Compile Data Set for Download or QSAR

Found 31 hits with Last Name = 'largeau' and Initial = 'c'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
E-selectin (Homo sapiens (Human))	BDBM50313785 ((2S,4S,5R,6R)-5-acetamido-2-((2S,3R,4S,5S,6R)-2-((...) Show SMILES C[C@@H]1O[C@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O |r| 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ et INSA de Rouen Curated by ChEMBL					Assay Description Inhibition of human recombinant E-Selectin assessed as inhibition of binding of HL-60 cells expressing tetrasaccharide sialyl Lewis x to selectin coa...				Bioorg Med Chem Lett 20: 1957-60 (2010) Article DOI: 10.1016/j.bmcl.2010.01.141 BindingDB Entry DOI: 10.7270/Q22Z15P9
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM50168310 (CHEMBL425373 | [ alpha-Neu5Ac-(2,3)-beta-D-Gal-(1,...) Show SMILES CC1OC(OC2C(NC(C)=O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(C3)[C@H](O)C(O)CO)C(O)=O)C2O)C(O)C(O)C1O Show InChI InChI=1S/C32H54N2O22/c1-9-19(42)22(45)23(46)29(51-9)55-26-18(34-11(3)39)28(48)52-16(8-37)25(26)54-30-24(47)27(21(44)15(7-36)53-30)56-32(31(49)50)4-12(20(43)14(41)6-35)17(13(40)5-32)33-10(2)38/h9,12-30,35-37,40-48H,4-8H2,1-3H3,(H,33,38)(H,34,39)(H,49,50)/t9?,12?,13?,14?,15?,16?,17?,18?,19?,20-,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,32?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of HL-60 cell adhesion to recombinant human Selectin E				Bioorg Med Chem Lett 15: 3224-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.004 BindingDB Entry DOI: 10.7270/Q23N22WB
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM50313791 (3-(2,2-difluoro-2-((2R,3S,4S,5S,6R)-3,4,5-trihydro...) Show SMILES OC[C@H]1O[C@H]([C@@H](O)[C@@H](O)[C@@H]1O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O |r| Show InChI InChI=1S/C15H17F2NO8/c16-15(17,12-11(22)10(21)9(20)8(5-19)26-12)14(25)18-7-3-1-2-6(4-7)13(23)24/h1-4,8-12,19-22H,5H2,(H,18,25)(H,23,24)/t8-,9-,10+,11+,12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ et INSA de Rouen Curated by ChEMBL					Assay Description Inhibition of human recombinant E-Selectin assessed as inhibition of binding of HL-60 cells expressing tetrasaccharide sialyl Lewis x to selectin coa...				Bioorg Med Chem Lett 20: 1957-60 (2010) Article DOI: 10.1016/j.bmcl.2010.01.141 BindingDB Entry DOI: 10.7270/Q22Z15P9
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50313791 (3-(2,2-difluoro-2-((2R,3S,4S,5S,6R)-3,4,5-trihydro...) Show SMILES OC[C@H]1O[C@H]([C@@H](O)[C@@H](O)[C@@H]1O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O |r| Show InChI InChI=1S/C15H17F2NO8/c16-15(17,12-11(22)10(21)9(20)8(5-19)26-12)14(25)18-7-3-1-2-6(4-7)13(23)24/h1-4,8-12,19-22H,5H2,(H,18,25)(H,23,24)/t8-,9-,10+,11+,12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ et INSA de Rouen Curated by ChEMBL					Assay Description Inhibition of human recombinant P-Selectin assessed as inhibition of binding of HL-60 cells expressing tetrasaccharide sialyl Lewis x to selectin coa...				Bioorg Med Chem Lett 20: 1957-60 (2010) Article DOI: 10.1016/j.bmcl.2010.01.141 BindingDB Entry DOI: 10.7270/Q22Z15P9
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50313788 ((S)-2-(2,2-difluoro-2-((2S,3S,4S,5S,6R)-3,4,5-trih...) Show SMILES OC[C@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@@H]1O)C(F)(F)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C13H19F2NO10/c14-13(15,10-9(22)8(21)7(20)5(3-17)26-10)12(25)16-4(11(23)24)1-2-6(18)19/h4-5,7-10,17,20-22H,1-3H2,(H,16,25)(H,18,19)(H,23,24)/t4-,5+,7+,8-,9-,10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ et INSA de Rouen Curated by ChEMBL					Assay Description Inhibition of human recombinant P-Selectin assessed as inhibition of binding of HL-60 cells expressing tetrasaccharide sialyl Lewis x to selectin coa...				Bioorg Med Chem Lett 20: 1957-60 (2010) Article DOI: 10.1016/j.bmcl.2010.01.141 BindingDB Entry DOI: 10.7270/Q22Z15P9
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM50313788 ((S)-2-(2,2-difluoro-2-((2S,3S,4S,5S,6R)-3,4,5-trih...) Show SMILES OC[C@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@@H]1O)C(F)(F)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C13H19F2NO10/c14-13(15,10-9(22)8(21)7(20)5(3-17)26-10)12(25)16-4(11(23)24)1-2-6(18)19/h4-5,7-10,17,20-22H,1-3H2,(H,16,25)(H,18,19)(H,23,24)/t4-,5+,7+,8-,9-,10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ et INSA de Rouen Curated by ChEMBL					Assay Description Inhibition of human recombinant E-Selectin assessed as inhibition of binding of HL-60 cells expressing tetrasaccharide sialyl Lewis x to selectin coa...				Bioorg Med Chem Lett 20: 1957-60 (2010) Article DOI: 10.1016/j.bmcl.2010.01.141 BindingDB Entry DOI: 10.7270/Q22Z15P9
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50313785 ((2S,4S,5R,6R)-5-acetamido-2-((2S,3R,4S,5S,6R)-2-((...) Show SMILES C[C@@H]1O[C@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O |r| 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ et INSA de Rouen Curated by ChEMBL					Assay Description Inhibition of human recombinant P-Selectin assessed as inhibition of binding of HL-60 cells expressing tetrasaccharide sialyl Lewis x to selectin coa...				Bioorg Med Chem Lett 20: 1957-60 (2010) Article DOI: 10.1016/j.bmcl.2010.01.141 BindingDB Entry DOI: 10.7270/Q22Z15P9
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM50313789 (3-(2,2-difluoro-2-((2S,3S,4S,5S,6R)-3,4,5-trihydro...) Show SMILES OC[C@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@@H]1O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O |r| Show InChI InChI=1S/C15H17F2NO8/c16-15(17,12-11(22)10(21)9(20)8(5-19)26-12)14(25)18-7-3-1-2-6(4-7)13(23)24/h1-4,8-12,19-22H,5H2,(H,18,25)(H,23,24)/t8-,9-,10+,11+,12+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ et INSA de Rouen Curated by ChEMBL					Assay Description Inhibition of human recombinant E-Selectin assessed as inhibition of binding of HL-60 cells expressing tetrasaccharide sialyl Lewis x to selectin coa...				Bioorg Med Chem Lett 20: 1957-60 (2010) Article DOI: 10.1016/j.bmcl.2010.01.141 BindingDB Entry DOI: 10.7270/Q22Z15P9
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50313789 (3-(2,2-difluoro-2-((2S,3S,4S,5S,6R)-3,4,5-trihydro...) Show SMILES OC[C@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@@H]1O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O |r| Show InChI InChI=1S/C15H17F2NO8/c16-15(17,12-11(22)10(21)9(20)8(5-19)26-12)14(25)18-7-3-1-2-6(4-7)13(23)24/h1-4,8-12,19-22H,5H2,(H,18,25)(H,23,24)/t8-,9-,10+,11+,12+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ et INSA de Rouen Curated by ChEMBL					Assay Description Inhibition of human recombinant P-Selectin assessed as inhibition of binding of HL-60 cells expressing tetrasaccharide sialyl Lewis x to selectin coa...				Bioorg Med Chem Lett 20: 1957-60 (2010) Article DOI: 10.1016/j.bmcl.2010.01.141 BindingDB Entry DOI: 10.7270/Q22Z15P9
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM50313787 (3-(2,2-difluoro-2-((2R,3S,4S,5S,6R)-2,3,4,5-tetrah...) Show SMILES OC[C@H]1O[C@](O)([C@@H](O)[C@@H](O)[C@@H]1O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O |r| Show InChI InChI=1S/C15H17F2NO9/c16-14(17,13(25)18-7-3-1-2-6(4-7)12(23)24)15(26)11(22)10(21)9(20)8(5-19)27-15/h1-4,8-11,19-22,26H,5H2,(H,18,25)(H,23,24)/t8-,9-,10+,11+,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ et INSA de Rouen Curated by ChEMBL					Assay Description Inhibition of human recombinant E-Selectin assessed as inhibition of binding of HL-60 cells expressing tetrasaccharide sialyl Lewis x to selectin coa...				Bioorg Med Chem Lett 20: 1957-60 (2010) Article DOI: 10.1016/j.bmcl.2010.01.141 BindingDB Entry DOI: 10.7270/Q22Z15P9
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM50313792 (CHEMBL1088214 | beta-mannosylglutamate) Show SMILES OC[C@H]1O[C@H](N[C@@H](CCC(O)=O)C(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C11H19NO9/c13-3-5-7(16)8(17)9(18)10(21-5)12-4(11(19)20)1-2-6(14)15/h4-5,7-10,12-13,16-18H,1-3H2,(H,14,15)(H,19,20)/t4-,5+,7+,8-,9-,10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ et INSA de Rouen Curated by ChEMBL					Assay Description Inhibition of human recombinant E-Selectin assessed as inhibition of binding of HL-60 cells expressing tetrasaccharide sialyl Lewis x to selectin coa...				Bioorg Med Chem Lett 20: 1957-60 (2010) Article DOI: 10.1016/j.bmcl.2010.01.141 BindingDB Entry DOI: 10.7270/Q22Z15P9
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50313787 (3-(2,2-difluoro-2-((2R,3S,4S,5S,6R)-2,3,4,5-tetrah...) Show SMILES OC[C@H]1O[C@](O)([C@@H](O)[C@@H](O)[C@@H]1O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O |r| Show InChI InChI=1S/C15H17F2NO9/c16-14(17,13(25)18-7-3-1-2-6(4-7)12(23)24)15(26)11(22)10(21)9(20)8(5-19)27-15/h1-4,8-11,19-22,26H,5H2,(H,18,25)(H,23,24)/t8-,9-,10+,11+,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ et INSA de Rouen Curated by ChEMBL					Assay Description Inhibition of human recombinant P-Selectin assessed as inhibition of binding of HL-60 cells expressing tetrasaccharide sialyl Lewis x to selectin coa...				Bioorg Med Chem Lett 20: 1957-60 (2010) Article DOI: 10.1016/j.bmcl.2010.01.141 BindingDB Entry DOI: 10.7270/Q22Z15P9
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50313790 ((S)-2-(2,2-difluoro-2-((2R,3S,4S,5S,6R)-3,4,5-trih...) Show SMILES OC[C@H]1O[C@H]([C@@H](O)[C@@H](O)[C@@H]1O)C(F)(F)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C13H19F2NO10/c14-13(15,10-9(22)8(21)7(20)5(3-17)26-10)12(25)16-4(11(23)24)1-2-6(18)19/h4-5,7-10,17,20-22H,1-3H2,(H,16,25)(H,18,19)(H,23,24)/t4-,5+,7+,8-,9-,10+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+7	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ et INSA de Rouen Curated by ChEMBL					Assay Description Inhibition of human recombinant P-Selectin assessed as inhibition of binding of HL-60 cells expressing tetrasaccharide sialyl Lewis x to selectin coa...				Bioorg Med Chem Lett 20: 1957-60 (2010) Article DOI: 10.1016/j.bmcl.2010.01.141 BindingDB Entry DOI: 10.7270/Q22Z15P9
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM50313786 ((S)-2-(2,2-difluoro-2-((2R,3S,4S,5S,6R)-2,3,4,5-te...) Show SMILES OC[C@H]1O[C@](O)([C@@H](O)[C@@H](O)[C@@H]1O)C(F)(F)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C13H19F2NO11/c14-12(15,11(25)16-4(10(23)24)1-2-6(18)19)13(26)9(22)8(21)7(20)5(3-17)27-13/h4-5,7-9,17,20-22,26H,1-3H2,(H,16,25)(H,18,19)(H,23,24)/t4-,5+,7+,8-,9-,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+7	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ et INSA de Rouen Curated by ChEMBL					Assay Description Inhibition of human recombinant E-Selectin assessed as inhibition of binding of HL-60 cells expressing tetrasaccharide sialyl Lewis x to selectin coa...				Bioorg Med Chem Lett 20: 1957-60 (2010) Article DOI: 10.1016/j.bmcl.2010.01.141 BindingDB Entry DOI: 10.7270/Q22Z15P9
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50313786 ((S)-2-(2,2-difluoro-2-((2R,3S,4S,5S,6R)-2,3,4,5-te...) Show SMILES OC[C@H]1O[C@](O)([C@@H](O)[C@@H](O)[C@@H]1O)C(F)(F)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C13H19F2NO11/c14-12(15,11(25)16-4(10(23)24)1-2-6(18)19)13(26)9(22)8(21)7(20)5(3-17)27-13/h4-5,7-9,17,20-22,26H,1-3H2,(H,16,25)(H,18,19)(H,23,24)/t4-,5+,7+,8-,9-,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+7	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ et INSA de Rouen Curated by ChEMBL					Assay Description Inhibition of human recombinant P-Selectin assessed as inhibition of binding of HL-60 cells expressing tetrasaccharide sialyl Lewis x to selectin coa...				Bioorg Med Chem Lett 20: 1957-60 (2010) Article DOI: 10.1016/j.bmcl.2010.01.141 BindingDB Entry DOI: 10.7270/Q22Z15P9
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50168310 (CHEMBL425373 | [ alpha-Neu5Ac-(2,3)-beta-D-Gal-(1,...) Show SMILES CC1OC(OC2C(NC(C)=O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(C3)[C@H](O)C(O)CO)C(O)=O)C2O)C(O)C(O)C1O Show InChI InChI=1S/C32H54N2O22/c1-9-19(42)22(45)23(46)29(51-9)55-26-18(34-11(3)39)28(48)52-16(8-37)25(26)54-30-24(47)27(21(44)15(7-36)53-30)56-32(31(49)50)4-12(20(43)14(41)6-35)17(13(40)5-32)33-10(2)38/h9,12-30,35-37,40-48H,4-8H2,1-3H3,(H,33,38)(H,34,39)(H,49,50)/t9?,12?,13?,14?,15?,16?,17?,18?,19?,20-,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,32?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+7	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of HL-60 cell adhesion to recombinant human Selectin P				Bioorg Med Chem Lett 15: 3224-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.004 BindingDB Entry DOI: 10.7270/Q23N22WB
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM50313790 ((S)-2-(2,2-difluoro-2-((2R,3S,4S,5S,6R)-3,4,5-trih...) Show SMILES OC[C@H]1O[C@H]([C@@H](O)[C@@H](O)[C@@H]1O)C(F)(F)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C13H19F2NO10/c14-13(15,10-9(22)8(21)7(20)5(3-17)26-10)12(25)16-4(11(23)24)1-2-6(18)19/h4-5,7-10,17,20-22H,1-3H2,(H,16,25)(H,18,19)(H,23,24)/t4-,5+,7+,8-,9-,10+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+7	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ et INSA de Rouen Curated by ChEMBL					Assay Description Inhibition of human recombinant E-Selectin assessed as inhibition of binding of HL-60 cells expressing tetrasaccharide sialyl Lewis x to selectin coa...				Bioorg Med Chem Lett 20: 1957-60 (2010) Article DOI: 10.1016/j.bmcl.2010.01.141 BindingDB Entry DOI: 10.7270/Q22Z15P9
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50168307 (3-Methyl-2-[((3R,5R)-1,3,5-trihydroxy-4-(S)-hydrox...) Show SMILES CCC(C)[C@H](NC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@H](O)C1)C(O)=O |wU:8.8,13.13,15.15,wD:8.7,4.4,11.11,(-2.14,2.27,;-.81,3.04,;.52,2.27,;1.85,3.04,;.52,.74,;1.85,-.03,;3.17,.74,;3.17,2.27,;4.52,-.03,;5.85,.74,;3.19,-.8,;3.19,-2.35,;1.85,-3.13,;4.52,-3.12,;4.52,-4.66,;5.85,-2.35,;7.19,-3.13,;5.85,-.8,;-.81,-.03,;-2.14,.74,;-.81,-1.58,)| Show InChI InChI=1S/C13H23NO7/c1-3-6(2)9(11(18)19)14-12(20)13(21)4-7(15)10(17)8(16)5-13/h6-10,15-17,21H,3-5H2,1-2H3,(H,14,20)(H,18,19)/t6?,7-,8-,9+,10-,13+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+7	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of HL-60 cell adhesion to recombinant human Selectin P				Bioorg Med Chem Lett 15: 3224-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.004 BindingDB Entry DOI: 10.7270/Q23N22WB
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50168303 (3-Hydroxy-2-[((3R,5R)-1,3,5-trihydroxy-4-(S)-hydro...) Show SMILES OC[C@H](NC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@H](O)C1)C(O)=O |wU:6.6,11.11,13.13,wD:6.5,2.2,9.9,(1.73,1.74,;.4,.97,;.4,-.57,;1.73,-1.34,;3.06,-.57,;3.06,.97,;4.39,-1.34,;5.74,-.57,;3.06,-2.11,;3.06,-3.66,;1.73,-4.44,;4.39,-4.43,;4.39,-5.97,;5.74,-3.66,;7.08,-4.44,;5.74,-2.11,;-.93,-1.34,;-2.28,-.57,;-.93,-2.89,)| Show InChI InChI=1S/C10H17NO8/c12-3-4(8(16)17)11-9(18)10(19)1-5(13)7(15)6(14)2-10/h4-7,12-15,19H,1-3H2,(H,11,18)(H,16,17)/t4-,5+,6+,7-,10+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.95E+7	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of HL-60 cell adhesion to recombinant human Selectin P				Bioorg Med Chem Lett 15: 3224-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.004 BindingDB Entry DOI: 10.7270/Q23N22WB
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50168306 ((S)-2-[((3R,5R)-1,3,4,5-Tetrahydroxy-cyclohexaneca...) Show SMILES O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(=O)N[C@@H](CCC(O)=O)C(O)=O |wU:13.13,3.3,8.9,6.6,wD:3.10,1.0,(2.22,-3.74,;3.55,-2.96,;3.55,-1.41,;4.88,-.64,;6.23,.13,;6.23,-1.41,;6.23,-2.96,;7.57,-3.74,;4.88,-3.73,;4.88,-5.27,;3.55,.13,;3.55,1.67,;2.22,-.64,;.89,.13,;-.44,-.64,;-1.79,.13,;-3.12,-.64,;-4.46,.13,;-3.12,-2.19,;.89,1.67,;-.46,2.44,;2.22,2.44,)| Show InChI InChI=1S/C12H19NO9/c14-6-3-12(22,4-7(15)9(6)18)11(21)13-5(10(19)20)1-2-8(16)17/h5-7,9,14-15,18,22H,1-4H2,(H,13,21)(H,16,17)(H,19,20)/t5-,6+,7+,9-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+7	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of HL-60 cell adhesion to recombinant human Selectin P				Bioorg Med Chem Lett 15: 3224-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.004 BindingDB Entry DOI: 10.7270/Q23N22WB
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50168305 (4-[((3R,5R)-1,3,4,5-Tetrahydroxy-cyclohexanecarbon...) Show SMILES O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(=O)NCCCC(O)=O |wU:3.3,8.9,6.6,wD:3.10,1.0,(-1.18,-2.07,;.15,-1.28,;.15,.26,;1.47,1.02,;2.81,1.79,;2.81,.26,;2.81,-1.28,;4.14,-2.07,;1.47,-2.05,;1.47,-3.58,;.15,1.79,;.15,3.32,;-1.18,1.02,;-2.51,1.79,;-3.85,1.02,;-5.17,1.79,;-6.5,1.02,;-7.84,1.79,;-6.5,-.52,)| Show InChI InChI=1S/C11H19NO7/c13-6-4-11(19,5-7(14)9(6)17)10(18)12-3-1-2-8(15)16/h6-7,9,13-14,17,19H,1-5H2,(H,12,18)(H,15,16)/t6-,7-,9-,11+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of HL-60 cell adhesion to recombinant human Selectin P				Bioorg Med Chem Lett 15: 3224-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.004 BindingDB Entry DOI: 10.7270/Q23N22WB
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM50168306 ((S)-2-[((3R,5R)-1,3,4,5-Tetrahydroxy-cyclohexaneca...) Show SMILES O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(=O)N[C@@H](CCC(O)=O)C(O)=O |wU:13.13,3.3,8.9,6.6,wD:3.10,1.0,(2.22,-3.74,;3.55,-2.96,;3.55,-1.41,;4.88,-.64,;6.23,.13,;6.23,-1.41,;6.23,-2.96,;7.57,-3.74,;4.88,-3.73,;4.88,-5.27,;3.55,.13,;3.55,1.67,;2.22,-.64,;.89,.13,;-.44,-.64,;-1.79,.13,;-3.12,-.64,;-4.46,.13,;-3.12,-2.19,;.89,1.67,;-.46,2.44,;2.22,2.44,)| Show InChI InChI=1S/C12H19NO9/c14-6-3-12(22,4-7(15)9(6)18)11(21)13-5(10(19)20)1-2-8(16)17/h5-7,9,14-15,18,22H,1-4H2,(H,13,21)(H,16,17)(H,19,20)/t5-,6+,7+,9-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of HL-60 cell adhesion to recombinant human Selectin E				Bioorg Med Chem Lett 15: 3224-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.004 BindingDB Entry DOI: 10.7270/Q23N22WB
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50168308 (((3R,5R)-1,3,4,5-Tetrahydroxy-cyclohexanecarbonyl)...) Show SMILES O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(=O)NCC(O)=O |wU:3.3,8.9,6.6,wD:3.10,1.0,(7.16,-4.84,;8.52,-4.05,;8.52,-2.5,;9.85,-1.73,;11.18,-.96,;11.18,-2.5,;11.18,-4.05,;12.54,-4.84,;9.85,-4.82,;9.85,-6.36,;8.5,-.96,;8.5,.6,;7.16,-1.73,;5.83,-.96,;4.5,-1.71,;3.16,-.94,;4.5,-3.26,)| Show InChI InChI=1S/C9H15NO7/c11-4-1-9(17,2-5(12)7(4)15)8(16)10-3-6(13)14/h4-5,7,11-12,15,17H,1-3H2,(H,10,16)(H,13,14)/t4-,5-,7-,9+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of HL-60 cell adhesion to recombinant human Selectin P				Bioorg Med Chem Lett 15: 3224-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.004 BindingDB Entry DOI: 10.7270/Q23N22WB
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50168304 (2-[((3R,5R)-1,3,5-Trihydroxy-4-(S)-hydroxy-cyclohe...) Show SMILES C[C@H](NC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@H](O)C1)C(O)=O |wU:5.5,10.10,12.12,wD:5.4,8.8,1.0,(-2.28,2.47,;-2.28,.93,;-.94,.16,;.4,.93,;.4,2.47,;1.74,.16,;3.07,.93,;.41,-.62,;.41,-2.17,;-.95,-2.95,;1.74,-2.95,;1.74,-4.49,;3.07,-2.17,;4.43,-2.95,;3.07,-.62,;-3.62,.16,;-4.95,.93,;-3.62,-1.4,)| Show InChI InChI=1S/C10H17NO7/c1-4(8(15)16)11-9(17)10(18)2-5(12)7(14)6(13)3-10/h4-7,12-14,18H,2-3H2,1H3,(H,11,17)(H,15,16)/t4-,5+,6+,7-,10+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of HL-60 cell adhesion to recombinant human Selectin P				Bioorg Med Chem Lett 15: 3224-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.004 BindingDB Entry DOI: 10.7270/Q23N22WB
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM50168309 (6-[((R)-(R)-1,3,4,5-Tetrahydroxy-cyclohexanecarbon...) Show SMILES O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(=O)NCCCCCC(O)=O |wU:3.3,8.9,6.6,wD:3.10,1.0,(4.45,-3.24,;5.8,-2.45,;5.8,-.91,;7.12,-.14,;8.46,.63,;8.46,-.91,;8.46,-2.45,;9.8,-3.24,;7.12,-3.22,;7.12,-4.76,;5.78,.63,;5.78,2.16,;4.45,-.14,;3.13,.63,;1.79,-.14,;.45,.63,;-.88,-.14,;-2.2,.63,;-3.53,-.14,;-4.87,.63,;-3.53,-1.68,)| Show InChI InChI=1S/C13H23NO7/c15-8-6-13(21,7-9(16)11(8)19)12(20)14-5-3-1-2-4-10(17)18/h8-9,11,15-16,19,21H,1-7H2,(H,14,20)(H,17,18)/t8-,9-,11-,13+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of HL-60 cell adhesion to recombinant human Selectin E				Bioorg Med Chem Lett 15: 3224-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.004 BindingDB Entry DOI: 10.7270/Q23N22WB
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM50168308 (((3R,5R)-1,3,4,5-Tetrahydroxy-cyclohexanecarbonyl)...) Show SMILES O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(=O)NCC(O)=O |wU:3.3,8.9,6.6,wD:3.10,1.0,(7.16,-4.84,;8.52,-4.05,;8.52,-2.5,;9.85,-1.73,;11.18,-.96,;11.18,-2.5,;11.18,-4.05,;12.54,-4.84,;9.85,-4.82,;9.85,-6.36,;8.5,-.96,;8.5,.6,;7.16,-1.73,;5.83,-.96,;4.5,-1.71,;3.16,-.94,;4.5,-3.26,)| Show InChI InChI=1S/C9H15NO7/c11-4-1-9(17,2-5(12)7(4)15)8(16)10-3-6(13)14/h4-5,7,11-12,15,17H,1-3H2,(H,10,16)(H,13,14)/t4-,5-,7-,9+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of HL-60 cell adhesion to recombinant human Selectin E				Bioorg Med Chem Lett 15: 3224-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.004 BindingDB Entry DOI: 10.7270/Q23N22WB
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50168309 (6-[((R)-(R)-1,3,4,5-Tetrahydroxy-cyclohexanecarbon...) Show SMILES O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(=O)NCCCCCC(O)=O |wU:3.3,8.9,6.6,wD:3.10,1.0,(4.45,-3.24,;5.8,-2.45,;5.8,-.91,;7.12,-.14,;8.46,.63,;8.46,-.91,;8.46,-2.45,;9.8,-3.24,;7.12,-3.22,;7.12,-4.76,;5.78,.63,;5.78,2.16,;4.45,-.14,;3.13,.63,;1.79,-.14,;.45,.63,;-.88,-.14,;-2.2,.63,;-3.53,-.14,;-4.87,.63,;-3.53,-1.68,)| Show InChI InChI=1S/C13H23NO7/c15-8-6-13(21,7-9(16)11(8)19)12(20)14-5-3-1-2-4-10(17)18/h8-9,11,15-16,19,21H,1-7H2,(H,14,20)(H,17,18)/t8-,9-,11-,13+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of HL-60 cell adhesion to recombinant human Selectin P				Bioorg Med Chem Lett 15: 3224-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.004 BindingDB Entry DOI: 10.7270/Q23N22WB
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM50168307 (3-Methyl-2-[((3R,5R)-1,3,5-trihydroxy-4-(S)-hydrox...) Show SMILES CCC(C)[C@H](NC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@H](O)C1)C(O)=O |wU:8.8,13.13,15.15,wD:8.7,4.4,11.11,(-2.14,2.27,;-.81,3.04,;.52,2.27,;1.85,3.04,;.52,.74,;1.85,-.03,;3.17,.74,;3.17,2.27,;4.52,-.03,;5.85,.74,;3.19,-.8,;3.19,-2.35,;1.85,-3.13,;4.52,-3.12,;4.52,-4.66,;5.85,-2.35,;7.19,-3.13,;5.85,-.8,;-.81,-.03,;-2.14,.74,;-.81,-1.58,)| Show InChI InChI=1S/C13H23NO7/c1-3-6(2)9(11(18)19)14-12(20)13(21)4-7(15)10(17)8(16)5-13/h6-10,15-17,21H,3-5H2,1-2H3,(H,14,20)(H,18,19)/t6?,7-,8-,9+,10-,13+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of HL-60 cell adhesion to recombinant human Selectin E				Bioorg Med Chem Lett 15: 3224-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.004 BindingDB Entry DOI: 10.7270/Q23N22WB
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM50168305 (4-[((3R,5R)-1,3,4,5-Tetrahydroxy-cyclohexanecarbon...) Show SMILES O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(=O)NCCCC(O)=O |wU:3.3,8.9,6.6,wD:3.10,1.0,(-1.18,-2.07,;.15,-1.28,;.15,.26,;1.47,1.02,;2.81,1.79,;2.81,.26,;2.81,-1.28,;4.14,-2.07,;1.47,-2.05,;1.47,-3.58,;.15,1.79,;.15,3.32,;-1.18,1.02,;-2.51,1.79,;-3.85,1.02,;-5.17,1.79,;-6.5,1.02,;-7.84,1.79,;-6.5,-.52,)| Show InChI InChI=1S/C11H19NO7/c13-6-4-11(19,5-7(14)9(6)17)10(18)12-3-1-2-8(15)16/h6-7,9,13-14,17,19H,1-5H2,(H,12,18)(H,15,16)/t6-,7-,9-,11+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of HL-60 cell adhesion to recombinant human Selectin E				Bioorg Med Chem Lett 15: 3224-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.004 BindingDB Entry DOI: 10.7270/Q23N22WB
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM50168303 (3-Hydroxy-2-[((3R,5R)-1,3,5-trihydroxy-4-(S)-hydro...) Show SMILES OC[C@H](NC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@H](O)C1)C(O)=O |wU:6.6,11.11,13.13,wD:6.5,2.2,9.9,(1.73,1.74,;.4,.97,;.4,-.57,;1.73,-1.34,;3.06,-.57,;3.06,.97,;4.39,-1.34,;5.74,-.57,;3.06,-2.11,;3.06,-3.66,;1.73,-4.44,;4.39,-4.43,;4.39,-5.97,;5.74,-3.66,;7.08,-4.44,;5.74,-2.11,;-.93,-1.34,;-2.28,-.57,;-.93,-2.89,)| Show InChI InChI=1S/C10H17NO8/c12-3-4(8(16)17)11-9(18)10(19)1-5(13)7(15)6(14)2-10/h4-7,12-15,19H,1-3H2,(H,11,18)(H,16,17)/t4-,5+,6+,7-,10+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of HL-60 cell adhesion to recombinant human Selectin E				Bioorg Med Chem Lett 15: 3224-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.004 BindingDB Entry DOI: 10.7270/Q23N22WB
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM50168304 (2-[((3R,5R)-1,3,5-Trihydroxy-4-(S)-hydroxy-cyclohe...) Show SMILES C[C@H](NC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@H](O)C1)C(O)=O |wU:5.5,10.10,12.12,wD:5.4,8.8,1.0,(-2.28,2.47,;-2.28,.93,;-.94,.16,;.4,.93,;.4,2.47,;1.74,.16,;3.07,.93,;.41,-.62,;.41,-2.17,;-.95,-2.95,;1.74,-2.95,;1.74,-4.49,;3.07,-2.17,;4.43,-2.95,;3.07,-.62,;-3.62,.16,;-4.95,.93,;-3.62,-1.4,)| Show InChI InChI=1S/C10H17NO7/c1-4(8(15)16)11-9(17)10(18)2-5(12)7(14)6(13)3-10/h4-7,12-14,18H,2-3H2,1H3,(H,11,17)(H,15,16)/t4-,5+,6+,7-,10+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of HL-60 cell adhesion to recombinant human Selectin E				Bioorg Med Chem Lett 15: 3224-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.004 BindingDB Entry DOI: 10.7270/Q23N22WB
					More data for this Ligand-Target Pair