Found 19 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 |
|---|
B-cell receptor CD22
(Homo sapiens (Human)) | BDBM50338744
((2R,4S,5R,6R)-2-(biphenyl-4-ylmethoxy)-6-((1R,2R)-...)Show SMILES OCC(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccc(cc2)-c2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)Cc1ccc(cc1)-c1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C38H40N2O11/c41-21-33(46)40-34-30(43)19-38(37(48)49,50-22-24-8-12-26(13-9-24)25-4-2-1-3-5-25)51-36(34)35(47)31(44)20-39-32(45)18-23-6-10-27(11-7-23)28-14-16-29(42)17-15-28/h1-17,30-31,34-36,41-44,47H,18-22H2,(H,39,45)(H,40,46)(H,48,49)/t30-,31+,34+,35+,36+,38+/m0/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu University
Curated by ChEMBL
| Assay Description
Antagonist activity at human CD22 after 1 hr by competitive ELISA |
Bioorg Med Chem 19: 1966-71 (2011)
Article DOI: 10.1016/j.bmc.2011.01.060
BindingDB Entry DOI: 10.7270/Q2QZ2B7T |
More data for this
Ligand-Target Pair | |
B-cell receptor CD22
(Mus musculus) | BDBM50338743
(CHEMBL1684360 | benzyl 3,5,9-trideoxy-5-glycolamid...)Show SMILES OCC(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)Cc1ccc(cc1)-c1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C32H36N2O11/c35-17-27(40)34-28-24(37)15-32(31(42)43,44-18-20-4-2-1-3-5-20)45-30(28)29(41)25(38)16-33-26(39)14-19-6-8-21(9-7-19)22-10-12-23(36)13-11-22/h1-13,24-25,28-30,35-38,41H,14-18H2,(H,33,39)(H,34,40)(H,42,43)/t24-,25+,28+,29+,30+,32+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu University
Curated by ChEMBL
| Assay Description
Antagonist activity at mouse CD22 after 1 hr by competitive ELISA |
Bioorg Med Chem 19: 1966-71 (2011)
Article DOI: 10.1016/j.bmc.2011.01.060
BindingDB Entry DOI: 10.7270/Q2QZ2B7T |
More data for this
Ligand-Target Pair | |
B-cell receptor CD22
(Homo sapiens (Human)) | BDBM50338743
(CHEMBL1684360 | benzyl 3,5,9-trideoxy-5-glycolamid...)Show SMILES OCC(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)Cc1ccc(cc1)-c1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C32H36N2O11/c35-17-27(40)34-28-24(37)15-32(31(42)43,44-18-20-4-2-1-3-5-20)45-30(28)29(41)25(38)16-33-26(39)14-19-6-8-21(9-7-19)22-10-12-23(36)13-11-22/h1-13,24-25,28-30,35-38,41H,14-18H2,(H,33,39)(H,34,40)(H,42,43)/t24-,25+,28+,29+,30+,32+/m0/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu University
Curated by ChEMBL
| Assay Description
Antagonist activity at human CD22 after 1 hr by competitive ELISA |
Bioorg Med Chem 19: 1966-71 (2011)
Article DOI: 10.1016/j.bmc.2011.01.060
BindingDB Entry DOI: 10.7270/Q2QZ2B7T |
More data for this
Ligand-Target Pair | |
B-cell receptor CD22
(Mus musculus) | BDBM50338744
((2R,4S,5R,6R)-2-(biphenyl-4-ylmethoxy)-6-((1R,2R)-...)Show SMILES OCC(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccc(cc2)-c2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)Cc1ccc(cc1)-c1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C38H40N2O11/c41-21-33(46)40-34-30(43)19-38(37(48)49,50-22-24-8-12-26(13-9-24)25-4-2-1-3-5-25)51-36(34)35(47)31(44)20-39-32(45)18-23-6-10-27(11-7-23)28-14-16-29(42)17-15-28/h1-17,30-31,34-36,41-44,47H,18-22H2,(H,39,45)(H,40,46)(H,48,49)/t30-,31+,34+,35+,36+,38+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu University
Curated by ChEMBL
| Assay Description
Antagonist activity at mouse CD22 after 1 hr by competitive ELISA |
Bioorg Med Chem 19: 1966-71 (2011)
Article DOI: 10.1016/j.bmc.2011.01.060
BindingDB Entry DOI: 10.7270/Q2QZ2B7T |
More data for this
Ligand-Target Pair | |
B-cell receptor CD22
(Homo sapiens (Human)) | BDBM50274303
(CHEMBL502862 | p-Methoxyphenyl (3,5,9-trideoxy-5-g...)Show SMILES COc1ccc(O[C@@H]2O[C@H](CO[C@@]3(C[C@H](O)[C@@H](NC(=O)CO)[C@@H](O3)[C@H](O)[C@H](O)CNCc3ccc(cc3)-c3ccc(O)cc3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C37H46N2O16/c1-51-23-10-12-24(13-11-23)53-35-33(48)32(47)31(46)27(54-35)18-52-37(36(49)50)14-25(42)29(39-28(44)17-40)34(55-37)30(45)26(43)16-38-15-19-2-4-20(5-3-19)21-6-8-22(41)9-7-21/h2-13,25-27,29-35,38,40-43,45-48H,14-18H2,1H3,(H,39,44)(H,49,50)/t25-,26+,27+,29+,30+,31-,32-,33+,34+,35+,37+/m0/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu University
Curated by ChEMBL
| Assay Description
Antagonist activity at human CD22 after 1 hr by competitive ELISA |
Bioorg Med Chem 19: 1966-71 (2011)
Article DOI: 10.1016/j.bmc.2011.01.060
BindingDB Entry DOI: 10.7270/Q2QZ2B7T |
More data for this
Ligand-Target Pair | |
B-cell receptor CD22
(Homo sapiens (Human)) | BDBM50338746
(Benzyl 3,5,9-trideoxy-5-glycolamido-9-(4'-hydroxy-...)Show SMILES OCC(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CNCc1ccc(cc1)-c1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C31H36N2O10/c34-17-26(38)33-27-24(36)14-31(30(40)41,42-18-20-4-2-1-3-5-20)43-29(27)28(39)25(37)16-32-15-19-6-8-21(9-7-19)22-10-12-23(35)13-11-22/h1-13,24-25,27-29,32,34-37,39H,14-18H2,(H,33,38)(H,40,41)/t24-,25+,27+,28+,29+,31+/m0/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 820 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu University
Curated by ChEMBL
| Assay Description
Antagonist activity at human CD22 after 1 hr by competitive ELISA |
Bioorg Med Chem 19: 1966-71 (2011)
Article DOI: 10.1016/j.bmc.2011.01.060
BindingDB Entry DOI: 10.7270/Q2QZ2B7T |
More data for this
Ligand-Target Pair | |
B-cell receptor CD22
(Homo sapiens (Human)) | BDBM50274296
(CHEMBL501599 | p-Methoxyphenyl (3,5,9-trideoxy-5-g...)Show SMILES COc1ccc(O[C@@H]2O[C@H](CO[C@@]3(C[C@H](O)[C@@H](NC(=O)CO)[C@@H](O3)[C@H](O)[C@H](O)CNC(=O)Cc3ccc(cc3)-c3ccc(O)cc3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C38H46N2O17/c1-53-23-10-12-24(13-11-23)55-36-34(50)33(49)32(48)27(56-36)18-54-38(37(51)52)15-25(43)30(40-29(46)17-41)35(57-38)31(47)26(44)16-39-28(45)14-19-2-4-20(5-3-19)21-6-8-22(42)9-7-21/h2-13,25-27,30-36,41-44,47-50H,14-18H2,1H3,(H,39,45)(H,40,46)(H,51,52)/t25-,26+,27+,30+,31+,32-,33-,34+,35+,36+,38+/m0/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu University
Curated by ChEMBL
| Assay Description
Antagonist activity at human CD22 after 1 hr by competitive ELISA |
Bioorg Med Chem 19: 1966-71 (2011)
Article DOI: 10.1016/j.bmc.2011.01.060
BindingDB Entry DOI: 10.7270/Q2QZ2B7T |
More data for this
Ligand-Target Pair | |
B-cell receptor CD22
(Homo sapiens (Human)) | BDBM50338747
((4-Biphenyl)methyl 3,5,9-trideoxy-5-glycolamido-9-...)Show SMILES OCC(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccc(cc2)-c2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CNCc1ccc(cc1)-c1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C37H40N2O10/c40-21-32(44)39-33-30(42)18-37(36(46)47,48-22-24-8-12-26(13-9-24)25-4-2-1-3-5-25)49-35(33)34(45)31(43)20-38-19-23-6-10-27(11-7-23)28-14-16-29(41)17-15-28/h1-17,30-31,33-35,38,40-43,45H,18-22H2,(H,39,44)(H,46,47)/t30-,31+,33+,34+,35+,37+/m0/s1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu University
Curated by ChEMBL
| Assay Description
Antagonist activity at human CD22 after 1 hr by competitive ELISA |
Bioorg Med Chem 19: 1966-71 (2011)
Article DOI: 10.1016/j.bmc.2011.01.060
BindingDB Entry DOI: 10.7270/Q2QZ2B7T |
More data for this
Ligand-Target Pair | |
B-cell receptor CD22
(Mus musculus) | BDBM50274296
(CHEMBL501599 | p-Methoxyphenyl (3,5,9-trideoxy-5-g...)Show SMILES COc1ccc(O[C@@H]2O[C@H](CO[C@@]3(C[C@H](O)[C@@H](NC(=O)CO)[C@@H](O3)[C@H](O)[C@H](O)CNC(=O)Cc3ccc(cc3)-c3ccc(O)cc3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C38H46N2O17/c1-53-23-10-12-24(13-11-23)55-36-34(50)33(49)32(48)27(56-36)18-54-38(37(51)52)15-25(43)30(40-29(46)17-41)35(57-38)31(47)26(44)16-39-28(45)14-19-2-4-20(5-3-19)21-6-8-22(42)9-7-21/h2-13,25-27,30-36,41-44,47-50H,14-18H2,1H3,(H,39,45)(H,40,46)(H,51,52)/t25-,26+,27+,30+,31+,32-,33-,34+,35+,36+,38+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu University
Curated by ChEMBL
| Assay Description
Antagonist activity at mouse CD22 after 1 hr by competitive ELISA |
Bioorg Med Chem 19: 1966-71 (2011)
Article DOI: 10.1016/j.bmc.2011.01.060
BindingDB Entry DOI: 10.7270/Q2QZ2B7T |
More data for this
Ligand-Target Pair | |
B-cell receptor CD22
(Mus musculus) | BDBM50338745
(Benzyl 3,5,9-trideoxy-5-glycolamido-9-(4'-fluoro-4...)Show SMILES OCC(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)Cc1ccc(cc1)-c1ccc(F)cc1)C(O)=O |r| Show InChI InChI=1S/C32H35FN2O10/c33-23-12-10-22(11-13-23)21-8-6-19(7-9-21)14-26(39)34-16-25(38)29(41)30-28(35-27(40)17-36)24(37)15-32(45-30,31(42)43)44-18-20-4-2-1-3-5-20/h1-13,24-25,28-30,36-38,41H,14-18H2,(H,34,39)(H,35,40)(H,42,43)/t24-,25+,28+,29+,30+,32+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu University
Curated by ChEMBL
| Assay Description
Antagonist activity at mouse CD22 after 1 hr by competitive ELISA |
Bioorg Med Chem 19: 1966-71 (2011)
Article DOI: 10.1016/j.bmc.2011.01.060
BindingDB Entry DOI: 10.7270/Q2QZ2B7T |
More data for this
Ligand-Target Pair | |
B-cell receptor CD22
(Mus musculus) | BDBM50338746
(Benzyl 3,5,9-trideoxy-5-glycolamido-9-(4'-hydroxy-...)Show SMILES OCC(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CNCc1ccc(cc1)-c1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C31H36N2O10/c34-17-26(38)33-27-24(36)14-31(30(40)41,42-18-20-4-2-1-3-5-20)43-29(27)28(39)25(37)16-32-15-19-6-8-21(9-7-19)22-10-12-23(35)13-11-22/h1-13,24-25,27-29,32,34-37,39H,14-18H2,(H,33,38)(H,40,41)/t24-,25+,27+,28+,29+,31+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu University
Curated by ChEMBL
| Assay Description
Antagonist activity at mouse CD22 after 1 hr by competitive ELISA |
Bioorg Med Chem 19: 1966-71 (2011)
Article DOI: 10.1016/j.bmc.2011.01.060
BindingDB Entry DOI: 10.7270/Q2QZ2B7T |
More data for this
Ligand-Target Pair | |
B-cell receptor CD22
(Mus musculus) | BDBM50274303
(CHEMBL502862 | p-Methoxyphenyl (3,5,9-trideoxy-5-g...)Show SMILES COc1ccc(O[C@@H]2O[C@H](CO[C@@]3(C[C@H](O)[C@@H](NC(=O)CO)[C@@H](O3)[C@H](O)[C@H](O)CNCc3ccc(cc3)-c3ccc(O)cc3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C37H46N2O16/c1-51-23-10-12-24(13-11-23)53-35-33(48)32(47)31(46)27(54-35)18-52-37(36(49)50)14-25(42)29(39-28(44)17-40)34(55-37)30(45)26(43)16-38-15-19-2-4-20(5-3-19)21-6-8-22(41)9-7-21/h2-13,25-27,29-35,38,40-43,45-48H,14-18H2,1H3,(H,39,44)(H,49,50)/t25-,26+,27+,29+,30+,31-,32-,33+,34+,35+,37+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu University
Curated by ChEMBL
| Assay Description
Antagonist activity at mouse CD22 after 1 hr by competitive ELISA |
Bioorg Med Chem 19: 1966-71 (2011)
Article DOI: 10.1016/j.bmc.2011.01.060
BindingDB Entry DOI: 10.7270/Q2QZ2B7T |
More data for this
Ligand-Target Pair | |
Myelin-associated glycoprotein
(Homo sapiens (Human)) | BDBM50338746
(Benzyl 3,5,9-trideoxy-5-glycolamido-9-(4'-hydroxy-...)Show SMILES OCC(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CNCc1ccc(cc1)-c1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C31H36N2O10/c34-17-26(38)33-27-24(36)14-31(30(40)41,42-18-20-4-2-1-3-5-20)43-29(27)28(39)25(37)16-32-15-19-6-8-21(9-7-19)22-10-12-23(35)13-11-22/h1-13,24-25,27-29,32,34-37,39H,14-18H2,(H,33,38)(H,40,41)/t24-,25+,27+,28+,29+,31+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu University
Curated by ChEMBL
| Assay Description
Inhibition of human MAG after 1 hr by competitive ELISA |
Bioorg Med Chem 19: 1966-71 (2011)
Article DOI: 10.1016/j.bmc.2011.01.060
BindingDB Entry DOI: 10.7270/Q2QZ2B7T |
More data for this
Ligand-Target Pair | |
Myelin-associated glycoprotein
(Homo sapiens (Human)) | BDBM50338747
((4-Biphenyl)methyl 3,5,9-trideoxy-5-glycolamido-9-...)Show SMILES OCC(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccc(cc2)-c2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CNCc1ccc(cc1)-c1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C37H40N2O10/c40-21-32(44)39-33-30(42)18-37(36(46)47,48-22-24-8-12-26(13-9-24)25-4-2-1-3-5-25)49-35(33)34(45)31(43)20-38-19-23-6-10-27(11-7-23)28-14-16-29(41)17-15-28/h1-17,30-31,33-35,38,40-43,45H,18-22H2,(H,39,44)(H,46,47)/t30-,31+,33+,34+,35+,37+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.66E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu University
Curated by ChEMBL
| Assay Description
Inhibition of human MAG after 1 hr by competitive ELISA |
Bioorg Med Chem 19: 1966-71 (2011)
Article DOI: 10.1016/j.bmc.2011.01.060
BindingDB Entry DOI: 10.7270/Q2QZ2B7T |
More data for this
Ligand-Target Pair | |
B-cell receptor CD22
(Mus musculus) | BDBM50338747
((4-Biphenyl)methyl 3,5,9-trideoxy-5-glycolamido-9-...)Show SMILES OCC(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccc(cc2)-c2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CNCc1ccc(cc1)-c1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C37H40N2O10/c40-21-32(44)39-33-30(42)18-37(36(46)47,48-22-24-8-12-26(13-9-24)25-4-2-1-3-5-25)49-35(33)34(45)31(43)20-38-19-23-6-10-27(11-7-23)28-14-16-29(41)17-15-28/h1-17,30-31,33-35,38,40-43,45H,18-22H2,(H,39,44)(H,46,47)/t30-,31+,33+,34+,35+,37+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu University
Curated by ChEMBL
| Assay Description
Antagonist activity at mouse CD22 after 1 hr by competitive ELISA |
Bioorg Med Chem 19: 1966-71 (2011)
Article DOI: 10.1016/j.bmc.2011.01.060
BindingDB Entry DOI: 10.7270/Q2QZ2B7T |
More data for this
Ligand-Target Pair | |
Myelin-associated glycoprotein
(Homo sapiens (Human)) | BDBM50274303
(CHEMBL502862 | p-Methoxyphenyl (3,5,9-trideoxy-5-g...)Show SMILES COc1ccc(O[C@@H]2O[C@H](CO[C@@]3(C[C@H](O)[C@@H](NC(=O)CO)[C@@H](O3)[C@H](O)[C@H](O)CNCc3ccc(cc3)-c3ccc(O)cc3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C37H46N2O16/c1-51-23-10-12-24(13-11-23)53-35-33(48)32(47)31(46)27(54-35)18-52-37(36(49)50)14-25(42)29(39-28(44)17-40)34(55-37)30(45)26(43)16-38-15-19-2-4-20(5-3-19)21-6-8-22(41)9-7-21/h2-13,25-27,29-35,38,40-43,45-48H,14-18H2,1H3,(H,39,44)(H,49,50)/t25-,26+,27+,29+,30+,31-,32-,33+,34+,35+,37+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.74E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu University
Curated by ChEMBL
| Assay Description
Inhibition of human MAG after 1 hr by competitive ELISA |
Bioorg Med Chem 19: 1966-71 (2011)
Article DOI: 10.1016/j.bmc.2011.01.060
BindingDB Entry DOI: 10.7270/Q2QZ2B7T |
More data for this
Ligand-Target Pair | |
Myelin-associated glycoprotein
(Homo sapiens (Human)) | BDBM50274296
(CHEMBL501599 | p-Methoxyphenyl (3,5,9-trideoxy-5-g...)Show SMILES COc1ccc(O[C@@H]2O[C@H](CO[C@@]3(C[C@H](O)[C@@H](NC(=O)CO)[C@@H](O3)[C@H](O)[C@H](O)CNC(=O)Cc3ccc(cc3)-c3ccc(O)cc3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C38H46N2O17/c1-53-23-10-12-24(13-11-23)55-36-34(50)33(49)32(48)27(56-36)18-54-38(37(51)52)15-25(43)30(40-29(46)17-41)35(57-38)31(47)26(44)16-39-28(45)14-19-2-4-20(5-3-19)21-6-8-22(42)9-7-21/h2-13,25-27,30-36,41-44,47-50H,14-18H2,1H3,(H,39,45)(H,40,46)(H,51,52)/t25-,26+,27+,30+,31+,32-,33-,34+,35+,36+,38+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.36E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu University
Curated by ChEMBL
| Assay Description
Inhibition of human MAG after 1 hr by competitive ELISA |
Bioorg Med Chem 19: 1966-71 (2011)
Article DOI: 10.1016/j.bmc.2011.01.060
BindingDB Entry DOI: 10.7270/Q2QZ2B7T |
More data for this
Ligand-Target Pair | |
Myelin-associated glycoprotein
(Homo sapiens (Human)) | BDBM50338744
((2R,4S,5R,6R)-2-(biphenyl-4-ylmethoxy)-6-((1R,2R)-...)Show SMILES OCC(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccc(cc2)-c2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)Cc1ccc(cc1)-c1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C38H40N2O11/c41-21-33(46)40-34-30(43)19-38(37(48)49,50-22-24-8-12-26(13-9-24)25-4-2-1-3-5-25)51-36(34)35(47)31(44)20-39-32(45)18-23-6-10-27(11-7-23)28-14-16-29(42)17-15-28/h1-17,30-31,34-36,41-44,47H,18-22H2,(H,39,45)(H,40,46)(H,48,49)/t30-,31+,34+,35+,36+,38+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.64E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu University
Curated by ChEMBL
| Assay Description
Inhibition of human MAG after 1 hr by competitive ELISA |
Bioorg Med Chem 19: 1966-71 (2011)
Article DOI: 10.1016/j.bmc.2011.01.060
BindingDB Entry DOI: 10.7270/Q2QZ2B7T |
More data for this
Ligand-Target Pair | |
Myelin-associated glycoprotein
(Homo sapiens (Human)) | BDBM50338743
(CHEMBL1684360 | benzyl 3,5,9-trideoxy-5-glycolamid...)Show SMILES OCC(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)Cc1ccc(cc1)-c1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C32H36N2O11/c35-17-27(40)34-28-24(37)15-32(31(42)43,44-18-20-4-2-1-3-5-20)45-30(28)29(41)25(38)16-33-26(39)14-19-6-8-21(9-7-19)22-10-12-23(36)13-11-22/h1-13,24-25,28-30,35-38,41H,14-18H2,(H,33,39)(H,34,40)(H,42,43)/t24-,25+,28+,29+,30+,32+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.71E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu University
Curated by ChEMBL
| Assay Description
Inhibition of human MAG after 1 hr by competitive ELISA |
Bioorg Med Chem 19: 1966-71 (2011)
Article DOI: 10.1016/j.bmc.2011.01.060
BindingDB Entry DOI: 10.7270/Q2QZ2B7T |
More data for this
Ligand-Target Pair | |
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