Found 113 hits with Last Name = 'busemann' and Initial = 'as' 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 |
P-selectin
(Homo sapiens (Human)) | BDBM50205383
((5-{4-[(2',3',4'-trihydroxy-biphenyl-3-carbonyl)-a...)Show SMILES OC(=O)Cc1ccc(s1)-c1ccc(NC(=O)c2cccc(c2)-c2ccc(O)c(O)c2O)cc1 Show InChI InChI=1S/C25H19NO6S/c27-20-10-9-19(23(30)24(20)31)15-2-1-3-16(12-15)25(32)26-17-6-4-14(5-7-17)21-11-8-18(33-21)13-22(28)29/h1-12,27,30-31H,13H2,(H,26,32)(H,28,29) | 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 | 570 | n/a | n/a | n/a | n/a | n/a | n/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 | |
P-selectin
(Homo sapiens (Human)) | BDBM50205368
((5-{3-[(2',3',4'-trihydroxy-biphenyl-3-carbonyl)-a...)Show SMILES OC(=O)Cc1ccc(s1)-c1cccc(NC(=O)c2cccc(c2)-c2ccc(O)c(O)c2O)c1 Show InChI InChI=1S/C25H19NO6S/c27-20-9-8-19(23(30)24(20)31)14-3-1-5-16(11-14)25(32)26-17-6-2-4-15(12-17)21-10-7-18(33-21)13-22(28)29/h1-12,27,30-31H,13H2,(H,26,32)(H,28,29) | 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 | 740 | n/a | n/a | n/a | n/a | n/a | n/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 | |
L-selectin
(Homo sapiens (Human)) | BDBM50205383
((5-{4-[(2',3',4'-trihydroxy-biphenyl-3-carbonyl)-a...)Show SMILES OC(=O)Cc1ccc(s1)-c1ccc(NC(=O)c2cccc(c2)-c2ccc(O)c(O)c2O)cc1 Show InChI InChI=1S/C25H19NO6S/c27-20-10-9-19(23(30)24(20)31)15-2-1-3-16(12-15)25(32)26-17-6-4-14(5-7-17)21-11-8-18(33-21)13-22(28)29/h1-12,27,30-31H,13H2,(H,26,32)(H,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 790 | n/a | n/a | n/a | n/a | n/a | n/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 | |
E-selectin
(Homo sapiens (Human)) | BDBM50205396
(3-[2-(3,4,5-trihydroxy-phenyl)-acetylamino]-benzoi...)Show InChI InChI=1S/C15H13NO6/c17-11-4-8(5-12(18)14(11)20)6-13(19)16-10-3-1-2-9(7-10)15(21)22/h1-5,7,17-18,20H,6H2,(H,16,19)(H,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/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 | |
P-selectin
(Homo sapiens (Human)) | BDBM50205377
(CHEMBL220254 | {2'-[(3,4,5-trihydroxybenzoyl)oxy]-...)Show SMILES OC(=O)Cc1cccc(c1)-c1ccccc1OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C21H16O7/c22-16-10-14(11-17(23)20(16)26)21(27)28-18-7-2-1-6-15(18)13-5-3-4-12(8-13)9-19(24)25/h1-8,10-11,22-23,26H,9H2,(H,24,25) | 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 | 870 | n/a | n/a | n/a | n/a | n/a | n/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 | |
E-selectin
(Homo sapiens (Human)) | BDBM50205385
(CHEMBL220255 | {3-[2-(3,4,5-trihydroxy-phenyl)-ace...)Show InChI InChI=1S/C16H15NO6/c18-12-5-10(6-13(19)16(12)23)7-14(20)17-11-3-1-2-9(4-11)8-15(21)22/h1-6,18-19,23H,7-8H2,(H,17,20)(H,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
P-selectin
(Homo sapiens (Human)) | BDBM50205394
((5-{2-[(2',3',4'-trihydroxy-biphenyl-4-carbonyl)-a...)Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)c1ccc(cc1)-c1ccc(O)c(O)c1O Show InChI InChI=1S/C25H19NO6S/c27-20-11-10-17(23(30)24(20)31)14-5-7-15(8-6-14)25(32)26-19-4-2-1-3-18(19)21-12-9-16(33-21)13-22(28)29/h1-12,27,30-31H,13H2,(H,26,32)(H,28,29) | 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+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
P-selectin
(Homo sapiens (Human)) | BDBM50205396
(3-[2-(3,4,5-trihydroxy-phenyl)-acetylamino]-benzoi...)Show InChI InChI=1S/C15H13NO6/c17-11-4-8(5-12(18)14(11)20)6-13(19)16-10-3-1-2-9(7-10)15(21)22/h1-5,7,17-18,20H,6H2,(H,16,19)(H,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
L-selectin
(Homo sapiens (Human)) | BDBM50205368
((5-{3-[(2',3',4'-trihydroxy-biphenyl-3-carbonyl)-a...)Show SMILES OC(=O)Cc1ccc(s1)-c1cccc(NC(=O)c2cccc(c2)-c2ccc(O)c(O)c2O)c1 Show InChI InChI=1S/C25H19NO6S/c27-20-9-8-19(23(30)24(20)31)14-3-1-5-16(11-14)25(32)26-17-6-2-4-15(12-17)21-10-7-18(33-21)13-22(28)29/h1-12,27,30-31H,13H2,(H,26,32)(H,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50205403
(5-{2-[(2'3',4'-hydroxy-biphenyl-3-carbonyl)-amino]...)Show SMILES OC(=O)c1ccc(s1)-c1ccccc1NC(=O)c1cccc(c1)-c1ccc(O)c(O)c1O Show InChI InChI=1S/C24H17NO6S/c26-18-9-8-15(21(27)22(18)28)13-4-3-5-14(12-13)23(29)25-17-7-2-1-6-16(17)19-10-11-20(32-19)24(30)31/h1-12,26-28H,(H,25,29)(H,30,31) | 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 | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
E-selectin
(Homo sapiens (Human)) | BDBM50205371
(4-methyl-3-[3-(3,4,5-trihydroxy-phenyl)-propionyla...)Show InChI InChI=1S/C17H17NO6/c1-9-2-4-11(17(23)24)8-12(9)18-15(21)5-3-10-6-13(19)16(22)14(20)7-10/h2,4,6-8,19-20,22H,3,5H2,1H3,(H,18,21)(H,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
L-selectin
(Homo sapiens (Human)) | BDBM50205396
(3-[2-(3,4,5-trihydroxy-phenyl)-acetylamino]-benzoi...)Show InChI InChI=1S/C15H13NO6/c17-11-4-8(5-12(18)14(11)20)6-13(19)16-10-3-1-2-9(7-10)15(21)22/h1-5,7,17-18,20H,6H2,(H,16,19)(H,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
L-selectin
(Homo sapiens (Human)) | BDBM50205377
(CHEMBL220254 | {2'-[(3,4,5-trihydroxybenzoyl)oxy]-...)Show SMILES OC(=O)Cc1cccc(c1)-c1ccccc1OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C21H16O7/c22-16-10-14(11-17(23)20(16)26)21(27)28-18-7-2-1-6-15(18)13-5-3-4-12(8-13)9-19(24)25/h1-8,10-11,22-23,26H,9H2,(H,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
L-selectin
(Homo sapiens (Human)) | BDBM50205394
((5-{2-[(2',3',4'-trihydroxy-biphenyl-4-carbonyl)-a...)Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)c1ccc(cc1)-c1ccc(O)c(O)c1O Show InChI InChI=1S/C25H19NO6S/c27-20-11-10-17(23(30)24(20)31)14-5-7-15(8-6-14)25(32)26-19-4-2-1-3-18(19)21-12-9-16(33-21)13-22(28)29/h1-12,27,30-31H,13H2,(H,26,32)(H,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
L-selectin
(Homo sapiens (Human)) | BDBM50205403
(5-{2-[(2'3',4'-hydroxy-biphenyl-3-carbonyl)-amino]...)Show SMILES OC(=O)c1ccc(s1)-c1ccccc1NC(=O)c1cccc(c1)-c1ccc(O)c(O)c1O Show InChI InChI=1S/C24H17NO6S/c26-18-9-8-15(21(27)22(18)28)13-4-3-5-14(12-13)23(29)25-17-7-2-1-6-16(17)19-10-11-20(32-19)24(30)31/h1-12,26-28H,(H,25,29)(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50205385
(CHEMBL220255 | {3-[2-(3,4,5-trihydroxy-phenyl)-ace...)Show InChI InChI=1S/C16H15NO6/c18-12-5-10(6-13(19)16(12)23)7-14(20)17-11-3-1-2-9(4-11)8-15(21)22/h1-6,18-19,23H,7-8H2,(H,17,20)(H,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
L-selectin
(Homo sapiens (Human)) | BDBM50205375
(CHEMBL220419 | {3-[3-(3,4,5-trihydroxy-phenyl)-pro...)Show InChI InChI=1S/C17H17NO6/c19-13-7-11(8-14(20)17(13)24)4-5-15(21)18-12-3-1-2-10(6-12)9-16(22)23/h1-3,6-8,19-20,24H,4-5,9H2,(H,18,21)(H,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50205375
(CHEMBL220419 | {3-[3-(3,4,5-trihydroxy-phenyl)-pro...)Show InChI InChI=1S/C17H17NO6/c19-13-7-11(8-14(20)17(13)24)4-5-15(21)18-12-3-1-2-10(6-12)9-16(22)23/h1-3,6-8,19-20,24H,4-5,9H2,(H,18,21)(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
E-selectin
(Homo sapiens (Human)) | BDBM50205375
(CHEMBL220419 | {3-[3-(3,4,5-trihydroxy-phenyl)-pro...)Show InChI InChI=1S/C17H17NO6/c19-13-7-11(8-14(20)17(13)24)4-5-15(21)18-12-3-1-2-10(6-12)9-16(22)23/h1-3,6-8,19-20,24H,4-5,9H2,(H,18,21)(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
P-selectin
(Homo sapiens (Human)) | BDBM50205384
((5-{2-[2-(3,4,5-trihydroxy-phenyl)-acetylamino]-ph...)Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)Cc1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C20H17NO6S/c22-15-7-11(8-16(23)20(15)27)9-18(24)21-14-4-2-1-3-13(14)17-6-5-12(28-17)10-19(25)26/h1-8,22-23,27H,9-10H2,(H,21,24)(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
P-selectin
(Homo sapiens (Human)) | BDBM50205370
(4-{[2-(3,4,5-trihydroxy-phenyl)-acetylamino]-methy...)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)Cc1cc(O)c(O)c(O)c1 |wU:3.2,wD:6.9,(3.02,-25.63,;3.03,-24.09,;4.37,-23.33,;1.7,-23.32,;.36,-24.08,;-.97,-23.31,;-.97,-21.77,;.37,-21,;1.7,-21.78,;-2.3,-21.01,;-3.63,-21.78,;-3.63,-23.32,;-4.97,-21.01,;-6.3,-21.78,;-6.29,-23.3,;-7.62,-24.08,;-7.61,-25.62,;-8.96,-23.31,;-10.29,-24.08,;-8.96,-21.77,;-10.29,-21,;-7.63,-21,)| Show InChI InChI=1S/C15H19NO6/c17-11-5-8(6-12(18)14(11)20)7-13(19)16-10-3-1-9(2-4-10)15(21)22/h5-6,9-10,17-18,20H,1-4,7H2,(H,16,19)(H,21,22)/t9-,10- | 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 | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
P-selectin
(Homo sapiens (Human)) | BDBM50205371
(4-methyl-3-[3-(3,4,5-trihydroxy-phenyl)-propionyla...)Show InChI InChI=1S/C17H17NO6/c1-9-2-4-11(17(23)24)8-12(9)18-15(21)5-3-10-6-13(19)16(22)14(20)7-10/h2,4,6-8,19-20,22H,3,5H2,1H3,(H,18,21)(H,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
E-selectin
(Homo sapiens (Human)) | BDBM50205370
(4-{[2-(3,4,5-trihydroxy-phenyl)-acetylamino]-methy...)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)Cc1cc(O)c(O)c(O)c1 |wU:3.2,wD:6.9,(3.02,-25.63,;3.03,-24.09,;4.37,-23.33,;1.7,-23.32,;.36,-24.08,;-.97,-23.31,;-.97,-21.77,;.37,-21,;1.7,-21.78,;-2.3,-21.01,;-3.63,-21.78,;-3.63,-23.32,;-4.97,-21.01,;-6.3,-21.78,;-6.29,-23.3,;-7.62,-24.08,;-7.61,-25.62,;-8.96,-23.31,;-10.29,-24.08,;-8.96,-21.77,;-10.29,-21,;-7.63,-21,)| Show InChI InChI=1S/C15H19NO6/c17-11-5-8(6-12(18)14(11)20)7-13(19)16-10-3-1-9(2-4-10)15(21)22/h5-6,9-10,17-18,20H,1-4,7H2,(H,16,19)(H,21,22)/t9-,10- | 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 | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
L-selectin
(Homo sapiens (Human)) | BDBM50205384
((5-{2-[2-(3,4,5-trihydroxy-phenyl)-acetylamino]-ph...)Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)Cc1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C20H17NO6S/c22-15-7-11(8-16(23)20(15)27)9-18(24)21-14-4-2-1-3-13(14)17-6-5-12(28-17)10-19(25)26/h1-8,22-23,27H,9-10H2,(H,21,24)(H,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
E-selectin
(Homo sapiens (Human)) | BDBM50205401
(4-{[3-(3,4,5-trihydroxy-phenyl)-propionylamino]-me...)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)CCc1cc(O)c(O)c(O)c1 |wU:3.2,wD:6.9,(23.8,-27.36,;23.8,-25.82,;25.14,-25.06,;22.47,-25.04,;21.13,-25.81,;19.81,-25.04,;19.81,-23.5,;21.14,-22.72,;22.47,-23.5,;18.47,-22.73,;17.14,-23.5,;17.14,-25.04,;15.81,-22.73,;14.47,-23.5,;13.14,-22.73,;11.84,-23.55,;10.49,-22.82,;9.18,-23.62,;10.45,-21.27,;9.1,-20.53,;11.77,-20.47,;11.73,-18.93,;13.12,-21.2,)| Show InChI InChI=1S/C16H21NO6/c18-12-7-9(8-13(19)15(12)21)1-6-14(20)17-11-4-2-10(3-5-11)16(22)23/h7-8,10-11,18-19,21H,1-6H2,(H,17,20)(H,22,23)/t10-,11- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
L-selectin
(Homo sapiens (Human)) | BDBM50205370
(4-{[2-(3,4,5-trihydroxy-phenyl)-acetylamino]-methy...)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)Cc1cc(O)c(O)c(O)c1 |wU:3.2,wD:6.9,(3.02,-25.63,;3.03,-24.09,;4.37,-23.33,;1.7,-23.32,;.36,-24.08,;-.97,-23.31,;-.97,-21.77,;.37,-21,;1.7,-21.78,;-2.3,-21.01,;-3.63,-21.78,;-3.63,-23.32,;-4.97,-21.01,;-6.3,-21.78,;-6.29,-23.3,;-7.62,-24.08,;-7.61,-25.62,;-8.96,-23.31,;-10.29,-24.08,;-8.96,-21.77,;-10.29,-21,;-7.63,-21,)| Show InChI InChI=1S/C15H19NO6/c17-11-5-8(6-12(18)14(11)20)7-13(19)16-10-3-1-9(2-4-10)15(21)22/h5-6,9-10,17-18,20H,1-4,7H2,(H,16,19)(H,21,22)/t9-,10- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
E-selectin
(Homo sapiens (Human)) | BDBM50205384
((5-{2-[2-(3,4,5-trihydroxy-phenyl)-acetylamino]-ph...)Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)Cc1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C20H17NO6S/c22-15-7-11(8-16(23)20(15)27)9-18(24)21-14-4-2-1-3-13(14)17-6-5-12(28-17)10-19(25)26/h1-8,22-23,27H,9-10H2,(H,21,24)(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
P-selectin
(Homo sapiens (Human)) | BDBM50205374
((5-{2-[3-(2,3,4-trihydroxy-phenyl)-acryloylamino]-...)Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)\C=C\c1ccc(O)c(O)c1O Show InChI InChI=1S/C21H17NO6S/c23-16-8-5-12(20(27)21(16)28)6-10-18(24)22-15-4-2-1-3-14(15)17-9-7-13(29-17)11-19(25)26/h1-10,23,27-28H,11H2,(H,22,24)(H,25,26)/b10-6+ | 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 | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
P-selectin
(Homo sapiens (Human)) | BDBM50205401
(4-{[3-(3,4,5-trihydroxy-phenyl)-propionylamino]-me...)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)CCc1cc(O)c(O)c(O)c1 |wU:3.2,wD:6.9,(23.8,-27.36,;23.8,-25.82,;25.14,-25.06,;22.47,-25.04,;21.13,-25.81,;19.81,-25.04,;19.81,-23.5,;21.14,-22.72,;22.47,-23.5,;18.47,-22.73,;17.14,-23.5,;17.14,-25.04,;15.81,-22.73,;14.47,-23.5,;13.14,-22.73,;11.84,-23.55,;10.49,-22.82,;9.18,-23.62,;10.45,-21.27,;9.1,-20.53,;11.77,-20.47,;11.73,-18.93,;13.12,-21.2,)| Show InChI InChI=1S/C16H21NO6/c18-12-7-9(8-13(19)15(12)21)1-6-14(20)17-11-4-2-10(3-5-11)16(22)23/h7-8,10-11,18-19,21H,1-6H2,(H,17,20)(H,22,23)/t10-,11- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
P-selectin
(Homo sapiens (Human)) | BDBM50205392
((5-{2-[2-(2',3',4'-trihydroxy-biphenyl-3-yl)-acety...)Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)Cc1cccc(c1)-c1ccc(O)c(O)c1O Show InChI InChI=1S/C26H21NO6S/c28-21-10-9-18(25(32)26(21)33)16-5-3-4-15(12-16)13-23(29)27-20-7-2-1-6-19(20)22-11-8-17(34-22)14-24(30)31/h1-12,28,32-33H,13-14H2,(H,27,29)(H,30,31) | 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 | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
L-selectin
(Homo sapiens (Human)) | BDBM50205371
(4-methyl-3-[3-(3,4,5-trihydroxy-phenyl)-propionyla...)Show InChI InChI=1S/C17H17NO6/c1-9-2-4-11(17(23)24)8-12(9)18-15(21)5-3-10-6-13(19)16(22)14(20)7-10/h2,4,6-8,19-20,22H,3,5H2,1H3,(H,18,21)(H,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50205376
((2'-{[(3,4,5-trihydroxyphenyl)acetyl]amino}-1,1'-b...)Show SMILES OC(=O)Cc1cccc(c1)-c1ccccc1NC(=O)Cc1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C22H19NO6/c24-18-9-14(10-19(25)22(18)29)11-20(26)23-17-7-2-1-6-16(17)15-5-3-4-13(8-15)12-21(27)28/h1-10,24-25,29H,11-12H2,(H,23,26)(H,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
L-selectin
(Homo sapiens (Human)) | BDBM50205374
((5-{2-[3-(2,3,4-trihydroxy-phenyl)-acryloylamino]-...)Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)\C=C\c1ccc(O)c(O)c1O Show InChI InChI=1S/C21H17NO6S/c23-16-8-5-12(20(27)21(16)28)6-10-18(24)22-15-4-2-1-3-14(15)17-9-7-13(29-17)11-19(25)26/h1-10,23,27-28H,11H2,(H,22,24)(H,25,26)/b10-6+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
E-selectin
(Homo sapiens (Human)) | BDBM50205376
((2'-{[(3,4,5-trihydroxyphenyl)acetyl]amino}-1,1'-b...)Show SMILES OC(=O)Cc1cccc(c1)-c1ccccc1NC(=O)Cc1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C22H19NO6/c24-18-9-14(10-19(25)22(18)29)11-20(26)23-17-7-2-1-6-16(17)15-5-3-4-13(8-15)12-21(27)28/h1-10,24-25,29H,11-12H2,(H,23,26)(H,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
L-selectin
(Homo sapiens (Human)) | BDBM50205401
(4-{[3-(3,4,5-trihydroxy-phenyl)-propionylamino]-me...)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)CCc1cc(O)c(O)c(O)c1 |wU:3.2,wD:6.9,(23.8,-27.36,;23.8,-25.82,;25.14,-25.06,;22.47,-25.04,;21.13,-25.81,;19.81,-25.04,;19.81,-23.5,;21.14,-22.72,;22.47,-23.5,;18.47,-22.73,;17.14,-23.5,;17.14,-25.04,;15.81,-22.73,;14.47,-23.5,;13.14,-22.73,;11.84,-23.55,;10.49,-22.82,;9.18,-23.62,;10.45,-21.27,;9.1,-20.53,;11.77,-20.47,;11.73,-18.93,;13.12,-21.2,)| Show InChI InChI=1S/C16H21NO6/c18-12-7-9(8-13(19)15(12)21)1-6-14(20)17-11-4-2-10(3-5-11)16(22)23/h7-8,10-11,18-19,21H,1-6H2,(H,17,20)(H,22,23)/t10-,11- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50205389
((5-{2-[(2',3',4'-trihydroxy-biphenyl-3-carbonyl)-a...)Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)c1cccc(c1)-c1ccc(O)c(O)c1O Show InChI InChI=1S/C25H19NO6S/c27-20-10-9-17(23(30)24(20)31)14-4-3-5-15(12-14)25(32)26-19-7-2-1-6-18(19)21-11-8-16(33-21)13-22(28)29/h1-12,27,30-31H,13H2,(H,26,32)(H,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
P-selectin
(Homo sapiens (Human)) | BDBM50205404
((5-{2-[2-(2,3,4-trihydroxy-phenyl)-acetylamino]-ph...)Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)Cc1ccc(O)c(O)c1O Show InChI InChI=1S/C20H17NO6S/c22-15-7-5-11(19(26)20(15)27)9-17(23)21-14-4-2-1-3-13(14)16-8-6-12(28-16)10-18(24)25/h1-8,22,26-27H,9-10H2,(H,21,23)(H,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
E-selectin
(Homo sapiens (Human)) | BDBM50205393
(4-{[3-(3,4,5-trihydroxy-phenyl)-propionylamino]-me...)Show InChI InChI=1S/C17H17NO6/c19-13-7-11(8-14(20)16(13)22)3-6-15(21)18-9-10-1-4-12(5-2-10)17(23)24/h1-2,4-5,7-8,19-20,22H,3,6,9H2,(H,18,21)(H,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
E-selectin
(Homo sapiens (Human)) | BDBM50205400
(2-methyl-3-[3-(3,4,5-trihydroxy-phenyl)-propionyla...)Show InChI InChI=1S/C17H17NO6/c1-9-11(17(23)24)3-2-4-12(9)18-15(21)6-5-10-7-13(19)16(22)14(20)8-10/h2-4,7-8,19-20,22H,5-6H2,1H3,(H,18,21)(H,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
L-selectin
(Homo sapiens (Human)) | BDBM50205376
((2'-{[(3,4,5-trihydroxyphenyl)acetyl]amino}-1,1'-b...)Show SMILES OC(=O)Cc1cccc(c1)-c1ccccc1NC(=O)Cc1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C22H19NO6/c24-18-9-14(10-19(25)22(18)29)11-20(26)23-17-7-2-1-6-16(17)15-5-3-4-13(8-15)12-21(27)28/h1-10,24-25,29H,11-12H2,(H,23,26)(H,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
E-selectin
(Homo sapiens (Human)) | BDBM50205373
(4-{[2-(3,4,5-trihydroxy-phenyl)-acetylamino]-methy...)Show InChI InChI=1S/C16H15NO6/c18-12-5-10(6-13(19)15(12)21)7-14(20)17-8-9-1-3-11(4-2-9)16(22)23/h1-6,18-19,21H,7-8H2,(H,17,20)(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
L-selectin
(Homo sapiens (Human)) | BDBM50205392
((5-{2-[2-(2',3',4'-trihydroxy-biphenyl-3-yl)-acety...)Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)Cc1cccc(c1)-c1ccc(O)c(O)c1O Show InChI InChI=1S/C26H21NO6S/c28-21-10-9-18(25(32)26(21)33)16-5-3-4-15(12-16)13-23(29)27-20-7-2-1-6-19(20)22-11-8-17(34-22)14-24(30)31/h1-12,28,32-33H,13-14H2,(H,27,29)(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.70E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
E-selectin
(Homo sapiens (Human)) | BDBM50205383
((5-{4-[(2',3',4'-trihydroxy-biphenyl-3-carbonyl)-a...)Show SMILES OC(=O)Cc1ccc(s1)-c1ccc(NC(=O)c2cccc(c2)-c2ccc(O)c(O)c2O)cc1 Show InChI InChI=1S/C25H19NO6S/c27-20-10-9-19(23(30)24(20)31)15-2-1-3-16(12-15)25(32)26-17-6-4-14(5-7-17)21-11-8-18(33-21)13-22(28)29/h1-12,27,30-31H,13H2,(H,26,32)(H,28,29) | 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 | 9.70E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
L-selectin
(Homo sapiens (Human)) | BDBM50205389
((5-{2-[(2',3',4'-trihydroxy-biphenyl-3-carbonyl)-a...)Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)c1cccc(c1)-c1ccc(O)c(O)c1O Show InChI InChI=1S/C25H19NO6S/c27-20-10-9-17(23(30)24(20)31)14-4-3-5-15(12-14)25(32)26-19-7-2-1-6-18(19)21-11-8-16(33-21)13-22(28)29/h1-12,27,30-31H,13H2,(H,26,32)(H,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50205395
((5-{2-[3-(3,4,5-trihydroxy-phenyl)-propionylamino]...)Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)CCc1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C21H19NO6S/c23-16-9-12(10-17(24)21(16)28)5-8-19(25)22-15-4-2-1-3-14(15)18-7-6-13(29-18)11-20(26)27/h1-4,6-7,9-10,23-24,28H,5,8,11H2,(H,22,25)(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.02E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
P-selectin
(Homo sapiens (Human)) | BDBM50205386
(2,3,4-trihydroxybenzoic acid | CHEMBL220779)Show InChI InChI=1S/C7H6O5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,8-10H,(H,11,12) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.18E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
L-selectin
(Homo sapiens (Human)) | BDBM50205395
((5-{2-[3-(3,4,5-trihydroxy-phenyl)-propionylamino]...)Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)CCc1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C21H19NO6S/c23-16-9-12(10-17(24)21(16)28)5-8-19(25)22-15-4-2-1-3-14(15)18-7-6-13(29-18)11-20(26)27/h1-4,6-7,9-10,23-24,28H,5,8,11H2,(H,22,25)(H,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.36E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
L-selectin
(Homo sapiens (Human)) | BDBM50205404
((5-{2-[2-(2,3,4-trihydroxy-phenyl)-acetylamino]-ph...)Show SMILES OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)Cc1ccc(O)c(O)c1O Show InChI InChI=1S/C20H17NO6S/c22-15-7-5-11(19(26)20(15)27)9-17(23)21-14-4-2-1-3-13(14)16-8-6-12(28-16)10-18(24)25/h1-8,22,26-27H,9-10H2,(H,21,23)(H,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.46E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50205373
(4-{[2-(3,4,5-trihydroxy-phenyl)-acetylamino]-methy...)Show InChI InChI=1S/C16H15NO6/c18-12-5-10(6-13(19)15(12)21)7-14(20)17-8-9-1-3-11(4-2-9)16(22)23/h1-6,18-19,21H,7-8H2,(H,17,20)(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 1.48E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
L-selectin
(Homo sapiens (Human)) | BDBM50205386
(2,3,4-trihydroxybenzoic acid | CHEMBL220779)Show InChI InChI=1S/C7H6O5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,8-10H,(H,11,12) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.52E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |