecule-1


(Homo sapiens (Human))
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a 3.50E+6n/an/an/an/an/an/a



Texas Biotechnology Corporation

Curated by ChEMBL


Assay Description
Tested in vitro for the concentration to inhibit sLex bearing HL-60 cells binding to Selectin L-IgG fusion proteins


J Med Chem 41: 1099-111 (1998)


Article DOI: 10.1021/jm9704917
BindingDB Entry DOI: 10.7270/Q2BP03G4
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a 3.30E+6n/an/an/an/an/an/a



Texas Biotechnology Corporation

Curated by ChEMBL


Assay Description
Tested in vitro for the concentration to inhibit sLex bearing HL-60 cells binding to Selectin E-IgG fusion proteins by 50%.


J Med Chem 41: 1099-111 (1998)


Article DOI: 10.1021/jm9704917
BindingDB Entry DOI: 10.7270/Q2BP03G4
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a 3.40E+6n/an/an/an/an/an/a



Texas Biotechnology Corporation

Curated by ChEMBL


Assay Description
Tested in vitro for the concentration to inhibit sLex bearing HL-60 cells binding to Selectin P-IgG fusion proteins


J Med Chem 41: 1099-111 (1998)


Article DOI: 10.1021/jm9704917
BindingDB Entry DOI: 10.7270/Q2BP03G4
More data for this
Ligand-Target Pair
CD44 antigen


(Homo sapiens (Human))
BDBM50008908
PNG
(CHEMBL3237619)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3C(O)=O)[C@@H]2NC(C)=O)O[C@@H]1C(O)=O
Show InChI InChI=1/C28H44N2O23/c1-5(33)29-9-13(37)11(35)7(3-31)47-26(9)51-20-15(39)17(41)28(53-22(20)24(44)45)50-18-10(30-6(2)34)27(48-8(4-32)12(18)36)52-19-14(38)16(40)25(46)49-21(19)23(42)43/h7-22,25-28,31-32,35-41,46H,3-4H2,1-2H3,(H,29,33)(H,30,34)(H,42,43)(H,44,45)/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21+,22+,25-,26+,27+,28-/s2
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n/an/an/a 2.45E+5n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to immobilized recombinant human CD44 hyaluronan binding domain by surface plasmon resonance assay


J Med Chem 57: 2714-25 (2014)


Article DOI: 10.1021/jm5000276
BindingDB Entry DOI: 10.7270/Q2MG7R2P
More data for this
Ligand-Target Pair
CD44 antigen


(Homo sapiens (Human))
BDBM50008910
PNG
(CHEMBL3237621)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](CO)O[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)O[C@@H]7C(O)=O)[C@@H]6NC(C)=O)O[C@@H]5C(O)=O)[C@@H]4NC(C)=O)O[C@@H]3C(O)=O)[C@@H]2NC(C)=O)O[C@@H]1C(O)=O
Show InChI InChI=1/C56H86N4O45/c1-9(65)57-17-25(73)21(69)13(5-61)91-50(17)99-38-27(75)31(79)54(103-42(38)46(84)85)97-35-19(59-11(3)67)52(93-15(7-63)23(35)71)101-40-29(77)33(81)56(105-44(40)48(88)89)98-36-20(60-12(4)68)53(94-16(8-64)24(36)72)102-39-28(76)32(80)55(104-43(39)47(86)87)96-34-18(58-10(2)66)51(92-14(6-62)22(34)70)100-37-26(74)30(78)49(90)95-41(37)45(82)83/h13-44,49-56,61-64,69-81,90H,5-8H2,1-4H3,(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H,82,83)(H,84,85)(H,86,87)(H,88,89)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37+,38+,39+,40+,41+,42+,43+,44+,49-,50+,51+,52+,53+,54-,55-,56-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
CHEMBL
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PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.67E+4n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to immobilized recombinant human CD44 hyaluronan binding domain by surface plasmon resonance assay


J Med Chem 57: 2714-25 (2014)


Article DOI: 10.1021/jm5000276
BindingDB Entry DOI: 10.7270/Q2MG7R2P
More data for this
Ligand-Target Pair
CD44 antigen


(Homo sapiens (Human))
BDBM50008911
PNG
(CHEMBL3237622)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](CO)O[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O[C@H]8[C@H](O)[C@@H](CO)O[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@H](O)O[C@@H]9C(O)=O)[C@@H]8NC(C)=O)O[C@@H]7C(O)=O)[C@@H]6NC(C)=O)O[C@@H]5C(O)=O)[C@@H]4NC(C)=O)O[C@@H]3C(O)=O)[C@@H]2NC(C)=O)O[C@@H]1C(O)=O
Show InChI InChI=1/C70H107N5O56/c1-11(81)71-21-31(91)26(86)16(6-76)113-62(21)123-47-33(93)38(98)67(128-52(47)57(104)105)120-43-23(73-13(3)83)64(115-18(8-78)28(43)88)125-49-35(95)40(100)69(130-54(49)59(108)109)122-45-25(75-15(5)85)66(117-20(10-80)30(45)90)127-50-36(96)41(101)70(131-55(50)60(110)111)121-44-24(74-14(4)84)65(116-19(9-79)29(44)89)126-48-34(94)39(99)68(129-53(48)58(106)107)119-42-22(72-12(2)82)63(114-17(7-77)27(42)87)124-46-32(92)37(97)61(112)118-51(46)56(102)103/h16-55,61-70,76-80,86-101,112H,6-10H2,1-5H3,(H,71,81)(H,72,82)(H,73,83)(H,74,84)(H,75,85)(H,102,103)(H,104,105)(H,106,107)(H,108,109)(H,110,111)/t16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,61-,62+,63+,64+,65+,66+,67-,68-,69-,70-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC sid
UniChem

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Similars

Article
PubMed
n/an/an/a 1.15E+4n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to immobilized recombinant human CD44 hyaluronan binding domain by surface plasmon resonance assay


J Med Chem 57: 2714-25 (2014)


Article DOI: 10.1021/jm5000276
BindingDB Entry DOI: 10.7270/Q2MG7R2P
More data for this
Ligand-Target Pair
CD44 antigen


(Mus musculus)
BDBM50008908
PNG
(CHEMBL3237619)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3C(O)=O)[C@@H]2NC(C)=O)O[C@@H]1C(O)=O
Show InChI InChI=1/C28H44N2O23/c1-5(33)29-9-13(37)11(35)7(3-31)47-26(9)51-20-15(39)17(41)28(53-22(20)24(44)45)50-18-10(30-6(2)34)27(48-8(4-32)12(18)36)52-19-14(38)16(40)25(46)49-21(19)23(42)43/h7-22,25-28,31-32,35-41,46H,3-4H2,1-2H3,(H,29,33)(H,30,34)(H,42,43)(H,44,45)/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21+,22+,25-,26+,27+,28-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/an/a 4.28E+5n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to immobilized recombinant mouse CD44 hyaluronan binding domain by surface plasmon resonance assay


J Med Chem 57: 2714-25 (2014)


Article DOI: 10.1021/jm5000276
BindingDB Entry DOI: 10.7270/Q2MG7R2P
More data for this
Ligand-Target Pair
CD44 antigen


(Mus musculus)
BDBM50008910
PNG
(CHEMBL3237621)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](CO)O[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)O[C@@H]7C(O)=O)[C@@H]6NC(C)=O)O[C@@H]5C(O)=O)[C@@H]4NC(C)=O)O[C@@H]3C(O)=O)[C@@H]2NC(C)=O)O[C@@H]1C(O)=O
Show InChI InChI=1/C56H86N4O45/c1-9(65)57-17-25(73)21(69)13(5-61)91-50(17)99-38-27(75)31(79)54(103-42(38)46(84)85)97-35-19(59-11(3)67)52(93-15(7-63)23(35)71)101-40-29(77)33(81)56(105-44(40)48(88)89)98-36-20(60-12(4)68)53(94-16(8-64)24(36)72)102-39-28(76)32(80)55(104-43(39)47(86)87)96-34-18(58-10(2)66)51(92-14(6-62)22(34)70)100-37-26(74)30(78)49(90)95-41(37)45(82)83/h13-44,49-56,61-64,69-81,90H,5-8H2,1-4H3,(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H,82,83)(H,84,85)(H,86,87)(H,88,89)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37+,38+,39+,40+,41+,42+,43+,44+,49-,50+,51+,52+,53+,54-,55-,56-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/a 3.27E+4n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to immobilized recombinant mouse CD44 hyaluronan binding domain by surface plasmon resonance assay


J Med Chem 57: 2714-25 (2014)


Article DOI: 10.1021/jm5000276
BindingDB Entry DOI: 10.7270/Q2MG7R2P
More data for this
Ligand-Target Pair
CD44 antigen


(Mus musculus)
BDBM50008911
PNG
(CHEMBL3237622)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](CO)O[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O[C@H]8[C@H](O)[C@@H](CO)O[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@H](O)O[C@@H]9C(O)=O)[C@@H]8NC(C)=O)O[C@@H]7C(O)=O)[C@@H]6NC(C)=O)O[C@@H]5C(O)=O)[C@@H]4NC(C)=O)O[C@@H]3C(O)=O)[C@@H]2NC(C)=O)O[C@@H]1C(O)=O
Show InChI InChI=1/C70H107N5O56/c1-11(81)71-21-31(91)26(86)16(6-76)113-62(21)123-47-33(93)38(98)67(128-52(47)57(104)105)120-43-23(73-13(3)83)64(115-18(8-78)28(43)88)125-49-35(95)40(100)69(130-54(49)59(108)109)122-45-25(75-15(5)85)66(117-20(10-80)30(45)90)127-50-36(96)41(101)70(131-55(50)60(110)111)121-44-24(74-14(4)84)65(116-19(9-79)29(44)89)126-48-34(94)39(99)68(129-53(48)58(106)107)119-42-22(72-12(2)82)63(114-17(7-77)27(42)87)124-46-32(92)37(97)61(112)118-51(46)56(102)103/h16-55,61-70,76-80,86-101,112H,6-10H2,1-5H3,(H,71,81)(H,72,82)(H,73,83)(H,74,84)(H,75,85)(H,102,103)(H,104,105)(H,106,107)(H,108,109)(H,110,111)/t16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,61-,62+,63+,64+,65+,66+,67-,68-,69-,70-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
KEGG
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PC sid
UniChem

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Article
PubMed
n/an/an/a 2.17E+4n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to immobilized recombinant mouse CD44 hyaluronan binding domain by surface plasmon resonance assay


J Med Chem 57: 2714-25 (2014)


Article DOI: 10.1021/jm5000276
BindingDB Entry DOI: 10.7270/Q2MG7R2P
More data for this
Ligand-Target Pair
CD44 antigen


(Homo sapiens (Human))
BDBM50008908
PNG
(CHEMBL3237619)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3C(O)=O)[C@@H]2NC(C)=O)O[C@@H]1C(O)=O
Show InChI InChI=1/C28H44N2O23/c1-5(33)29-9-13(37)11(35)7(3-31)47-26(9)51-20-15(39)17(41)28(53-22(20)24(44)45)50-18-10(30-6(2)34)27(48-8(4-32)12(18)36)52-19-14(38)16(40)25(46)49-21(19)23(42)43/h7-22,25-28,31-32,35-41,46H,3-4H2,1-2H3,(H,29,33)(H,30,34)(H,42,43)(H,44,45)/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21+,22+,25-,26+,27+,28-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.32E+6n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hyaluronan binding domain of CD44 binding to immobilized polymeric hyaluronan by surface plasmon resonance assay


J Med Chem 57: 2714-25 (2014)


Article DOI: 10.1021/jm5000276
BindingDB Entry DOI: 10.7270/Q2MG7R2P
More data for this
Ligand-Target Pair
CD44 antigen


(Homo sapiens (Human))
BDBM50008910
PNG
(CHEMBL3237621)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](CO)O[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)O[C@@H]7C(O)=O)[C@@H]6NC(C)=O)O[C@@H]5C(O)=O)[C@@H]4NC(C)=O)O[C@@H]3C(O)=O)[C@@H]2NC(C)=O)O[C@@H]1C(O)=O
Show InChI InChI=1/C56H86N4O45/c1-9(65)57-17-25(73)21(69)13(5-61)91-50(17)99-38-27(75)31(79)54(103-42(38)46(84)85)97-35-19(59-11(3)67)52(93-15(7-63)23(35)71)101-40-29(77)33(81)56(105-44(40)48(88)89)98-36-20(60-12(4)68)53(94-16(8-64)24(36)72)102-39-28(76)32(80)55(104-43(39)47(86)87)96-34-18(58-10(2)66)51(92-14(6-62)22(34)70)100-37-26(74)30(78)49(90)95-41(37)45(82)83/h13-44,49-56,61-64,69-81,90H,5-8H2,1-4H3,(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H,82,83)(H,84,85)(H,86,87)(H,88,89)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37+,38+,39+,40+,41+,42+,43+,44+,49-,50+,51+,52+,53+,54-,55-,56-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 6.50E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hyaluronan binding domain of CD44 binding to immobilized polymeric hyaluronan by surface plasmon resonance assay


J Med Chem 57: 2714-25 (2014)


Article DOI: 10.1021/jm5000276
BindingDB Entry DOI: 10.7270/Q2MG7R2P
More data for this
Ligand-Target Pair
CD44 antigen


(Homo sapiens (Human))
BDBM50008911
PNG
(CHEMBL3237622)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](CO)O[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O[C@H]8[C@H](O)[C@@H](CO)O[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@H](O)O[C@@H]9C(O)=O)[C@@H]8NC(C)=O)O[C@@H]7C(O)=O)[C@@H]6NC(C)=O)O[C@@H]5C(O)=O)[C@@H]4NC(C)=O)O[C@@H]3C(O)=O)[C@@H]2NC(C)=O)O[C@@H]1C(O)=O
Show InChI InChI=1/C70H107N5O56/c1-11(81)71-21-31(91)26(86)16(6-76)113-62(21)123-47-33(93)38(98)67(128-52(47)57(104)105)120-43-23(73-13(3)83)64(115-18(8-78)28(43)88)125-49-35(95)40(100)69(130-54(49)59(108)109)122-45-25(75-15(5)85)66(117-20(10-80)30(45)90)127-50-36(96)41(101)70(131-55(50)60(110)111)121-44-24(74-14(4)84)65(116-19(9-79)29(44)89)126-48-34(94)39(99)68(129-53(48)58(106)107)119-42-22(72-12(2)82)63(114-17(7-77)27(42)87)124-46-32(92)37(97)61(112)118-51(46)56(102)103/h16-55,61-70,76-80,86-101,112H,6-10H2,1-5H3,(H,71,81)(H,72,82)(H,73,83)(H,74,84)(H,75,85)(H,102,103)(H,104,105)(H,106,107)(H,108,109)(H,110,111)/t16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,61-,62+,63+,64+,65+,66+,67-,68-,69-,70-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC sid
UniChem

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Article
PubMed
n/an/a 4.80E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human hyaluronan binding domain of CD44 binding to immobilized polymeric hyaluronan by surface plasmon resonance assay


J Med Chem 57: 2714-25 (2014)


Article DOI: 10.1021/jm5000276
BindingDB Entry DOI: 10.7270/Q2MG7R2P
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50051834
PNG
(CHEMBL2368518 | Ethyl(Sodium 5-actamido-3,5-dideox...)
Show SMILES [Na+].CCO[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O[C@@H]3O[C@@H](CO)[C@H](O)[C@H](O[C@@]4(C[C@@H](O)[C@@H](NC(C)=O)[C@@H](O4)[C@H](O)[C@H](O)CO)C([O-])=O)[C@@H]3O)[C@H](O[C@@H]3O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2NC(=O)C2CCCCC2)[C@@H]1O
Show InChI InChI=1S/C44H74N2O28.Na/c1-4-65-40-31(60)36(27(56)20(12-48)67-40)72-39-24(46-38(62)17-8-6-5-7-9-17)35(71-41-30(59)29(58)25(54)15(2)66-41)33(22(14-50)69-39)70-42-32(61)37(28(57)21(13-49)68-42)74-44(43(63)64)10-18(52)23(45-16(3)51)34(73-44)26(55)19(53)11-47;/h15,17-37,39-42,47-50,52-61H,4-14H2,1-3H3,(H,45,51)(H,46,62)(H,63,64);/q;+1/p-1/t15-,18+,19+,20-,21-,22-,23+,24-,25+,26+,27-,28-,29-,30-,31-,32-,33+,34+,35+,36-,37-,39-,40+,41-,42-,44-;/m0./s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem

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Article
PubMed
n/an/a 2.90E+6n/an/an/an/an/an/a



Cytel Corporation

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of E-selectin-mediated cellular adhesion


J Med Chem 39: 1357-60 (1996)


Article DOI: 10.1021/jm9600611
BindingDB Entry DOI: 10.7270/Q22R3QQ2
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50051835
PNG
(CHEMBL2368520 | Ethyl(Sodium 5-actamido-3,5-dideox...)
Show SMILES [Na+].CCO[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O[C@@H]3O[C@@H](CO)[C@H](O)[C@H](O[C@@]4(C[C@@H](O)[C@@H](NC(C)=O)[C@@H](O4)[C@H](O)[C@H](O)CO)C([O-])=O)[C@@H]3O)[C@H](O[C@@H]3O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2NC(C)=O)[C@@H]1O
Show InChI InChI=1S/C39H66N2O28.Na/c1-5-60-35-27(56)32(23(52)16(8-43)62-35)67-34-20(41-13(4)47)31(66-36-26(55)25(54)21(50)11(2)61-36)29(18(10-45)64-34)65-37-28(57)33(24(53)17(9-44)63-37)69-39(38(58)59)6-14(48)19(40-12(3)46)30(68-39)22(51)15(49)7-42;/h11,14-37,42-45,48-57H,5-10H2,1-4H3,(H,40,46)(H,41,47)(H,58,59);/q;+1/p-1/t11-,14+,15+,16-,17-,18-,19+,20-,21+,22+,23-,24-,25-,26-,27-,28-,29+,30+,31+,32-,33-,34-,35+,36-,37-,39-;/m0./s1
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n/an/a 1.00E+6n/an/an/an/an/an/a



Cytel Corporation

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of E-selectin-mediated cellular adhesion


J Med Chem 39: 1357-60 (1996)


Article DOI: 10.1021/jm9600611
BindingDB Entry DOI: 10.7270/Q22R3QQ2
More data for this
Ligand-Target Pair
Leukocyte adhesion molecule-1


(Homo sapiens (Human))
BDBM50056133
PNG
(5-Acetylamino-2-(3,5-dihydroxy-2-hydroxymethyl-6-N...)
Show SMILES CC1OC(OC2C(NC(C)=O)[C@@H](O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C2O)C(O)C(O)C1O
Show InChI InChI=1S/C31H52N2O23/c1-8-17(41)20(44)21(45)28(50-8)54-25-16(33-10(3)38)27(47)51-14(7-36)23(25)53-29-22(46)26(19(43)13(6-35)52-29)56-31(30(48)49)4-11(39)15(32-9(2)37)24(55-31)18(42)12(40)5-34/h8,11-29,34-36,39-47H,4-7H2,1-3H3,(H,32,37)(H,33,38)(H,48,49)/t8?,11?,12-,13?,14?,15?,16?,17?,18-,19?,20?,21?,22?,23?,24?,25?,26?,27+,28?,29?,31?/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Selectin L expressed in endothelial cells


J Med Chem 40: 362-9 (1997)


Article DOI: 10.1021/jm9606103
BindingDB Entry DOI: 10.7270/Q2QV3KM0
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50056133
PNG
(5-Acetylamino-2-(3,5-dihydroxy-2-hydroxymethyl-6-N...)
Show SMILES CC1OC(OC2C(NC(C)=O)[C@@H](O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C2O)C(O)C(O)C1O
Show InChI InChI=1S/C31H52N2O23/c1-8-17(41)20(44)21(45)28(50-8)54-25-16(33-10(3)38)27(47)51-14(7-36)23(25)53-29-22(46)26(19(43)13(6-35)52-29)56-31(30(48)49)4-11(39)15(32-9(2)37)24(55-31)18(42)12(40)5-34/h8,11-29,34-36,39-47H,4-7H2,1-3H3,(H,32,37)(H,33,38)(H,48,49)/t8?,11?,12-,13?,14?,15?,16?,17?,18-,19?,20?,21?,22?,23?,24?,25?,26?,27+,28?,29?,31?/m1/s1
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n/an/a 6.00E+5n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against E-selectin expressed in endothelial cells


J Med Chem 40: 362-9 (1997)


Article DOI: 10.1021/jm9606103
BindingDB Entry DOI: 10.7270/Q2QV3KM0
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50056133
PNG
(5-Acetylamino-2-(3,5-dihydroxy-2-hydroxymethyl-6-N...)
Show SMILES CC1OC(OC2C(NC(C)=O)[C@@H](O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C2O)C(O)C(O)C1O
Show InChI InChI=1S/C31H52N2O23/c1-8-17(41)20(44)21(45)28(50-8)54-25-16(33-10(3)38)27(47)51-14(7-36)23(25)53-29-22(46)26(19(43)13(6-35)52-29)56-31(30(48)49)4-11(39)15(32-9(2)37)24(55-31)18(42)12(40)5-34/h8,11-29,34-36,39-47H,4-7H2,1-3H3,(H,32,37)(H,33,38)(H,48,49)/t8?,11?,12-,13?,14?,15?,16?,17?,18-,19?,20?,21?,22?,23?,24?,25?,26?,27+,28?,29?,31?/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Selectin P expressed in endothelial cells


J Med Chem 40: 362-9 (1997)


Article DOI: 10.1021/jm9606103
BindingDB Entry DOI: 10.7270/Q2QV3KM0
More data for this
Ligand-Target Pair
Selectin E


(Rattus norvegicus)
BDBM50072069
PNG
(CHEMBL3215346 | CHEMBL384874 | Sialyl Lewis X anal...)
Show SMILES CCOCCOCCOCCOCCOCCO[C@@H]1O[C@@H](CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]2O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1NC(C)=O
Show InChI InChI=1S/C43H76N2O28/c1-5-61-6-7-62-8-9-63-10-11-64-12-13-65-14-15-66-39-28(45-22(4)50)37(71-40-33(57)32(56)29(53)20(2)67-40)35(26(19-48)69-39)70-41-34(58)38(31(55)25(18-47)68-41)73-43(42(59)60)16-23(51)27(44-21(3)49)36(72-43)30(54)24(52)17-46/h20,23-41,46-48,51-58H,5-19H2,1-4H3,(H,44,49)(H,45,50)(H,59,60)/t20-,23+,24+,25-,26-,27+,28-,29+,30+,31-,32-,33-,34-,35+,36+,37+,38-,39+,40-,41-,43-/m0/s1
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n/an/a 2.63E+3n/an/an/an/an/an/a



Drug Delivery System Institute, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Selectin E expressed at the inflammatory lesion was measured by inhibition of leukocyte rolling in the inflammatory ...


Bioorg Med Chem Lett 8: 2783-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00488-0
BindingDB Entry DOI: 10.7270/Q2B56HX1
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM50078332
PNG
((2S,4R,5S,6S)-5-Acetylamino-2,4-dihydroxy-6-((1R,2...)
Show SMILES CC(=O)N[C@H]1[C@H](O)C[C@](O)(O[C@@H]1[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6-,7+,8-,9+,11+/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against H1N9 Influenza A Neuraminidase.


J Med Chem 42: 2332-43 (1999)


Article DOI: 10.1021/jm980707k
BindingDB Entry DOI: 10.7270/Q25B01NJ
More data for this
Ligand-Target Pair
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