Found 12 hits of Enzyme Inhibition Constant Data 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)) | BDBM50288313
(5-{(2S,3R,4S)-2-[(1S,2R)-1-Ethoxycarbonyl-2-((2R,5...)Show SMILES CCOC(=O)[C@@H](NC(=O)[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)CCCC([O-])=O)[C@@H](C)O[C@@H]1O[C@@H](C)[C@@H](O)C(O)C1O Show InChI InChI=1S/C22H36N2O13/c1-4-35-21(34)14(9(2)36-22-19(32)18(31)16(29)10(3)37-22)23-20(33)15-17(30)11(25)8-24(15)12(26)6-5-7-13(27)28/h9-11,14-19,22,25,29-32H,4-8H2,1-3H3,(H,23,33)(H,27,28)/p-1/t9-,10+,11+,14+,15+,16-,17+,18?,19?,22-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against Selectin E |
Bioorg Med Chem Lett 6: 2755-2760 (1996)
Article DOI: 10.1016/S0960-894X(96)00509-4 BindingDB Entry DOI: 10.7270/Q2CV4J8C |
More data for this Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50288317
(5-{(2R,4S)-2-[(1S,2R)-1-Ethoxycarbonyl-2-((2R,5S,6...)Show SMILES CCOC(=O)[C@@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)CCCC([O-])=O)[C@@H](C)O[C@@H]1O[C@@H](C)[C@@H](O)C(O)C1O Show InChI InChI=1S/C22H36N2O12/c1-4-34-21(33)16(10(2)35-22-19(31)18(30)17(29)11(3)36-22)23-20(32)13-8-12(25)9-24(13)14(26)6-5-7-15(27)28/h10-13,16-19,22,25,29-31H,4-9H2,1-3H3,(H,23,32)(H,27,28)/p-1/t10-,11+,12+,13-,16+,17-,18?,19?,22-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against Selectin E |
Bioorg Med Chem Lett 6: 2755-2760 (1996)
Article DOI: 10.1016/S0960-894X(96)00509-4 BindingDB Entry DOI: 10.7270/Q2CV4J8C |
More data for this Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50288318
(5-{(2R,4R)-2-[(1S,2R)-1-Ethoxycarbonyl-2-((2S,5S,6...)Show SMILES CCOC(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCCC([O-])=O)[C@@H](C)O[C@H]1O[C@@H](C)[C@@H](O)C(O)C1O Show InChI InChI=1S/C22H36N2O12/c1-4-34-21(33)16(10(2)35-22-19(31)18(30)17(29)11(3)36-22)23-20(32)13-8-12(25)9-24(13)14(26)6-5-7-15(27)28/h10-13,16-19,22,25,29-31H,4-9H2,1-3H3,(H,23,32)(H,27,28)/p-1/t10-,11+,12-,13+,16+,17-,18?,19?,22+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against Selectin E |
Bioorg Med Chem Lett 6: 2755-2760 (1996)
Article DOI: 10.1016/S0960-894X(96)00509-4 BindingDB Entry DOI: 10.7270/Q2CV4J8C |
More data for this Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50288319
(5-{(2S,4R)-2-[(1S,2R)-1-Ethoxycarbonyl-2-((2R,5S,6...)Show SMILES CCOC(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCCC([O-])=O)[C@@H](C)O[C@@H]1O[C@@H](C)[C@@H](O)C(O)C1O Show InChI InChI=1S/C22H36N2O12/c1-4-34-21(33)16(10(2)35-22-19(31)18(30)17(29)11(3)36-22)23-20(32)13-8-12(25)9-24(13)14(26)6-5-7-15(27)28/h10-13,16-19,22,25,29-31H,4-9H2,1-3H3,(H,23,32)(H,27,28)/p-1/t10-,11+,12-,13+,16+,17-,18?,19?,22-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against Selectin E |
Bioorg Med Chem Lett 6: 2755-2760 (1996)
Article DOI: 10.1016/S0960-894X(96)00509-4 BindingDB Entry DOI: 10.7270/Q2CV4J8C |
More data for this Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50288309
((S)-2-{2-[(2S,3R)-2-{[(2R,4S)-1-(4-Carboxy-butyryl...)Show SMILES CCCCCCCCCCCCCCCCOC(=O)CC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)CCCC(O)=O)[C@@H](C)O[C@@H]1O[C@@H](C)[C@@H](O)C(O)C1O)C(=O)OCCCCCCCCCCCCCCCC Show InChI InChI=1S/C59H106N4O16/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38-76-51(69)37-36-46(58(75)77-39-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)61-48(65)41-60-57(74)52(43(3)78-59-55(72)54(71)53(70)44(4)79-59)62-56(73)47-40-45(64)42-63(47)49(66)34-33-35-50(67)68/h43-47,52-55,59,64,70-72H,5-42H2,1-4H3,(H,60,74)(H,61,65)(H,62,73)(H,67,68)/t43-,44+,45+,46+,47-,52+,53-,54?,55?,59-/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
| n/a | n/a | 5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against Selectin E |
Bioorg Med Chem Lett 6: 2755-2760 (1996)
Article DOI: 10.1016/S0960-894X(96)00509-4 BindingDB Entry DOI: 10.7270/Q2CV4J8C |
More data for this Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50288314
(4-{(1R,2R)-1-[(1S,2R)-1-Ethoxycarbonyl-2-((2R,5S,6...)Show SMILES CCOC(=O)[C@@H](NC(=O)[C@H](NC(=O)CCCC([O-])=O)[C@@H](O)CO)[C@@H](C)O[C@@H]1O[C@@H](C)[C@@H](O)C(O)C1O Show InChI InChI=1S/C21H36N2O13/c1-4-34-20(33)14(9(2)35-21-18(31)17(30)16(29)10(3)36-21)23-19(32)15(11(25)8-24)22-12(26)6-5-7-13(27)28/h9-11,14-18,21,24-25,29-31H,4-8H2,1-3H3,(H,22,26)(H,23,32)(H,27,28)/p-1/t9-,10+,11+,14+,15-,16-,17?,18?,21-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against Selectin E |
Bioorg Med Chem Lett 6: 2755-2760 (1996)
Article DOI: 10.1016/S0960-894X(96)00509-4 BindingDB Entry DOI: 10.7270/Q2CV4J8C |
More data for this Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50288320
((S)-2-[2-(2-{2-[(S)-2-{[(R)-(R)-1-((S)-4-Carboxy-1...)Show SMILES CCCCCCCCCCCCCCCCOC(=O)CC[C@H](NCCOCCOCCNC(=O)[C@@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)CCCC(O)=O)[C@@H](C)O[C@@H]1O[C@@H](C)[C@@H](O)C(O)C1O)C(=O)OCCCCCCCCCCCCCCCC Show InChI InChI=1S/C63H116N4O17/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-40-81-55(72)37-36-51(62(78)82-41-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)64-38-42-79-44-45-80-43-39-65-61(77)56(48(3)83-63-59(75)58(74)57(73)49(4)84-63)66-60(76)52-46-50(68)47-67(52)53(69)34-33-35-54(70)71/h48-52,56-59,63-64,68,73-75H,5-47H2,1-4H3,(H,65,77)(H,66,76)(H,70,71)/t48-,49+,50+,51+,52-,56+,57-,58?,59?,63-/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
| n/a | n/a | 5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against Selectin E |
Bioorg Med Chem Lett 6: 2755-2760 (1996)
Article DOI: 10.1016/S0960-894X(96)00509-4 BindingDB Entry DOI: 10.7270/Q2CV4J8C |
More data for this Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50450369
(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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Ability to inhibit sialyl Lewis X binding to Selectin E was determined |
Bioorg Med Chem Lett 6: 2755-2760 (1996)
Article DOI: 10.1016/S0960-894X(96)00509-4 BindingDB Entry DOI: 10.7270/Q2CV4J8C |
More data for this Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50288316
(4-[(1-{[(2S,3R)-1-ethoxy-1-oxo-3-{[(2R,5S,6S)-3,4,...)Show SMILES CCOC(=O)[C@@H](NC(=O)C(CO)(CO)NC(=O)CCCC([O-])=O)[C@@H](C)O[C@@H]1O[C@@H](C)[C@@H](O)C(O)C1O Show InChI InChI=1S/C21H36N2O13/c1-4-34-18(32)14(10(2)35-19-17(31)16(30)15(29)11(3)36-19)22-20(33)21(8-24,9-25)23-12(26)6-5-7-13(27)28/h10-11,14-17,19,24-25,29-31H,4-9H2,1-3H3,(H,22,33)(H,23,26)(H,27,28)/p-1/t10-,11+,14+,15-,16?,17?,19-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 9.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against Selectin E |
Bioorg Med Chem Lett 6: 2755-2760 (1996)
Article DOI: 10.1016/S0960-894X(96)00509-4 BindingDB Entry DOI: 10.7270/Q2CV4J8C |
More data for this Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50288311
(5-{(2S,4S)-2-[(1S,2R)-1-Ethoxycarbonyl-2-((2R,5S,6...)Show SMILES CCOC(=O)[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)CCCC([O-])=O)[C@@H](C)O[C@@H]1O[C@@H](C)[C@@H](O)C(O)C1O Show InChI InChI=1S/C22H36N2O12/c1-4-34-21(33)16(10(2)35-22-19(31)18(30)17(29)11(3)36-22)23-20(32)13-8-12(25)9-24(13)14(26)6-5-7-15(27)28/h10-13,16-19,22,25,29-31H,4-9H2,1-3H3,(H,23,32)(H,27,28)/p-1/t10-,11+,12+,13+,16+,17-,18?,19?,22-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against Selectin E |
Bioorg Med Chem Lett 6: 2755-2760 (1996)
Article DOI: 10.1016/S0960-894X(96)00509-4 BindingDB Entry DOI: 10.7270/Q2CV4J8C |
More data for this Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50288312
(5-{(2R,4R)-2-[(1S,2R)-1-Ethoxycarbonyl-2-((2R,5S,6...)Show SMILES CCOC(=O)[C@@H](NC(=O)[C@H]1C[C@@H](O)CN1C(=O)CCCC([O-])=O)[C@@H](C)O[C@@H]1O[C@@H](C)[C@@H](O)C(O)C1O Show InChI InChI=1S/C22H36N2O12/c1-4-34-21(33)16(10(2)35-22-19(31)18(30)17(29)11(3)36-22)23-20(32)13-8-12(25)9-24(13)14(26)6-5-7-15(27)28/h10-13,16-19,22,25,29-31H,4-9H2,1-3H3,(H,23,32)(H,27,28)/p-1/t10-,11+,12-,13-,16+,17-,18?,19?,22-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 3.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against Selectin E |
Bioorg Med Chem Lett 6: 2755-2760 (1996)
Article DOI: 10.1016/S0960-894X(96)00509-4 BindingDB Entry DOI: 10.7270/Q2CV4J8C |
More data for this Ligand-Target Pair | |
E-selectin
(Homo sapiens (Human)) | BDBM50288315
(5-{(2S,3R,4S)-3,4-Dihydroxy-2-[(1R,2R)-2-((2R,5S,6...)Show SMILES C[C@@H]1O[C@@H](O[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2[C@@H](O)[C@@H](O)CN2C(=O)CCCC([O-])=O)C(O)C(O)[C@@H]1O Show InChI InChI=1S/C22H36N2O11/c1-10-17(29)19(31)20(32)22(34-10)35-13-6-3-2-5-11(13)23-21(33)16-18(30)12(25)9-24(16)14(26)7-4-8-15(27)28/h10-13,16-20,22,25,29-32H,2-9H2,1H3,(H,23,33)(H,27,28)/p-1/t10-,11+,12-,13+,16-,17+,18-,19?,20?,22-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 5.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against Selectin E |
Bioorg Med Chem Lett 6: 2755-2760 (1996)
Article DOI: 10.1016/S0960-894X(96)00509-4 BindingDB Entry DOI: 10.7270/Q2CV4J8C |
More data for this Ligand-Target Pair | |