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PubMed code 8544173

Compile data set for download or QSAR
Found 37 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


(Mus musculus)		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 1.00E+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)


BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
L-selectin


(Mus musculus)		BDBM50422123
PNG
(CHEMBL2303953)
Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2cccc(CC#N)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H21NO6/c21-9-8-12-4-3-5-13(10-12)14-6-1-2-7-15(14)26-20-19(25)18(24)17(23)16(11-22)27-20/h1-7,10,16-20,22-25H,8,11H2/t16-,17-,18-,19+,20+/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
In vitro inhibitory activity against sialyl Lewis X expressing HL60 cell binding Selectin L

J Med Chem 38: 4976-84 (1996)


BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
L-selectin


(Mus musculus)		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 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)


BindingDB Entry DOI: 10.7270/Q2B56KCP
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 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)


BindingDB Entry DOI: 10.7270/Q2B56KCP
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 2.00E+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)


BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50422122
PNG
(CHEMBL2303951)
Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2ccc(cc2)C(=O)NC(CC(O)=O)C(O)=O)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C23H25NO11/c25-10-16-18(28)19(29)20(30)23(35-16)34-15-4-2-1-3-13(15)11-5-7-12(8-6-11)21(31)24-14(22(32)33)9-17(26)27/h1-8,14,16,18-20,23,25,28-30H,9-10H2,(H,24,31)(H,26,27)(H,32,33)/t14?,16-,18-,19-,20+,23+/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 inhibitory activity against sialyl Lewis X expressing HL60 cell binding Selectin P

J Med Chem 38: 4976-84 (1996)


BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50422135
PNG
(CHEMBL2303950)
Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2ccc(CC(O)=O)cc2)[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)27-14-4-2-1-3-13(14)12-7-5-11(6-8-12)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
In vitro inhibition of HL60 (human leukemia) cell binding to human recombinant e-selectin.

J Med Chem 38: 4976-84 (1996)


BindingDB Entry DOI: 10.7270/Q2B56KCP
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
In vitro inhibitory activity against sialyl Lewis X expressing HL60 cell binding Selectin P

J Med Chem 38: 4976-84 (1996)


BindingDB Entry DOI: 10.7270/Q2B56KCP
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 3.00E+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)


BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50048274
PNG
((S)-3-Phenyl-2-{[2'-(3,4,5-trihydroxy-6-hydroxymet...)
Show SMILES OCC1OC(Oc2ccccc2-c2ccc(cc2)C(=O)N[C@@H](Cc2ccccc2)C(O)=O)C(O)C(O)C1O
Show InChI InChI=1S/C28H29NO9/c30-15-22-23(31)24(32)25(33)28(38-22)37-21-9-5-4-8-19(21)17-10-12-18(13-11-17)26(34)29-20(27(35)36)14-16-6-2-1-3-7-16/h1-13,20,22-25,28,30-33H,14-15H2,(H,29,34)(H,35,36)/t20-,22?,23?,24?,25?,28?/m0/s1
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n/an/a 3.80E+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)


BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50422132
PNG
(CHEMBL2303947)
Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2ccc(cc2)C(=O)NCC(O)=O)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H23NO9/c23-10-15-17(26)18(27)19(28)21(31-15)30-14-4-2-1-3-13(14)11-5-7-12(8-6-11)20(29)22-9-16(24)25/h1-8,15,17-19,21,23,26-28H,9-10H2,(H,22,29)(H,24,25)/t15-,17-,18-,19+,21+/m1/s1
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n/an/a 4.60E+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)


BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50422125
PNG
(CHEMBL2303942)
Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2cccc(OCC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H22O9/c21-9-15-17(24)18(25)19(26)20(29-15)28-14-7-2-1-6-13(14)11-4-3-5-12(8-11)27-10-16(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 4.90E+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)


BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50422125
PNG
(CHEMBL2303942)
Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2cccc(OCC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H22O9/c21-9-15-17(24)18(25)19(26)20(29-15)28-14-7-2-1-6-13(14)11-4-3-5-12(8-11)27-10-16(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 4.90E+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)


BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
L-selectin


(Mus musculus)		BDBM50422122
PNG
(CHEMBL2303951)
Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2ccc(cc2)C(=O)NC(CC(O)=O)C(O)=O)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C23H25NO11/c25-10-16-18(28)19(29)20(30)23(35-16)34-15-4-2-1-3-13(15)11-5-7-12(8-6-11)21(31)24-14(22(32)33)9-17(26)27/h1-8,14,16,18-20,23,25,28-30H,9-10H2,(H,24,31)(H,26,27)(H,32,33)/t14?,16-,18-,19-,20+,23+/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
In vitro inhibitory activity against sialyl Lewis X expressing HL60 cell binding Selectin L

J Med Chem 38: 4976-84 (1996)


BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50422120
PNG
(CHEMBL2303952)
Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2ccc(OCC(O)=O)cc2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H22O9/c21-9-15-17(24)18(25)19(26)20(29-15)28-14-4-2-1-3-13(14)11-5-7-12(8-6-11)27-10-16(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 6.10E+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)


BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50422128
PNG
(CHEMBL2303929)
Show SMILES Cc1cc(cc(C)c1OCC(O)=O)-c1ccccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C22H26O9/c1-11-7-13(8-12(2)21(11)29-10-17(24)25)14-5-3-4-6-15(14)30-22-20(28)19(27)18(26)16(9-23)31-22/h3-8,16,18-20,22-23,26-28H,9-10H2,1-2H3,(H,24,25)/t16-,18-,19-,20+,22+/m1/s1
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n/an/a 6.90E+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)


BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50422123
PNG
(CHEMBL2303953)
Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2cccc(CC#N)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H21NO6/c21-9-8-12-4-3-5-13(10-12)14-6-1-2-7-15(14)26-20-19(25)18(24)17(23)16(11-22)27-20/h1-7,10,16-20,22-25H,8,11H2/t16-,17-,18-,19+,20+/m1/s1
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n/an/a 7.00E+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)


BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50422128
PNG
(CHEMBL2303929)
Show SMILES Cc1cc(cc(C)c1OCC(O)=O)-c1ccccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C22H26O9/c1-11-7-13(8-12(2)21(11)29-10-17(24)25)14-5-3-4-6-15(14)30-22-20(28)19(27)18(26)16(9-23)31-22/h3-8,16,18-20,22-23,26-28H,9-10H2,1-2H3,(H,24,25)/t16-,18-,19-,20+,22+/m1/s1
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n/an/a 8.00E+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)


BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50422127
PNG
(CHEMBL2303948)
Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2cccc(COCC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H24O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-2-1-6-14(15)13-5-3-4-12(8-13)10-28-11-17(23)24/h1-8,16,18-22,25-27H,9-11H2,(H,23,24)/t16-,18-,19-,20+,21+/m1/s1
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n/an/a 9.50E+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)


BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50422117
PNG
(CHEMBL2303943)
Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2ccc(cc2)C(=O)NC(Cc2ccccc2)C(O)=O)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C28H29NO9/c30-15-22-23(31)24(32)25(33)28(38-22)37-21-9-5-4-8-19(21)17-10-12-18(13-11-17)26(34)29-20(27(35)36)14-16-6-2-1-3-7-16/h1-13,20,22-25,28,30-33H,14-15H2,(H,29,34)(H,35,36)/t20?,22-,23-,24-,25+,28+/m1/s1
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n/an/a 1.15E+7n/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)


BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50422116
PNG
(CHEMBL2303939)
Show SMILES Cc1ccc(OCC(O)=O)cc1-c1ccccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H24O9/c1-11-6-7-12(28-10-17(23)24)8-14(11)13-4-2-3-5-15(13)29-21-20(27)19(26)18(25)16(9-22)30-21/h2-8,16,18-22,25-27H,9-10H2,1H3,(H,23,24)/t16-,18-,19-,20+,21+/m1/s1
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n/an/a 1.20E+7n/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)


BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50422119
PNG
(CHEMBL2303949)
Show SMILES CCOP(O)(=O)CCCc1cccc(c1)-c1ccccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C23H31O9P/c1-2-30-33(28,29)12-6-8-15-7-5-9-16(13-15)17-10-3-4-11-18(17)31-23-22(27)21(26)20(25)19(14-24)32-23/h3-5,7,9-11,13,19-27H,2,6,8,12,14H2,1H3,(H,28,29)/t19-,20-,21-,22+,23+/m1/s1
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n/an/a 1.24E+7n/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)


BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50422126
PNG
(CHEMBL2303928)
Show SMILES Cc1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(c1)-c1cccc(OCC(O)=O)c1 |r|
Show InChI InChI=1S/C21H24O9/c1-11-5-6-15(29-21-20(27)19(26)18(25)16(9-22)30-21)14(7-11)12-3-2-4-13(8-12)28-10-17(23)24/h2-8,16,18-22,25-27H,9-10H2,1H3,(H,23,24)/t16-,18-,19-,20+,21+/m1/s1
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n/an/a 1.40E+7n/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)


BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50422121
PNG
(CHEMBL2303945)
Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2ccc(cc2)C(O)=O)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C19H20O8/c20-9-14-15(21)16(22)17(23)19(27-14)26-13-4-2-1-3-12(13)10-5-7-11(8-6-10)18(24)25/h1-8,14-17,19-23H,9H2,(H,24,25)/t14-,15-,16-,17+,19+/m1/s1
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n/an/a 1.46E+7n/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)


BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50048265
PNG
((S)-2-{[2'-(3,4,5-Trihydroxy-6-hydroxymethyl-tetra...)
Show SMILES OCC1OC(Oc2ccccc2-c2cccc(c2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)C(O)C1O
Show InChI InChI=1S/C24H27NO11/c26-11-17-19(29)20(30)21(31)24(36-17)35-16-7-2-1-6-14(16)12-4-3-5-13(10-12)22(32)25-15(23(33)34)8-9-18(27)28/h1-7,10,15,17,19-21,24,26,29-31H,8-9,11H2,(H,25,32)(H,27,28)(H,33,34)/t15-,17?,19?,20?,21?,24?/m0/s1
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n/an/a 1.58E+7n/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)


BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50048259
PNG
(CHEMBL145866 | Lithium; 2'-(3,4,5-trihydroxy-6-hyd...)
Show SMILES OCC1OC(Oc2ccccc2-c2cccc(c2)C([O-])=O)C(O)C(O)C1O
Show InChI InChI=1S/C19H20O8/c20-9-14-15(21)16(22)17(23)19(27-14)26-13-7-2-1-6-12(13)10-4-3-5-11(8-10)18(24)25/h1-8,14-17,19-23H,9H2,(H,24,25)/p-1
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n/an/a 1.60E+7n/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)


BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
L-selectin


(Mus musculus)		BDBM50422125
PNG
(CHEMBL2303942)
Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2cccc(OCC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H22O9/c21-9-15-17(24)18(25)19(26)20(29-15)28-14-7-2-1-6-13(14)11-4-3-5-12(8-11)27-10-16(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 1.70E+7n/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)


BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50422134
PNG
(CHEMBL2303933)
Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2cccc(OC(C(O)=O)c3ccccc3)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C26H26O9/c27-14-20-21(28)22(29)23(30)26(35-20)34-19-12-5-4-11-18(19)16-9-6-10-17(13-16)33-24(25(31)32)15-7-2-1-3-8-15/h1-13,20-24,26-30H,14H2,(H,31,32)/t20-,21-,22-,23+,24?,26+/m1/s1
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n/an/a 1.70E+7n/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)


BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50422130
PNG
(CHEMBL2303935)
Show SMILES CC(C(O)=O)c1cccc(c1)-c1ccccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H24O8/c1-11(20(26)27)12-5-4-6-13(9-12)14-7-2-3-8-15(14)28-21-19(25)18(24)17(23)16(10-22)29-21/h2-9,11,16-19,21-25H,10H2,1H3,(H,26,27)/t11?,16-,17-,18-,19+,21+/m1/s1
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n/an/a 2.00E+7n/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)


BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50422130
PNG
(CHEMBL2303935)
Show SMILES CC(C(O)=O)c1cccc(c1)-c1ccccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H24O8/c1-11(20(26)27)12-5-4-6-13(9-12)14-7-2-3-8-15(14)28-21-19(25)18(24)17(23)16(10-22)29-21/h2-9,11,16-19,21-25H,10H2,1H3,(H,26,27)/t11?,16-,17-,18-,19+,21+/m1/s1
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n/an/a 2.00E+7n/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)


BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
P-selectin


(Homo sapiens (Human))		BDBM50422120
PNG
(CHEMBL2303952)
Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2ccc(OCC(O)=O)cc2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H22O9/c21-9-15-17(24)18(25)19(26)20(29-15)28-14-4-2-1-3-13(14)11-5-7-12(8-6-11)27-10-16(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 2.00E+7n/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)


BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50422118
PNG
(CHEMBL2303931)
Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2ccccc2OCC(O)=O)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H22O9/c21-9-15-17(24)18(25)19(26)20(29-15)28-14-8-4-2-6-12(14)11-5-1-3-7-13(11)27-10-16(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 2.00E+7n/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)


BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50422124
PNG
(CHEMBL2303954)
Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2cccc(CCS(O)(=O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H24O9S/c21-11-16-17(22)18(23)19(24)20(29-16)28-15-7-2-1-6-14(15)13-5-3-4-12(10-13)8-9-30(25,26)27/h1-7,10,16-24H,8-9,11H2,(H,25,26,27)/t16-,17-,18-,19+,20+/m1/s1
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n/an/a 2.00E+7n/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)


BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50422116
PNG
(CHEMBL2303939)
Show SMILES Cc1ccc(OCC(O)=O)cc1-c1ccccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H24O9/c1-11-6-7-12(28-10-17(23)24)8-14(11)13-4-2-3-5-15(13)29-21-20(27)19(26)18(25)16(9-22)30-21/h2-8,16,18-22,25-27H,9-10H2,1H3,(H,23,24)/t16-,18-,19-,20+,21+/m1/s1
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n/an/a 2.02E+7n/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)


BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50422133
PNG
(CHEMBL2303937)
Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C24H27NO11/c26-11-17-19(29)20(30)21(31)24(36-17)35-16-4-2-1-3-14(16)12-5-7-13(8-6-12)22(32)25-15(23(33)34)9-10-18(27)28/h1-8,15,17,19-21,24,26,29-31H,9-11H2,(H,25,32)(H,27,28)(H,33,34)/t15?,17-,19-,20-,21+,24+/m1/s1
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n/an/a 3.20E+7n/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)


BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50422119
PNG
(CHEMBL2303949)
Show SMILES CCOP(O)(=O)CCCc1cccc(c1)-c1ccccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C23H31O9P/c1-2-30-33(28,29)12-6-8-15-7-5-9-16(13-15)17-10-3-4-11-18(17)31-23-22(27)21(26)20(25)19(14-24)32-23/h3-5,7,9-11,13,19-27H,2,6,8,12,14H2,1H3,(H,28,29)/t19-,20-,21-,22+,23+/m1/s1
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n/an/a 3.44E+7n/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)


BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))		BDBM50422129
PNG
(CHEMBL2303940)
Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2ccc(cc2)C(=O)NCCC(O)=O)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C22H25NO9/c24-11-16-18(27)19(28)20(29)22(32-16)31-15-4-2-1-3-14(15)12-5-7-13(8-6-12)21(30)23-10-9-17(25)26/h1-8,16,18-20,22,24,27-29H,9-11H2,(H,23,30)(H,25,26)/t16-,18-,19-,20+,22+/m1/s1
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n/an/a 3.60E+7n/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)


BindingDB Entry DOI: 10.7270/Q2B56KCP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%