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24 similar compounds to monomer 50360451

Compile data set for download or QSAR
Wt: 1032.9
BDBM50051835
Wt: 749.6
BDBM50050456
Wt: 733.6
BDBM50050458
Wt: 790.7
BDBM50050461
Wt: 820.7
BDBM50056133
Wt: 309.2
BDBM50063302
Purchase
Wt: 1069.0
BDBM50072069
Wt: 309.2
BDBM50078332
Purchase
Wt: 309.2
BDBM50092141
Wt: 820.7
BDBM50288934
Wt: 1058.0
BDBM50320699
Wt: 773.8
BDBM50354048
Wt: 1064.9
BDBM50354049
Wt: 774.6
BDBM50354050
Wt: 820.7
BDBM50373698
Purchase
Displayed 1 to 15 (of 22 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 34 hits for monomerid = 50051835,50050456,50050458,50050461,50056133,50063302,50072069,50078332,50092141,50288934,50320699,50354048,50354049,50354050,50373698   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Selectin E


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



Cytel Corporation

Curated by ChEMBL


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


J Med Chem 39: 1357-60 (1996)


Article DOI: 10.1021/jm9600611
BindingDB Entry DOI: 10.7270/Q22R3QQ2
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50288934
PNG
(2-[3,5-dihydroxy-2-(6-hydroxy-2-hydroxymethyl-4-ox...)
Show SMILES CC1OC(OC2C(NC(C)=O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@@H](O)[C@H](O)CO)C(O)=O)C2O)C(O)C(O)C1O
Show InChI InChI=1S/C31H52N2O23/c1-8-17(41)20(44)21(45)28(50-8)54-25-16(33-10(3)38)27(47)51-14(7-36)23(25)53-29-22(46)26(19(43)13(6-35)52-29)56-31(30(48)49)4-11(39)15(32-9(2)37)24(55-31)18(42)12(40)5-34/h8,11-29,34-36,39-47H,4-7H2,1-3H3,(H,32,37)(H,33,38)(H,48,49)/t8?,11?,12-,13?,14?,15?,16?,17?,18+,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?/m1/s1
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n/an/a 3.40E+6n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of P-selectin in human HL-60 cells


J Med Chem 53: 6003-17 (2010)


Article DOI: 10.1021/jm9013696
BindingDB Entry DOI: 10.7270/Q2R211M0
More data for this
Ligand-Target Pair
Selectin E


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



Kanebo Ltd.

Curated by ChEMBL


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


J Med Chem 40: 362-9 (1997)


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


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



Kanebo Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Selectin P expressed in endothelial cells


J Med Chem 40: 362-9 (1997)


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


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



Drug Delivery System Institute, Ltd.

Curated by ChEMBL


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


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


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


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



University of Alabama at Birmingham

Curated by ChEMBL


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


J Med Chem 42: 2332-43 (1999)


Article DOI: 10.1021/jm980707k
BindingDB Entry DOI: 10.7270/Q25B01NJ
More data for this
Ligand-Target Pair
CD22


(Homo sapiens (Human))
BDBM50320699
PNG
((2R,4S,5R,6S)-5-acetamido-2-((2S,3R,4S,5S,6R)-2-((...)
Show SMILES CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](OCC[Si](C)(C)C)[C@H](O)[C@H]3O)[C@@H]2O)(O[C@@H]1[C@H](O)[C@H](O)CO)C(O)=O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@@H]([C@H](O)CO)[C@H](O)[C@H]2O)[C@H]1O
Show InChI InChI=1/C40H71NO29Si/c1-13(47)41-20-16(62-37-28(57)33(22(51)17(10-44)63-37)68-36-27(56)24(53)30(66-36)15(49)9-43)7-40(39(59)60,69-32(20)21(50)14(48)8-42)70-34-23(52)18(11-45)64-38(29(34)58)67-31-19(12-46)65-35(26(55)25(31)54)61-5-6-71(2,3)4/h14-38,42-46,48-58H,5-12H2,1-4H3,(H,41,47)(H,59,60)/t14-,15-,16+,17-,18-,19-,20-,21-,22+,23+,24-,25-,26-,27-,28-,29-,30+,31-,32+,33+,34+,35-,36+,37+,38+,40+/s2
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n/an/an/a 2.00E+6n/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity to human SIGLEC2 by saturation transfer difference-titration assay


Bioorg Med Chem 18: 3720-5 (2010)


Article DOI: 10.1016/j.bmc.2010.03.062
BindingDB Entry DOI: 10.7270/Q2TT4R4R
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Homo sapiens (Human))
BDBM50354048
PNG
(CHEMBL1836307)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](OCC[Si](C)(C)C)[C@@H]3NC(C)=O)[C@@H]2O)(O[C@H]1[C@H](O)[C@H](O)CO)C([O-])=O
Show InChI InChI=1/C30H54N2O19Si/c1-12(36)31-18-14(38)8-30(29(44)45,50-25(18)20(40)15(39)9-33)51-26-22(42)17(11-35)48-28(23(26)43)49-24-19(32-13(2)37)27(46-6-7-52(3,4)5)47-16(10-34)21(24)41/h14-28,33-35,38-43H,6-11H2,1-5H3,(H,31,36)(H,32,37)(H,44,45)/p-1/t14-,15+,16+,17+,18+,19+,20+,21-,22-,23+,24+,25+,26-,27+,28-,30-/s2
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n/an/an/a 1.80E+5n/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MAG


Bioorg Med Chem Lett 21: 5045-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.068
BindingDB Entry DOI: 10.7270/Q2WD40ZW
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Homo sapiens (Human))
BDBM50354049
PNG
(CHEMBL1836306)
Show SMILES C[C@@H](O[C@H]1O[C@H](CO[C@@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O2)[C@H](O)[C@H](O)CO)C([O-])=O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C([O-])=O)[C@H]2O)[C@H]1NC(C)=O)[C@H](N)C(O)=O
Show InChI InChI=1/C40H66N4O29/c1-11(21(41)34(60)61)67-35-24(44-14(4)50)30(28(58)20(69-35)10-66-39(37(62)63)5-15(51)22(42-12(2)48)31(71-39)25(55)17(53)7-45)70-36-29(59)33(27(57)19(9-47)68-36)73-40(38(64)65)6-16(52)23(43-13(3)49)32(72-40)26(56)18(54)8-46/h11,15-33,35-36,45-47,51-59H,5-10,41H2,1-4H3,(H,42,48)(H,43,49)(H,44,50)(H,60,61)(H,62,63)(H,64,65)/p-2/t11-,15+,16+,17-,18-,19-,20-,21+,22-,23-,24-,25-,26-,27+,28+,29-,30-,31-,32-,33+,35+,36+,39-,40+/s2
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n/an/a 300n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAG


Bioorg Med Chem Lett 21: 5045-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.068
BindingDB Entry DOI: 10.7270/Q2WD40ZW
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Homo sapiens (Human))
BDBM50354050
PNG
(CHEMBL1836310)
Show SMILES C[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C([O-])=O)[C@H]2O)[C@H]1NC(C)=O)[C@H](N)C(O)=O
Show InChI InChI=1/C29H49N3O21/c1-8(15(30)25(44)45)48-26-17(32-10(3)37)22(19(41)13(6-34)49-26)51-27-21(43)24(20(42)14(7-35)50-27)53-29(28(46)47)4-11(38)16(31-9(2)36)23(52-29)18(40)12(39)5-33/h8,11-24,26-27,33-35,38-43H,4-7,30H2,1-3H3,(H,31,36)(H,32,37)(H,44,45)(H,46,47)/p-1/t8-,11+,12-,13-,14-,15+,16-,17-,18-,19+,20+,21-,22-,23-,24+,26+,27+,29+/s2
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n/an/a 1.20E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAG


Bioorg Med Chem Lett 21: 5045-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.068
BindingDB Entry DOI: 10.7270/Q2WD40ZW
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(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

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/P-selectin glycoprotein ligand 1


(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

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/P-selectin glycoprotein ligand 1


(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

Curated by ChEMBL


Assay Description
Inhibitory activity against human chimeric Selectin P-Ig


J Med Chem 39: 1339-43 (1996)


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


(Homo sapiens (Human))
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

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
Leukocyte adhesion molecule-1


(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

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
Leukocyte adhesion molecule-1


(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

Curated by ChEMBL


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


J Med Chem 39: 1339-43 (1996)


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


(Homo sapiens (Human))
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

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
Selectin E


(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

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
Selectin E


(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

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/P-selectin glycoprotein ligand 1


(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



Kanebo Ltd.

Curated by ChEMBL


Assay Description
Blocking activity on Selectin P ligand binding


J Med Chem 39: 4547-53 (1996)


Article DOI: 10.1021/jm960134g
BindingDB Entry DOI: 10.7270/Q2CN74KH
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50288934
PNG
(2-[3,5-dihydroxy-2-(6-hydroxy-2-hydroxymethyl-4-ox...)
Show SMILES CC1OC(OC2C(NC(C)=O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@@H](O)[C@H](O)CO)C(O)=O)C2O)C(O)C(O)C1O
Show InChI InChI=1S/C31H52N2O23/c1-8-17(41)20(44)21(45)28(50-8)54-25-16(33-10(3)38)27(47)51-14(7-36)23(25)53-29-22(46)26(19(43)13(6-35)52-29)56-31(30(48)49)4-11(39)15(32-9(2)37)24(55-31)18(42)12(40)5-34/h8,11-29,34-36,39-47H,4-7H2,1-3H3,(H,32,37)(H,33,38)(H,48,49)/t8?,11?,12-,13?,14?,15?,16?,17?,18+,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
Blocking activity on Selectin P ligand binding


J Med Chem 39: 4547-53 (1996)


Article DOI: 10.1021/jm960134g
BindingDB Entry DOI: 10.7270/Q2CN74KH
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(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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Kanebo Ltd.

Curated by ChEMBL


Assay Description
Blocking activity on Selectin P ligand binding


J Med Chem 39: 4547-53 (1996)


Article DOI: 10.1021/jm960134g
BindingDB Entry DOI: 10.7270/Q2CN74KH
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(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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Kanebo Ltd.

Curated by ChEMBL


Assay Description
Blocking activity on Selectin P ligand binding


J Med Chem 39: 4547-53 (1996)


Article DOI: 10.1021/jm960134g
BindingDB Entry DOI: 10.7270/Q2CN74KH
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM50063302
PNG
(5-N-ACETYL-BETA-D-NEURAMINIC ACID | 5-acetamido-3,...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11-/s2
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n/an/a 1.00E+6n/an/an/an/an/an/a



Glaxo Wellcome Research and Development Limited

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory concentration against Influenza sialidase type B


J Med Chem 41: 798-807 (1998)


Article DOI: 10.1021/jm9703754
BindingDB Entry DOI: 10.7270/Q2M32WFK
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM50063302
PNG
(5-N-ACETYL-BETA-D-NEURAMINIC ACID | 5-acetamido-3,...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11-/s2
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n/an/a 1.00E+6n/an/an/an/an/an/a



Glaxo Wellcome Research and Development Limited

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory concentration against Influenza sialidase type A


J Med Chem 41: 798-807 (1998)


Article DOI: 10.1021/jm9703754
BindingDB Entry DOI: 10.7270/Q2M32WFK
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM50092141
PNG
(5-(1-Acetylamino-2,3,4-trihydroxy-butyl)-2,4-dihyd...)
Show SMILES CC(=O)N[C@@H]([C@H](O)[C@H](O)CO)[C@H]1OC(O)(C[C@@H]1O)C(O)=O
Show InChI InChI=1S/C11H19NO9/c1-4(14)12-7(8(17)6(16)3-13)9-5(15)2-11(20,21-9)10(18)19/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7-,8+,9-,11?/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



BioCryst Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
inhibitory concentration required to inhibit neuraminidase enzyme from different strains of influenza A virus


J Med Chem 43: 3482-6 (2000)


Article DOI: 10.1021/jm0002679
BindingDB Entry DOI: 10.7270/Q2Q81DSJ
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50288934
PNG
(2-[3,5-dihydroxy-2-(6-hydroxy-2-hydroxymethyl-4-ox...)
Show SMILES CC1OC(OC2C(NC(C)=O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@@H](O)[C@H](O)CO)C(O)=O)C2O)C(O)C(O)C1O
Show InChI InChI=1S/C31H52N2O23/c1-8-17(41)20(44)21(45)28(50-8)54-25-16(33-10(3)38)27(47)51-14(7-36)23(25)53-29-22(46)26(19(43)13(6-35)52-29)56-31(30(48)49)4-11(39)15(32-9(2)37)24(55-31)18(42)12(40)5-34/h8,11-29,34-36,39-47H,4-7H2,1-3H3,(H,32,37)(H,33,38)(H,48,49)/t8?,11?,12-,13?,14?,15?,16?,17?,18+,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Ontogen Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against P-selectin using ELISA-based assay


J Med Chem 44: 2094-107 (2001)


Article DOI: 10.1021/jm000508c
BindingDB Entry DOI: 10.7270/Q2VH5PHF
More data for this
Ligand-Target Pair
Selectin E


(Mus musculus)
BDBM50288934
PNG
(2-[3,5-dihydroxy-2-(6-hydroxy-2-hydroxymethyl-4-ox...)
Show SMILES CC1OC(OC2C(NC(C)=O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@@H](O)[C@H](O)CO)C(O)=O)C2O)C(O)C(O)C1O
Show InChI InChI=1S/C31H52N2O23/c1-8-17(41)20(44)21(45)28(50-8)54-25-16(33-10(3)38)27(47)51-14(7-36)23(25)53-29-22(46)26(19(43)13(6-35)52-29)56-31(30(48)49)4-11(39)15(32-9(2)37)24(55-31)18(42)12(40)5-34/h8,11-29,34-36,39-47H,4-7H2,1-3H3,(H,32,37)(H,33,38)(H,48,49)/t8?,11?,12-,13?,14?,15?,16?,17?,18+,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?/m1/s1
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n/an/a 5.80E+5n/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Evaluated for the inhibitory activity against Selectin E


J Med Chem 43: 1476-83 (2000)


Article DOI: 10.1021/jm990342j
BindingDB Entry DOI: 10.7270/Q2K64JRZ
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50373698
PNG
(CHEMBL271398)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-8-17(41)20(44)21(45)28(50-8)54-25-16(33-10(3)38)27(47)51-14(7-36)23(25)53-29-22(46)26(19(43)13(6-35)52-29)56-31(30(48)49)4-11(39)15(32-9(2)37)24(55-31)18(42)12(40)5-34/h8,11-29,34-36,39-47H,4-7H2,1-3H3,(H,32,37)(H,33,38)(H,48,49)/t8-,11-,12+,13+,14+,15+,16+,17+,18+,19-,20+,21-,22+,23+,24+,25+,26-,27+,28-,29-,31-/m0/s1
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n/an/a 1.00E+6n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to E-selectin


Bioorg Med Chem 16: 1046-56 (2008)


Article DOI: 10.1016/j.bmc.2007.07.025
BindingDB Entry DOI: 10.7270/Q2QC04CH
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50288934
PNG
(2-[3,5-dihydroxy-2-(6-hydroxy-2-hydroxymethyl-4-ox...)
Show SMILES CC1OC(OC2C(NC(C)=O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@@H](O)[C@H](O)CO)C(O)=O)C2O)C(O)C(O)C1O
Show InChI InChI=1S/C31H52N2O23/c1-8-17(41)20(44)21(45)28(50-8)54-25-16(33-10(3)38)27(47)51-14(7-36)23(25)53-29-22(46)26(19(43)13(6-35)52-29)56-31(30(48)49)4-11(39)15(32-9(2)37)24(55-31)18(42)12(40)5-34/h8,11-29,34-36,39-47H,4-7H2,1-3H3,(H,32,37)(H,33,38)(H,48,49)/t8?,11?,12-,13?,14?,15?,16?,17?,18+,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?/m1/s1
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n/an/a>4.00E+6n/an/an/an/an/an/a



Revotar Biopharmaceuticals AG

Curated by ChEMBL


Assay Description
Inhibition of human P-selectin after 2 hrs


J Med Chem 50: 1101-15 (2007)


Article DOI: 10.1021/jm060536g
BindingDB Entry DOI: 10.7270/Q2TB17Q6
More data for this
Ligand-Target Pair
Selectin E


(Homo sapiens (Human))
BDBM50288934
PNG
(2-[3,5-dihydroxy-2-(6-hydroxy-2-hydroxymethyl-4-ox...)
Show SMILES CC1OC(OC2C(NC(C)=O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@@H](O)[C@H](O)CO)C(O)=O)C2O)C(O)C(O)C1O
Show InChI InChI=1S/C31H52N2O23/c1-8-17(41)20(44)21(45)28(50-8)54-25-16(33-10(3)38)27(47)51-14(7-36)23(25)53-29-22(46)26(19(43)13(6-35)52-29)56-31(30(48)49)4-11(39)15(32-9(2)37)24(55-31)18(42)12(40)5-34/h8,11-29,34-36,39-47H,4-7H2,1-3H3,(H,32,37)(H,33,38)(H,48,49)/t8?,11?,12-,13?,14?,15?,16?,17?,18+,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?/m1/s1
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n/an/a 1.34E+5n/an/an/an/an/an/a



Revotar Biopharmaceuticals AG

Curated by ChEMBL


Assay Description
Inhibition of human E-selectin after 2 hrs


J Med Chem 50: 1101-15 (2007)


Article DOI: 10.1021/jm060536g
BindingDB Entry DOI: 10.7270/Q2TB17Q6
More data for this
Ligand-Target Pair
Leukocyte adhesion molecule-1


(Homo sapiens (Human))
BDBM50288934
PNG
(2-[3,5-dihydroxy-2-(6-hydroxy-2-hydroxymethyl-4-ox...)
Show SMILES CC1OC(OC2C(NC(C)=O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@@H](O)[C@H](O)CO)C(O)=O)C2O)C(O)C(O)C1O
Show InChI InChI=1S/C31H52N2O23/c1-8-17(41)20(44)21(45)28(50-8)54-25-16(33-10(3)38)27(47)51-14(7-36)23(25)53-29-22(46)26(19(43)13(6-35)52-29)56-31(30(48)49)4-11(39)15(32-9(2)37)24(55-31)18(42)12(40)5-34/h8,11-29,34-36,39-47H,4-7H2,1-3H3,(H,32,37)(H,33,38)(H,48,49)/t8?,11?,12-,13?,14?,15?,16?,17?,18+,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?/m1/s1
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n/an/a>4.00E+6n/an/an/an/an/an/a



Revotar Biopharmaceuticals AG

Curated by ChEMBL


Assay Description
Inhibition of human L-selectin after 2 hrs


J Med Chem 50: 1101-15 (2007)


Article DOI: 10.1021/jm060536g
BindingDB Entry DOI: 10.7270/Q2TB17Q6
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50288934
PNG
(2-[3,5-dihydroxy-2-(6-hydroxy-2-hydroxymethyl-4-ox...)
Show SMILES CC1OC(OC2C(NC(C)=O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@@H](O)[C@H](O)CO)C(O)=O)C2O)C(O)C(O)C1O
Show InChI InChI=1S/C31H52N2O23/c1-8-17(41)20(44)21(45)28(50-8)54-25-16(33-10(3)38)27(47)51-14(7-36)23(25)53-29-22(46)26(19(43)13(6-35)52-29)56-31(30(48)49)4-11(39)15(32-9(2)37)24(55-31)18(42)12(40)5-34/h8,11-29,34-36,39-47H,4-7H2,1-3H3,(H,32,37)(H,33,38)(H,48,49)/t8?,11?,12-,13?,14?,15?,16?,17?,18+,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?/m1/s1
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n/an/a 1.50E+7n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant PSGL-1 by surface plasmon resonance assay


J Med Chem 53: 6003-17 (2010)


Article DOI: 10.1021/jm9013696
BindingDB Entry DOI: 10.7270/Q2R211M0
More data for this
Ligand-Target Pair
Leukocyte adhesion molecule-1


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



Kanebo Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Selectin L expressed in endothelial cells


J Med Chem 40: 362-9 (1997)


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