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PubMed code 8632441

Compile data set for download or QSAR
Found 24 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
L-selectin


(Homo sapiens (Human))		BDBM50050461
PNG
(5-(2-{2-[5-Acetylamino-2-hydroxymethyl-4-(2,3,4-tr...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@H](CO[C@H](CO)[C@H]2O[C@@H]2O[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](O)[C@H]2O)NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C30H50N2O22/c1-8-16(39)18(41)20(43)27(49-8)50-22-11(31-9(2)35)7-48-14(6-34)23(22)51-28-21(44)19(42)25(26(45)52-28)54-30(29(46)47)4-12(37)15(32-10(3)36)24(53-30)17(40)13(38)5-33/h8,11-28,33-34,37-45H,4-7H2,1-3H3,(H,31,35)(H,32,36)(H,46,47)/t8-,11-,12-,13+,14+,15+,16+,17+,18+,19+,20-,21+,22+,23+,24+,25+,26-,27-,28+,30-/m0/s1
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n/an/a 3.50E+4n/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
P-selectin


(Homo sapiens (Human))		BDBM50050461
PNG
(5-(2-{2-[5-Acetylamino-2-hydroxymethyl-4-(2,3,4-tr...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@H](CO[C@H](CO)[C@H]2O[C@@H]2O[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](O)[C@H]2O)NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C30H50N2O22/c1-8-16(39)18(41)20(43)27(49-8)50-22-11(31-9(2)35)7-48-14(6-34)23(22)51-28-21(44)19(42)25(26(45)52-28)54-30(29(46)47)4-12(37)15(32-10(3)36)24(53-30)17(40)13(38)5-33/h8,11-28,33-34,37-45H,4-7H2,1-3H3,(H,31,35)(H,32,36)(H,46,47)/t8-,11-,12-,13+,14+,15+,16+,17+,18+,19+,20-,21+,22+,23+,24+,25+,26-,27-,28+,30-/m0/s1
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n/an/a 4.40E+4n/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
L-selectin


(Homo sapiens (Human))		BDBM50050456
PNG
(5-(2-{3,5-Dihydroxy-2-hydroxymethyl-6-[2-hydroxyme...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)CO[C@H](CO)[C@H]2O[C@@H]2O[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](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C28H47NO22/c1-7-14(36)16(38)18(40)25(46-7)47-20-11(35)6-45-12(5-31)21(20)48-26-19(41)17(39)23(24(42)49-26)51-28(27(43)44)3-9(33)13(29-8(2)32)22(50-28)15(37)10(34)4-30/h7,9-26,30-31,33-42H,3-6H2,1-2H3,(H,29,32)(H,43,44)/t7-,9-,10+,11-,12+,13+,14+,15+,16+,17+,18-,19+,20+,21+,22+,23+,24-,25-,26+,28-/m0/s1
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n/an/a 2.20E+5n/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
E-selectin


(Homo sapiens (Human))		BDBM50050456
PNG
(5-(2-{3,5-Dihydroxy-2-hydroxymethyl-6-[2-hydroxyme...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)CO[C@H](CO)[C@H]2O[C@@H]2O[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](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C28H47NO22/c1-7-14(36)16(38)18(40)25(46-7)47-20-11(35)6-45-12(5-31)21(20)48-26-19(41)17(39)23(24(42)49-26)51-28(27(43)44)3-9(33)13(29-8(2)32)22(50-28)15(37)10(34)4-30/h7,9-26,30-31,33-42H,3-6H2,1-2H3,(H,29,32)(H,43,44)/t7-,9-,10+,11-,12+,13+,14+,15+,16+,17+,18-,19+,20+,21+,22+,23+,24-,25-,26+,28-/m0/s1
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n/an/a 2.40E+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
E-selectin


(Homo sapiens (Human))		BDBM50050458
PNG
(5-Acetylamino-2-{3,5-dihydroxy-2-hydroxymethyl-6-[...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2CCO[C@H](CO)[C@H]2O[C@@H]2O[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](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C28H47NO21/c1-8-15(35)17(37)19(39)25(45-8)46-12-3-4-44-13(7-31)21(12)47-26-20(40)18(38)23(24(41)48-26)50-28(27(42)43)5-10(33)14(29-9(2)32)22(49-28)16(36)11(34)6-30/h8,10-26,30-31,33-41H,3-7H2,1-2H3,(H,29,32)(H,42,43)/t8-,10-,11+,12+,13+,14+,15+,16+,17+,18+,19-,20+,21-,22+,23+,24-,25-,26+,28-/m0/s1
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n/an/a 3.60E+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
L-selectin


(Homo sapiens (Human))		BDBM50050460
PNG
(CHEMBL175724 | sodium salt of 6-[2-Hydroxy-4-(2,3,...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2CCO[C@H](CO)[C@H]2O[C@@H]2O[C@H](O)[C@H](OP(O)([O-])=O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C17H31O16P/c1-5-8(19)9(20)11(22)16(29-5)30-6-2-3-28-7(4-18)13(6)31-17-12(23)10(21)14(15(24)32-17)33-34(25,26)27/h5-24H,2-4H2,1H3,(H2,25,26,27)/p-1/t5-,6+,7+,8+,9+,10+,11-,12+,13-,14+,15-,16-,17+/m0/s1
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n/an/a 4.20E+5n/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
P-selectin


(Homo sapiens (Human))		BDBM50050455
PNG
(CHEMBL177316 | sodium salt of Sulfuric acid mono-{...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2CCO[C@H](CO)[C@H]2O[C@@H]2O[C@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C17H30O16S/c1-5-8(19)9(20)11(22)16(29-5)30-6-2-3-28-7(4-18)13(6)31-17-12(23)10(21)14(15(24)32-17)33-34(25,26)27/h5-24H,2-4H2,1H3,(H,25,26,27)/p-1/t5-,6+,7+,8+,9+,10+,11-,12+,13-,14+,15-,16-,17+/m0/s1
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n/an/a 5.60E+5n/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
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 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


(Homo sapiens (Human))		BDBM50050459
PNG
(CHEMBL362419 | O-(3-O-Sulfo-beta-D-galactopyranosy...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)CO[C@H](CO)[C@H]2O[C@@H]2O[C@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C17H30O17S/c1-4-7(20)8(21)10(23)16(30-4)31-12-5(19)3-29-6(2-18)13(12)32-17-11(24)9(22)14(15(25)33-17)34-35(26,27)28/h4-25H,2-3H2,1H3,(H,26,27,28)/p-1/t4-,5-,6+,7+,8+,9+,10-,11+,12+,13+,14+,15-,16-,17+/m0/s1
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n/an/a 6.70E+5n/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
L-selectin


(Homo sapiens (Human))		BDBM50050455
PNG
(CHEMBL177316 | sodium salt of Sulfuric acid mono-{...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2CCO[C@H](CO)[C@H]2O[C@@H]2O[C@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C17H30O16S/c1-5-8(19)9(20)11(22)16(29-5)30-6-2-3-28-7(4-18)13(6)31-17-12(23)10(21)14(15(24)32-17)33-34(25,26)27/h5-24H,2-4H2,1H3,(H,25,26,27)/p-1/t5-,6+,7+,8+,9+,10+,11-,12+,13-,14+,15-,16-,17+/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
E-selectin


(Homo sapiens (Human))		BDBM50050461
PNG
(5-(2-{2-[5-Acetylamino-2-hydroxymethyl-4-(2,3,4-tr...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@H](CO[C@H](CO)[C@H]2O[C@@H]2O[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](O)[C@H]2O)NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C30H50N2O22/c1-8-16(39)18(41)20(43)27(49-8)50-22-11(31-9(2)35)7-48-14(6-34)23(22)51-28-21(44)19(42)25(26(45)52-28)54-30(29(46)47)4-12(37)15(32-10(3)36)24(53-30)17(40)13(38)5-33/h8,11-28,33-34,37-45H,4-7H2,1-3H3,(H,31,35)(H,32,36)(H,46,47)/t8-,11-,12-,13+,14+,15+,16+,17+,18+,19+,20-,21+,22+,23+,24+,25+,26-,27-,28+,30-/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 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
L-selectin


(Homo sapiens (Human))		BDBM50050458
PNG
(5-Acetylamino-2-{3,5-dihydroxy-2-hydroxymethyl-6-[...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2CCO[C@H](CO)[C@H]2O[C@@H]2O[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](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C28H47NO21/c1-8-15(35)17(37)19(39)25(45-8)46-12-3-4-44-13(7-31)21(12)47-26-20(40)18(38)23(24(41)48-26)50-28(27(42)43)5-10(33)14(29-9(2)32)22(49-28)16(36)11(34)6-30/h8,10-26,30-31,33-41H,3-7H2,1-2H3,(H,29,32)(H,42,43)/t8-,10-,11+,12+,13+,14+,15+,16+,17+,18+,19-,20+,21-,22+,23+,24-,25-,26+,28-/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
E-selectin


(Homo sapiens (Human))		BDBM50050459
PNG
(CHEMBL362419 | O-(3-O-Sulfo-beta-D-galactopyranosy...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)CO[C@H](CO)[C@H]2O[C@@H]2O[C@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C17H30O17S/c1-4-7(20)8(21)10(23)16(30-4)31-12-5(19)3-29-6(2-18)13(12)32-17-11(24)9(22)14(15(25)33-17)34-35(26,27)28/h4-25H,2-3H2,1H3,(H,26,27,28)/p-1/t4-,5-,6+,7+,8+,9+,10-,11+,12+,13+,14+,15-,16-,17+/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 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


(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>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
P-selectin


(Homo sapiens (Human))		BDBM50050458
PNG
(5-Acetylamino-2-{3,5-dihydroxy-2-hydroxymethyl-6-[...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2CCO[C@H](CO)[C@H]2O[C@@H]2O[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](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C28H47NO21/c1-8-15(35)17(37)19(39)25(45-8)46-12-3-4-44-13(7-31)21(12)47-26-20(40)18(38)23(24(41)48-26)50-28(27(42)43)5-10(33)14(29-9(2)32)22(49-28)16(36)11(34)6-30/h8,10-26,30-31,33-41H,3-7H2,1-2H3,(H,29,32)(H,42,43)/t8-,10-,11+,12+,13+,14+,15+,16+,17+,18+,19-,20+,21-,22+,23+,24-,25-,26+,28-/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
P-selectin


(Homo sapiens (Human))		BDBM50050460
PNG
(CHEMBL175724 | sodium salt of 6-[2-Hydroxy-4-(2,3,...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2CCO[C@H](CO)[C@H]2O[C@@H]2O[C@H](O)[C@H](OP(O)([O-])=O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C17H31O16P/c1-5-8(19)9(20)11(22)16(29-5)30-6-2-3-28-7(4-18)13(6)31-17-12(23)10(21)14(15(24)32-17)33-34(25,26)27/h5-24H,2-4H2,1H3,(H2,25,26,27)/p-1/t5-,6+,7+,8+,9+,10+,11-,12+,13-,14+,15-,16-,17+/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
E-selectin


(Homo sapiens (Human))		BDBM50050455
PNG
(CHEMBL177316 | sodium salt of Sulfuric acid mono-{...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2CCO[C@H](CO)[C@H]2O[C@@H]2O[C@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C17H30O16S/c1-5-8(19)9(20)11(22)16(29-5)30-6-2-3-28-7(4-18)13(6)31-17-12(23)10(21)14(15(24)32-17)33-34(25,26)27/h5-24H,2-4H2,1H3,(H,25,26,27)/p-1/t5-,6+,7+,8+,9+,10+,11-,12+,13-,14+,15-,16-,17+/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 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
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>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
P-selectin


(Homo sapiens (Human))		BDBM50050454
PNG
(CHEMBL177789 | O-(3-O-Sulfo-beta-D-galactopyranosy...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@H](CO[C@H](CO)[C@H]2O[C@@H]2O[C@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)[C@H]2O)NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C19H33NO17S/c1-5-9(23)10(24)12(26)18(33-5)34-14-7(20-6(2)22)4-32-8(3-21)15(14)35-19-13(27)11(25)16(17(28)36-19)37-38(29,30)31/h5,7-19,21,23-28H,3-4H2,1-2H3,(H,20,22)(H,29,30,31)/p-1/t5-,7-,8+,9+,10+,11+,12-,13+,14+,15+,16+,17-,18-,19+/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
P-selectin


(Homo sapiens (Human))		BDBM50050456
PNG
(5-(2-{3,5-Dihydroxy-2-hydroxymethyl-6-[2-hydroxyme...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)CO[C@H](CO)[C@H]2O[C@@H]2O[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](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C28H47NO22/c1-7-14(36)16(38)18(40)25(46-7)47-20-11(35)6-45-12(5-31)21(20)48-26-19(41)17(39)23(24(42)49-26)51-28(27(43)44)3-9(33)13(29-8(2)32)22(50-28)15(37)10(34)4-30/h7,9-26,30-31,33-42H,3-6H2,1-2H3,(H,29,32)(H,43,44)/t7-,9-,10+,11-,12+,13+,14+,15+,16+,17+,18-,19+,20+,21+,22+,23+,24-,25-,26+,28-/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
E-selectin


(Homo sapiens (Human))		BDBM50050454
PNG
(CHEMBL177789 | O-(3-O-Sulfo-beta-D-galactopyranosy...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@H](CO[C@H](CO)[C@H]2O[C@@H]2O[C@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)[C@H]2O)NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C19H33NO17S/c1-5-9(23)10(24)12(26)18(33-5)34-14-7(20-6(2)22)4-32-8(3-21)15(14)35-19-13(27)11(25)16(17(28)36-19)37-38(29,30)31/h5,7-19,21,23-28H,3-4H2,1-2H3,(H,20,22)(H,29,30,31)/p-1/t5-,7-,8+,9+,10+,11+,12-,13+,14+,15+,16+,17-,18-,19+/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 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
L-selectin


(Homo sapiens (Human))		BDBM50050454
PNG
(CHEMBL177789 | O-(3-O-Sulfo-beta-D-galactopyranosy...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@H](CO[C@H](CO)[C@H]2O[C@@H]2O[C@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)[C@H]2O)NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C19H33NO17S/c1-5-9(23)10(24)12(26)18(33-5)34-14-7(20-6(2)22)4-32-8(3-21)15(14)35-19-13(27)11(25)16(17(28)36-19)37-38(29,30)31/h5,7-19,21,23-28H,3-4H2,1-2H3,(H,20,22)(H,29,30,31)/p-1/t5-,7-,8+,9+,10+,11+,12-,13+,14+,15+,16+,17-,18-,19+/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
L-selectin


(Homo sapiens (Human))		BDBM50050459
PNG
(CHEMBL362419 | O-(3-O-Sulfo-beta-D-galactopyranosy...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)CO[C@H](CO)[C@H]2O[C@@H]2O[C@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C17H30O17S/c1-4-7(20)8(21)10(23)16(30-4)31-12-5(19)3-29-6(2-18)13(12)32-17-11(24)9(22)14(15(25)33-17)34-35(26,27)28/h4-25H,2-3H2,1H3,(H,26,27,28)/p-1/t4-,5-,6+,7+,8+,9+,10-,11+,12+,13+,14+,15-,16-,17+/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
E-selectin


(Homo sapiens (Human))		BDBM50050460
PNG
(CHEMBL175724 | sodium salt of 6-[2-Hydroxy-4-(2,3,...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2CCO[C@H](CO)[C@H]2O[C@@H]2O[C@H](O)[C@H](OP(O)([O-])=O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C17H31O16P/c1-5-8(19)9(20)11(22)16(29-5)30-6-2-3-28-7(4-18)13(6)31-17-12(23)10(21)14(15(24)32-17)33-34(25,26)27/h5-24H,2-4H2,1H3,(H2,25,26,27)/p-1/t5-,6+,7+,8+,9+,10+,11-,12+,13-,14+,15-,16-,17+/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 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
* indicates data uncertainty>20%