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PubMed code 9544210

Compile data set for download or QSAR
Found 46 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
P-selectin


(Homo sapiens (Human))		BDBM50422287
PNG
(CHEMBL2303881)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(CCCCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C46H54O16/c47-23-35-39(53)41(55)43(57)45(61-35)59-33-15-13-25(19-31(33)29-11-5-9-27(17-29)21-37(49)50)7-3-1-2-4-8-26-14-16-34(60-46-44(58)42(56)40(54)36(24-48)62-46)32(20-26)30-12-6-10-28(18-30)22-38(51)52/h5-6,9-20,35-36,39-48,53-58H,1-4,7-8,21-24H2,(H,49,50)(H,51,52)/t35-,36-,39-,40-,41-,42-,43+,44+,45+,46+/m1/s1
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n/an/a 7.00E+4n/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
P-selectin


(Homo sapiens (Human))		BDBM50422288
PNG
(CHEMBL2303876)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(Cc3cc(Cc4ccc(O[C@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)c(c4)-c4cccc(CC(O)=O)c4)cc(Cc4ccc(O[C@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)c(c4)-c4cccc(CC(O)=O)c4)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C69H72O24/c70-31-52-58(79)61(82)64(85)67(91-52)88-49-13-10-37(25-46(49)43-7-1-4-34(22-43)28-55(73)74)16-40-19-41(17-38-11-14-50(89-68-65(86)62(83)59(80)53(32-71)92-68)47(26-38)44-8-2-5-35(23-44)29-56(75)76)21-42(20-40)18-39-12-15-51(90-69-66(87)63(84)60(81)54(33-72)93-69)48(27-39)45-9-3-6-36(24-45)30-57(77)78/h1-15,19-27,52-54,58-72,79-87H,16-18,28-33H2,(H,73,74)(H,75,76)(H,77,78)/t52-,53-,54-,58-,59-,60-,61-,62-,63-,64+,65+,66+,67+,68+,69+/m1/s1
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n/an/a 2.00E+5n/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
P-selectin


(Homo sapiens (Human))		BDBM50422294
PNG
(CHEMBL2303889)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(Cc3cccc(Cc4ccc(O[C@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)c(c4)-c4cccc(CC(O)=O)c4)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C48H50O16/c49-23-37-41(55)43(57)45(59)47(63-37)61-35-12-10-29(19-33(35)31-8-2-6-27(17-31)21-39(51)52)15-25-4-1-5-26(14-25)16-30-11-13-36(62-48-46(60)44(58)42(56)38(24-50)64-48)34(20-30)32-9-3-7-28(18-32)22-40(53)54/h1-14,17-20,37-38,41-50,55-60H,15-16,21-24H2,(H,51,52)(H,53,54)/t37-,38-,41-,42-,43-,44-,45+,46+,47+,48+/m1/s1
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n/an/a 2.25E+5n/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
E-selectin


(Homo sapiens (Human))		BDBM50422286
PNG
(CHEMBL2303879)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(CCCCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)cc2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C38H48O14/c39-19-28-31(43)33(45)35(47)37(51-28)49-25-13-10-21(11-14-25)6-3-1-2-4-7-22-12-15-27(50-38-36(48)34(46)32(44)29(20-40)52-38)26(17-22)24-9-5-8-23(16-24)18-30(41)42/h5,8-17,28-29,31-40,43-48H,1-4,6-7,18-20H2,(H,41,42)/t28-,29-,31-,32-,33-,34-,35+,36+,37+,38+/m1/s1
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n/an/a 3.00E+5n/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
L-selectin


(Homo sapiens (Human))		BDBM50422284
PNG
(CHEMBL2303890)
Show SMILES OCC1O[C@H](Oc2ccc(CCCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C45H52O16/c46-22-34-38(52)40(54)42(56)44(60-34)58-32-14-12-24(18-30(32)28-10-4-8-26(16-28)20-36(48)49)6-2-1-3-7-25-13-15-33(59-45-43(57)41(55)39(53)35(23-47)61-45)31(19-25)29-11-5-9-27(17-29)21-37(50)51/h4-5,8-19,34-35,38-47,52-57H,1-3,6-7,20-23H2,(H,48,49)(H,50,51)/t34-,35?,38-,39-,40-,41-,42+,43+,44+,45+/m1/s1
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n/an/a 3.00E+5n/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
P-selectin


(Homo sapiens (Human))		BDBM50422284
PNG
(CHEMBL2303890)
Show SMILES OCC1O[C@H](Oc2ccc(CCCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C45H52O16/c46-22-34-38(52)40(54)42(56)44(60-34)58-32-14-12-24(18-30(32)28-10-4-8-26(16-28)20-36(48)49)6-2-1-3-7-25-13-15-33(59-45-43(57)41(55)39(53)35(23-47)61-45)31(19-25)29-11-5-9-27(17-29)21-37(50)51/h4-5,8-19,34-35,38-47,52-57H,1-3,6-7,20-23H2,(H,48,49)(H,50,51)/t34-,35?,38-,39-,40-,41-,42+,43+,44+,45+/m1/s1
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n/an/a 3.00E+5n/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
E-selectin


(Homo sapiens (Human))		BDBM50422284
PNG
(CHEMBL2303890)
Show SMILES OCC1O[C@H](Oc2ccc(CCCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C45H52O16/c46-22-34-38(52)40(54)42(56)44(60-34)58-32-14-12-24(18-30(32)28-10-4-8-26(16-28)20-36(48)49)6-2-1-3-7-25-13-15-33(59-45-43(57)41(55)39(53)35(23-47)61-45)31(19-25)29-11-5-9-27(17-29)21-37(50)51/h4-5,8-19,34-35,38-47,52-57H,1-3,6-7,20-23H2,(H,48,49)(H,50,51)/t34-,35?,38-,39-,40-,41-,42+,43+,44+,45+/m1/s1
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n/an/a 4.00E+5n/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


(Homo sapiens (Human))		BDBM50422285
PNG
(CHEMBL2303886)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(CCCCCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C47H56O16/c48-24-36-40(54)42(56)44(58)46(62-36)60-34-16-14-26(20-32(34)30-12-6-10-28(18-30)22-38(50)51)8-4-2-1-3-5-9-27-15-17-35(61-47-45(59)43(57)41(55)37(25-49)63-47)33(21-27)31-13-7-11-29(19-31)23-39(52)53/h6-7,10-21,36-37,40-49,54-59H,1-5,8-9,22-25H2,(H,50,51)(H,52,53)/t36-,37-,40-,41-,42-,43-,44+,45+,46+,47+/m1/s1
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n/an/a 4.00E+5n/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
E-selectin


(Homo sapiens (Human))		BDBM50422285
PNG
(CHEMBL2303886)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(CCCCCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C47H56O16/c48-24-36-40(54)42(56)44(58)46(62-36)60-34-16-14-26(20-32(34)30-12-6-10-28(18-30)22-38(50)51)8-4-2-1-3-5-9-27-15-17-35(61-47-45(59)43(57)41(55)37(25-49)63-47)33(21-27)31-13-7-11-29(19-31)23-39(52)53/h6-7,10-21,36-37,40-49,54-59H,1-5,8-9,22-25H2,(H,50,51)(H,52,53)/t36-,37-,40-,41-,42-,43-,44+,45+,46+,47+/m1/s1
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n/an/a 5.00E+5n/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


(Homo sapiens (Human))		BDBM50422279
PNG
(CHEMBL2303872)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(CCCSCCCSCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C49H60O16S2/c50-26-38-42(56)44(58)46(60)48(64-38)62-36-14-12-28(22-34(36)32-10-1-6-30(20-32)24-40(52)53)8-3-16-66-18-5-19-67-17-4-9-29-13-15-37(63-49-47(61)45(59)43(57)39(27-51)65-49)35(23-29)33-11-2-7-31(21-33)25-41(54)55/h1-2,6-7,10-15,20-23,38-39,42-51,56-61H,3-5,8-9,16-19,24-27H2,(H,52,53)(H,54,55)/t38-,39-,42-,43-,44-,45-,46+,47+,48+,49+/m1/s1
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n/an/a 5.00E+5n/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
E-selectin


(Homo sapiens (Human))		BDBM50422287
PNG
(CHEMBL2303881)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(CCCCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C46H54O16/c47-23-35-39(53)41(55)43(57)45(61-35)59-33-15-13-25(19-31(33)29-11-5-9-27(17-29)21-37(49)50)7-3-1-2-4-8-26-14-16-34(60-46-44(58)42(56)40(54)36(24-48)62-46)32(20-26)30-12-6-10-28(18-30)22-38(51)52/h5-6,9-20,35-36,39-48,53-58H,1-4,7-8,21-24H2,(H,49,50)(H,51,52)/t35-,36-,39-,40-,41-,42-,43+,44+,45+,46+/m1/s1
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n/an/a 5.00E+5n/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
L-selectin


(Homo sapiens (Human))		BDBM50422288
PNG
(CHEMBL2303876)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(Cc3cc(Cc4ccc(O[C@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)c(c4)-c4cccc(CC(O)=O)c4)cc(Cc4ccc(O[C@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)c(c4)-c4cccc(CC(O)=O)c4)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C69H72O24/c70-31-52-58(79)61(82)64(85)67(91-52)88-49-13-10-37(25-46(49)43-7-1-4-34(22-43)28-55(73)74)16-40-19-41(17-38-11-14-50(89-68-65(86)62(83)59(80)53(32-71)92-68)47(26-38)44-8-2-5-35(23-44)29-56(75)76)21-42(20-40)18-39-12-15-51(90-69-66(87)63(84)60(81)54(33-72)93-69)48(27-39)45-9-3-6-36(24-45)30-57(77)78/h1-15,19-27,52-54,58-72,79-87H,16-18,28-33H2,(H,73,74)(H,75,76)(H,77,78)/t52-,53-,54-,58-,59-,60-,61-,62-,63-,64+,65+,66+,67+,68+,69+/m1/s1
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n/an/a 5.00E+5n/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
P-selectin


(Homo sapiens (Human))		BDBM50422291
PNG
(CHEMBL2303882)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(CCCCCCc3ccc(c(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c3)-c3cccc(OCC(O)=O)c3)cc2-c2cccc(OCC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C46H54O18/c47-21-35-39(53)41(55)43(57)45(63-35)61-33-16-14-25(17-32(33)28-10-6-12-30(20-28)60-24-38(51)52)7-3-1-2-4-8-26-13-15-31(27-9-5-11-29(19-27)59-23-37(49)50)34(18-26)62-46-44(58)42(56)40(54)36(22-48)64-46/h5-6,9-20,35-36,39-48,53-58H,1-4,7-8,21-24H2,(H,49,50)(H,51,52)/t35-,36-,39-,40-,41-,42-,43+,44+,45+,46+/m1/s1
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n/an/a 5.40E+5n/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
L-selectin


(Homo sapiens (Human))		BDBM50422287
PNG
(CHEMBL2303881)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(CCCCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C46H54O16/c47-23-35-39(53)41(55)43(57)45(61-35)59-33-15-13-25(19-31(33)29-11-5-9-27(17-29)21-37(49)50)7-3-1-2-4-8-26-14-16-34(60-46-44(58)42(56)40(54)36(24-48)62-46)32(20-26)30-12-6-10-28(18-30)22-38(51)52/h5-6,9-20,35-36,39-48,53-58H,1-4,7-8,21-24H2,(H,49,50)(H,51,52)/t35-,36-,39-,40-,41-,42-,43+,44+,45+,46+/m1/s1
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n/an/a 5.60E+5n/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
L-selectin


(Homo sapiens (Human))		BDBM50422286
PNG
(CHEMBL2303879)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(CCCCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)cc2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C38H48O14/c39-19-28-31(43)33(45)35(47)37(51-28)49-25-13-10-21(11-14-25)6-3-1-2-4-7-22-12-15-27(50-38-36(48)34(46)32(44)29(20-40)52-38)26(17-22)24-9-5-8-23(16-24)18-30(41)42/h5,8-17,28-29,31-40,43-48H,1-4,6-7,18-20H2,(H,41,42)/t28-,29-,31-,32-,33-,34-,35+,36+,37+,38+/m1/s1
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n/an/a 6.00E+5n/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
P-selectin


(Homo sapiens (Human))		BDBM50422283
PNG
(CHEMBL2303891)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(Cc3ccc(Oc4ccc(Cc5ccc(O[C@H]6O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]6O)c(c5)-c5cccc(CC(O)=O)c5)cc4)cc3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C54H54O17/c55-27-43-47(61)49(63)51(65)53(70-43)68-41-17-11-33(23-39(41)35-5-1-3-31(21-35)25-45(57)58)19-29-7-13-37(14-8-29)67-38-15-9-30(10-16-38)20-34-12-18-42(69-54-52(66)50(64)48(62)44(28-56)71-54)40(24-34)36-6-2-4-32(22-36)26-46(59)60/h1-18,21-24,43-44,47-56,61-66H,19-20,25-28H2,(H,57,58)(H,59,60)/t43-,44-,47-,48-,49-,50-,51+,52+,53+,54+/m1/s1
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n/an/a 7.00E+5n/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
L-selectin


(Homo sapiens (Human))		BDBM50422280
PNG
(CHEMBL2303893)
Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2cccc(CCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C40H44O14/c41-19-30-33(45)35(47)37(49)39(53-30)51-28-10-2-1-9-26(28)24-7-3-5-21(15-24)11-12-22-13-14-29(52-40-38(50)36(48)34(46)31(20-42)54-40)27(17-22)25-8-4-6-23(16-25)18-32(43)44/h1-10,13-17,30-31,33-42,45-50H,11-12,18-20H2,(H,43,44)/t30-,31-,33-,34-,35-,36-,37+,38+,39+,40+/m1/s1
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n/an/a 7.50E+5n/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
L-selectin


(Homo sapiens (Human))		BDBM50422285
PNG
(CHEMBL2303886)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(CCCCCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C47H56O16/c48-24-36-40(54)42(56)44(58)46(62-36)60-34-16-14-26(20-32(34)30-12-6-10-28(18-30)22-38(50)51)8-4-2-1-3-5-9-27-15-17-35(61-47-45(59)43(57)41(55)37(25-49)63-47)33(21-27)31-13-7-11-29(19-31)23-39(52)53/h6-7,10-21,36-37,40-49,54-59H,1-5,8-9,22-25H2,(H,50,51)(H,52,53)/t36-,37-,40-,41-,42-,43-,44+,45+,46+,47+/m1/s1
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n/an/a 7.50E+5n/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
P-selectin


(Homo sapiens (Human))		BDBM50422282
PNG
(CHEMBL2303868)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(cc2-c2cccc(CC(O)=O)c2)C(=O)CCCCC(=O)c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c(c2)-c2ccccc2CC(O)=O)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C46H50O18/c47-21-35-39(55)41(57)43(59)45(63-35)61-33-14-12-26(18-29(33)24-8-5-6-23(16-24)17-37(51)52)31(49)10-3-4-11-32(50)27-13-15-34(62-46-44(60)42(58)40(56)36(22-48)64-46)30(19-27)28-9-2-1-7-25(28)20-38(53)54/h1-2,5-9,12-16,18-19,35-36,39-48,55-60H,3-4,10-11,17,20-22H2,(H,51,52)(H,53,54)/t35-,36-,39-,40-,41-,42-,43+,44+,45+,46+/m1/s1
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n/an/a 1.00E+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
E-selectin


(Homo sapiens (Human))		BDBM50422280
PNG
(CHEMBL2303893)
Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2cccc(CCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C40H44O14/c41-19-30-33(45)35(47)37(49)39(53-30)51-28-10-2-1-9-26(28)24-7-3-5-21(15-24)11-12-22-13-14-29(52-40-38(50)36(48)34(46)31(20-42)54-40)27(17-22)25-8-4-6-23(16-25)18-32(43)44/h1-10,13-17,30-31,33-42,45-50H,11-12,18-20H2,(H,43,44)/t30-,31-,33-,34-,35-,36-,37+,38+,39+,40+/m1/s1
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n/an/a 1.00E+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


(Homo sapiens (Human))		BDBM50422292
PNG
(CHEMBL2303875)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(CCCC(=O)N3CCC(CCCC4CCN(CC4)C(=O)CCCc4ccc(O[C@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)c(c4)-c4cccc(CC(O)=O)c4)CC3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C61H78N2O18/c64-34-48-54(72)56(74)58(76)60(80-48)78-46-18-16-38(30-44(46)42-12-2-10-40(28-42)32-52(68)69)8-4-14-50(66)62-24-20-36(21-25-62)6-1-7-37-22-26-63(27-23-37)51(67)15-5-9-39-17-19-47(79-61-59(77)57(75)55(73)49(35-65)81-61)45(31-39)43-13-3-11-41(29-43)33-53(70)71/h2-3,10-13,16-19,28-31,36-37,48-49,54-61,64-65,72-77H,1,4-9,14-15,20-27,32-35H2,(H,68,69)(H,70,71)/t48-,49-,54-,55-,56-,57-,58+,59+,60+,61+/m1/s1
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n/an/a 1.00E+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
L-selectin


(Homo sapiens (Human))		BDBM50422290
PNG
(CHEMBL2303877)
Show SMILES OCC1O[C@H](Oc2ccc(CCCCCCCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C49H60O16/c50-26-38-42(56)44(58)46(60)48(64-38)62-36-18-16-28(22-34(36)32-14-8-12-30(20-32)24-40(52)53)10-6-4-2-1-3-5-7-11-29-17-19-37(63-49-47(61)45(59)43(57)39(27-51)65-49)35(23-29)33-15-9-13-31(21-33)25-41(54)55/h8-9,12-23,38-39,42-51,56-61H,1-7,10-11,24-27H2,(H,52,53)(H,54,55)/t38-,39?,42-,43-,44-,45-,46+,47+,48+,49+/m1/s1
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n/an/a 1.00E+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
P-selectin


(Homo sapiens (Human))		BDBM50422286
PNG
(CHEMBL2303879)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(CCCCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)cc2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C38H48O14/c39-19-28-31(43)33(45)35(47)37(51-28)49-25-13-10-21(11-14-25)6-3-1-2-4-7-22-12-15-27(50-38-36(48)34(46)32(44)29(20-40)52-38)26(17-22)24-9-5-8-23(16-24)18-30(41)42/h5,8-17,28-29,31-40,43-48H,1-4,6-7,18-20H2,(H,41,42)/t28-,29-,31-,32-,33-,34-,35+,36+,37+,38+/m1/s1
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n/an/a 1.00E+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
E-selectin


(Homo sapiens (Human))		BDBM50422282
PNG
(CHEMBL2303868)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(cc2-c2cccc(CC(O)=O)c2)C(=O)CCCCC(=O)c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c(c2)-c2ccccc2CC(O)=O)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C46H50O18/c47-21-35-39(55)41(57)43(59)45(63-35)61-33-14-12-26(18-29(33)24-8-5-6-23(16-24)17-37(51)52)31(49)10-3-4-11-32(50)27-13-15-34(62-46-44(60)42(58)40(56)36(22-48)64-46)30(19-27)28-9-2-1-7-25(28)20-38(53)54/h1-2,5-9,12-16,18-19,35-36,39-48,55-60H,3-4,10-11,17,20-22H2,(H,51,52)(H,53,54)/t35-,36-,39-,40-,41-,42-,43+,44+,45+,46+/m1/s1
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n/an/a 1.00E+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
L-selectin


(Homo sapiens (Human))		BDBM50422291
PNG
(CHEMBL2303882)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(CCCCCCc3ccc(c(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c3)-c3cccc(OCC(O)=O)c3)cc2-c2cccc(OCC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C46H54O18/c47-21-35-39(53)41(55)43(57)45(63-35)61-33-16-14-25(17-32(33)28-10-6-12-30(20-28)60-24-38(51)52)7-3-1-2-4-8-26-13-15-31(27-9-5-11-29(19-27)59-23-37(49)50)34(18-26)62-46-44(58)42(56)40(54)36(22-48)64-46/h5-6,9-20,35-36,39-48,53-58H,1-4,7-8,21-24H2,(H,49,50)(H,51,52)/t35-,36-,39-,40-,41-,42-,43+,44+,45+,46+/m1/s1
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n/an/a 1.40E+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 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
E-selectin


(Homo sapiens (Human))		BDBM50422292
PNG
(CHEMBL2303875)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(CCCC(=O)N3CCC(CCCC4CCN(CC4)C(=O)CCCc4ccc(O[C@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)c(c4)-c4cccc(CC(O)=O)c4)CC3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C61H78N2O18/c64-34-48-54(72)56(74)58(76)60(80-48)78-46-18-16-38(30-44(46)42-12-2-10-40(28-42)32-52(68)69)8-4-14-50(66)62-24-20-36(21-25-62)6-1-7-37-22-26-63(27-23-37)51(67)15-5-9-39-17-19-47(79-61-59(77)57(75)55(73)49(35-65)81-61)45(31-39)43-13-3-11-41(29-43)33-53(70)71/h2-3,10-13,16-19,28-31,36-37,48-49,54-61,64-65,72-77H,1,4-9,14-15,20-27,32-35H2,(H,68,69)(H,70,71)/t48-,49-,54-,55-,56-,57-,58+,59+,60+,61+/m1/s1
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n/an/a 1.50E+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 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
L-selectin


(Homo sapiens (Human))		BDBM50422281
PNG
(CHEMBL2303867)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(cc2-c2cccc(CC(O)=O)c2)C(=O)CSCc2cc(CSCC(=O)c3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3ccccc3CC(O)=O)cc(CSCC(=O)c3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3ccccc3CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C75H78O27S3/c76-28-58-64(88)67(91)70(94)73(100-58)97-55-15-12-44(23-49(55)41-9-5-6-37(21-41)22-61(82)83)52(79)34-103-31-38-18-39(32-104-35-53(80)45-13-16-56(98-74-71(95)68(92)65(89)59(29-77)101-74)50(24-45)47-10-3-1-7-42(47)26-62(84)85)20-40(19-38)33-105-36-54(81)46-14-17-57(99-75-72(96)69(93)66(90)60(30-78)102-75)51(25-46)48-11-4-2-8-43(48)27-63(86)87/h1-21,23-25,58-60,64-78,88-96H,22,26-36H2,(H,82,83)(H,84,85)(H,86,87)/t58-,59-,60-,64-,65-,66-,67-,68-,69-,70+,71+,72+,73+,74+,75+/m1/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
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
P-selectin


(Homo sapiens (Human))		BDBM50422280
PNG
(CHEMBL2303893)
Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2cccc(CCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C40H44O14/c41-19-30-33(45)35(47)37(49)39(53-30)51-28-10-2-1-9-26(28)24-7-3-5-21(15-24)11-12-22-13-14-29(52-40-38(50)36(48)34(46)31(20-42)54-40)27(17-22)25-8-4-6-23(16-25)18-32(43)44/h1-10,13-17,30-31,33-42,45-50H,11-12,18-20H2,(H,43,44)/t30-,31-,33-,34-,35-,36-,37+,38+,39+,40+/m1/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
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
P-selectin


(Homo sapiens (Human))		BDBM50422295
PNG
(CHEMBL2303888)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(Cc3ccc(Cc4ccc(O[C@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)c(c4)-c4cccc(CC(O)=O)c4)cc3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C48H50O16/c49-23-37-41(55)43(57)45(59)47(63-37)61-35-13-11-29(19-33(35)31-5-1-3-27(17-31)21-39(51)52)15-25-7-9-26(10-8-25)16-30-12-14-36(62-48-46(60)44(58)42(56)38(24-50)64-48)34(20-30)32-6-2-4-28(18-32)22-40(53)54/h1-14,17-20,37-38,41-50,55-60H,15-16,21-24H2,(H,51,52)(H,53,54)/t37-,38-,41-,42-,43-,44-,45+,46+,47+,48+/m1/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 concentration to inhibit sLex bearing HL-60 cells binding to Selectin P-IgG fusion proteins at 3 mM

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
E-selectin


(Homo sapiens (Human))		BDBM50422295
PNG
(CHEMBL2303888)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(Cc3ccc(Cc4ccc(O[C@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)c(c4)-c4cccc(CC(O)=O)c4)cc3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C48H50O16/c49-23-37-41(55)43(57)45(59)47(63-37)61-35-13-11-29(19-33(35)31-5-1-3-27(17-31)21-39(51)52)15-25-7-9-26(10-8-25)16-30-12-14-36(62-48-46(60)44(58)42(56)38(24-50)64-48)34(20-30)32-6-2-4-28(18-32)22-40(53)54/h1-14,17-20,37-38,41-50,55-60H,15-16,21-24H2,(H,51,52)(H,53,54)/t37-,38-,41-,42-,43-,44-,45+,46+,47+,48+/m1/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
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


(Homo sapiens (Human))		BDBM50422289
PNG
(CHEMBL2303874)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(CCCCCCc3ccc(O)c(c3)-c3ccccc3CC(O)=O)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C40H44O11/c41-23-34-37(47)38(48)39(49)40(51-34)50-33-17-15-25(19-30(33)27-12-7-10-26(18-27)21-35(43)44)9-4-2-1-3-8-24-14-16-32(42)31(20-24)29-13-6-5-11-28(29)22-36(45)46/h5-7,10-20,34,37-42,47-49H,1-4,8-9,21-23H2,(H,43,44)(H,45,46)/t34-,37-,38-,39+,40+/m1/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
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
P-selectin


(Homo sapiens (Human))		BDBM50422293
PNG
(CHEMBL2303873)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(CCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C44H50O16/c45-21-33-37(51)39(53)41(55)43(59-33)57-31-13-11-23(17-29(31)27-9-3-7-25(15-27)19-35(47)48)5-1-2-6-24-12-14-32(58-44-42(56)40(54)38(52)34(22-46)60-44)30(18-24)28-10-4-8-26(16-28)20-36(49)50/h3-4,7-18,33-34,37-46,51-56H,1-2,5-6,19-22H2,(H,47,48)(H,49,50)/t33-,34-,37-,38-,39-,40-,41+,42+,43+,44+/m1/s1
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n/an/a 2.50E+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 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
E-selectin


(Homo sapiens (Human))		BDBM50422283
PNG
(CHEMBL2303891)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(Cc3ccc(Oc4ccc(Cc5ccc(O[C@H]6O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]6O)c(c5)-c5cccc(CC(O)=O)c5)cc4)cc3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C54H54O17/c55-27-43-47(61)49(63)51(65)53(70-43)68-41-17-11-33(23-39(41)35-5-1-3-31(21-35)25-45(57)58)19-29-7-13-37(14-8-29)67-38-15-9-30(10-16-38)20-34-12-18-42(69-54-52(66)50(64)48(62)44(28-56)71-54)40(24-34)36-6-2-4-32(22-36)26-46(59)60/h1-18,21-24,43-44,47-56,61-66H,19-20,25-28H2,(H,57,58)(H,59,60)/t43-,44-,47-,48-,49-,50-,51+,52+,53+,54+/m1/s1
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n/an/a 2.50E+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 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


(Homo sapiens (Human))		BDBM50422131
PNG
(CHEMBL2303887)
Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H22O8/c21-10-15-17(24)18(25)19(26)20(28-15)27-14-7-2-1-6-13(14)12-5-3-4-11(8-12)9-16(22)23/h1-8,15,17-21,24-26H,9-10H2,(H,22,23)/t15-,17-,18-,19+,20+/m1/s1
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n/an/a 2.60E+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
L-selectin


(Homo sapiens (Human))		BDBM50422294
PNG
(CHEMBL2303889)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(Cc3cccc(Cc4ccc(O[C@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)c(c4)-c4cccc(CC(O)=O)c4)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C48H50O16/c49-23-37-41(55)43(57)45(59)47(63-37)61-35-12-10-29(19-33(35)31-8-2-6-27(17-31)21-39(51)52)15-25-4-1-5-26(14-25)16-30-11-13-36(62-48-46(60)44(58)42(56)38(24-50)64-48)34(20-30)32-9-3-7-28(18-32)22-40(53)54/h1-14,17-20,37-38,41-50,55-60H,15-16,21-24H2,(H,51,52)(H,53,54)/t37-,38-,41-,42-,43-,44-,45+,46+,47+,48+/m1/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
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
L-selectin


(Homo sapiens (Human))		BDBM50422282
PNG
(CHEMBL2303868)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(cc2-c2cccc(CC(O)=O)c2)C(=O)CCCCC(=O)c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c(c2)-c2ccccc2CC(O)=O)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C46H50O18/c47-21-35-39(55)41(57)43(59)45(63-35)61-33-14-12-26(18-29(33)24-8-5-6-23(16-24)17-37(51)52)31(49)10-3-4-11-32(50)27-13-15-34(62-46-44(60)42(58)40(56)36(22-48)64-46)30(19-27)28-9-2-1-7-25(28)20-38(53)54/h1-2,5-9,12-16,18-19,35-36,39-48,55-60H,3-4,10-11,17,20-22H2,(H,51,52)(H,53,54)/t35-,36-,39-,40-,41-,42-,43+,44+,45+,46+/m1/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
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
L-selectin


(Homo sapiens (Human))		BDBM50422295
PNG
(CHEMBL2303888)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(Cc3ccc(Cc4ccc(O[C@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)c(c4)-c4cccc(CC(O)=O)c4)cc3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C48H50O16/c49-23-37-41(55)43(57)45(59)47(63-37)61-35-13-11-29(19-33(35)31-5-1-3-27(17-31)21-39(51)52)15-25-7-9-26(10-8-25)16-30-12-14-36(62-48-46(60)44(58)42(56)38(24-50)64-48)34(20-30)32-6-2-4-28(18-32)22-40(53)54/h1-14,17-20,37-38,41-50,55-60H,15-16,21-24H2,(H,51,52)(H,53,54)/t37-,38-,41-,42-,43-,44-,45+,46+,47+,48+/m1/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
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
E-selectin


(Homo sapiens (Human))		BDBM50422131
PNG
(CHEMBL2303887)
Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H22O8/c21-10-15-17(24)18(25)19(26)20(28-15)27-14-7-2-1-6-13(14)12-5-3-4-11(8-12)9-16(22)23/h1-8,15,17-21,24-26H,9-10H2,(H,22,23)/t15-,17-,18-,19+,20+/m1/s1
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n/an/a 3.10E+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
E-selectin


(Homo sapiens (Human))		BDBM50422291
PNG
(CHEMBL2303882)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(CCCCCCc3ccc(c(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c3)-c3cccc(OCC(O)=O)c3)cc2-c2cccc(OCC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C46H54O18/c47-21-35-39(53)41(55)43(57)45(63-35)61-33-16-14-25(17-32(33)28-10-6-12-30(20-28)60-24-38(51)52)7-3-1-2-4-8-26-13-15-31(27-9-5-11-29(19-27)59-23-37(49)50)34(18-26)62-46-44(58)42(56)40(54)36(22-48)64-46/h5-6,9-20,35-36,39-48,53-58H,1-4,7-8,21-24H2,(H,49,50)(H,51,52)/t35-,36-,39-,40-,41-,42-,43+,44+,45+,46+/m1/s1
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n/an/a 3.20E+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
E-selectin


(Homo sapiens (Human))		BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](NC(C)=O)C=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO
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


(Homo sapiens (Human))		BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](NC(C)=O)C=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO
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
L-selectin


(Homo sapiens (Human))		BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](NC(C)=O)C=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO
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
E-selectin


(Homo sapiens (Human))		BDBM50422281
PNG
(CHEMBL2303867)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(cc2-c2cccc(CC(O)=O)c2)C(=O)CSCc2cc(CSCC(=O)c3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3ccccc3CC(O)=O)cc(CSCC(=O)c3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3ccccc3CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C75H78O27S3/c76-28-58-64(88)67(91)70(94)73(100-58)97-55-15-12-44(23-49(55)41-9-5-6-37(21-41)22-61(82)83)52(79)34-103-31-38-18-39(32-104-35-53(80)45-13-16-56(98-74-71(95)68(92)65(89)59(29-77)101-74)50(24-45)47-10-3-1-7-42(47)26-62(84)85)20-40(19-38)33-105-36-54(81)46-14-17-57(99-75-72(96)69(93)66(90)60(30-78)102-75)51(25-46)48-11-4-2-8-43(48)27-63(86)87/h1-21,23-25,58-60,64-78,88-96H,22,26-36H2,(H,82,83)(H,84,85)(H,86,87)/t58-,59-,60-,64-,65-,66-,67-,68-,69-,70+,71+,72+,73+,74+,75+/m1/s1
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n/an/a 4.00E+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
L-selectin


(Homo sapiens (Human))		BDBM50422131
PNG
(CHEMBL2303887)
Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H22O8/c21-10-15-17(24)18(25)19(26)20(28-15)27-14-7-2-1-6-13(14)12-5-3-4-11(8-12)9-16(22)23/h1-8,15,17-21,24-26H,9-10H2,(H,22,23)/t15-,17-,18-,19+,20+/m1/s1
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n/an/a 4.10E+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
E-selectin


(Homo sapiens (Human))		BDBM50422293
PNG
(CHEMBL2303873)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(CCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C44H50O16/c45-21-33-37(51)39(53)41(55)43(59-33)57-31-13-11-23(17-29(31)27-9-3-7-25(15-27)19-35(47)48)5-1-2-6-24-12-14-32(58-44-42(56)40(54)38(52)34(22-46)60-44)30(18-24)28-10-4-8-26(16-28)20-36(49)50/h3-4,7-18,33-34,37-46,51-56H,1-2,5-6,19-22H2,(H,47,48)(H,49,50)/t33-,34-,37-,38-,39-,40-,41+,42+,43+,44+/m1/s1
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n/an/a 5.00E+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
L-selectin


(Homo sapiens (Human))		BDBM50422279
PNG
(CHEMBL2303872)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(CCCSCCCSCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C49H60O16S2/c50-26-38-42(56)44(58)46(60)48(64-38)62-36-14-12-28(22-34(36)32-10-1-6-30(20-32)24-40(52)53)8-3-16-66-18-5-19-67-17-4-9-29-13-15-37(63-49-47(61)45(59)43(57)39(27-51)65-49)35(23-29)33-11-2-7-31(21-33)25-41(54)55/h1-2,6-7,10-15,20-23,38-39,42-51,56-61H,3-5,8-9,16-19,24-27H2,(H,52,53)(H,54,55)/t38-,39-,42-,43-,44-,45-,46+,47+,48+,49+/m1/s1
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n/an/a 5.00E+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
* indicates data uncertainty>20%