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Compile Data Set for Download or QSAR

Found 71 hits Enz. Inhib. hit(s) with Target = 'B-cell receptor CD22'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50592890
PNG
(CHEMBL5184174)
Show SMILES [Na;v0+].[H][C@]1([#8][C@@]([#6]-[#6@H](-[#8])-[#6@H]1-[#7]-[#6](-[#6])=O)([#8]-[#6]-[#6]-[#6]-[#16]-[#6]-[#6]-[#7]-[#6](=O)-c1ccccc1)[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-c1ccccc1 |r|
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n/an/a 0.320n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00765
BindingDB Entry DOI: 10.7270/Q2QV3RHQ
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50592889
PNG
(CHEMBL5185214)
Show SMILES [Na;v0+].[Na;v0+].[H][C@]1([#8][C@@]([#6]-[#6@H](-[#8])-[#6@H]1-[#7]-[#6](-[#6])=O)([#8]-[#6]-[#6]-[#6]-[#16]-[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=O)-[#7]-[#6]-[#6]-[#16]-[#6]-[#6]-[#6]-[#8][C@@]1([#6]-[#6@H](-[#8])-[#6@@H](-[#7]-[#6](-[#6])=O)[C@@]([H])([#8]1)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-c1ccccc1)[#6](-[#8-])=O)[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r|
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n/an/a 0.390n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00765
BindingDB Entry DOI: 10.7270/Q2QV3RHQ
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50592887
PNG
(CHEMBL5197497)
Show SMILES [Na;v0+].[Na;v0+].[H][C@]1([#8][C@@]([#6]-[#6@H](-[#8])-[#6@H]1-[#7]-[#6](-[#6])=O)([#8]-[#6]-[#6]-[#6]-[#16]-[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=O)-[#7]-[#6]-[#6]-[#16]-[#6]-[#6]-[#6]-[#8][C@@]1([#6]-[#6@H](-[#8])-[#6@@H](-[#7]-[#6](-[#6])=O)[C@@]([H])([#8]1)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-c1ccccc1)[#6](-[#8-])=O)[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-c1ccccc1 |r|
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n/an/a 0.410n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00765
BindingDB Entry DOI: 10.7270/Q2QV3RHQ
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50338744
PNG
((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
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n/an/a 70n/an/an/an/an/an/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
PNG
(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
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n/an/a 100n/an/an/an/an/an/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)
BDBM50378467
PNG
(CHEMBL569163)
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
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n/an/a 100n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to mouse CD22 after 1 hr by competition ELISA


Bioorg Med Chem Lett 19: 5573-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.044
BindingDB Entry DOI: 10.7270/Q2TH8NP3
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50338743
PNG
(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
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n/an/a 130n/an/an/an/an/an/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
PNG
((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
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n/an/a 190n/an/an/an/an/an/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)
BDBM50378468
PNG
(CHEMBL569015)
Show SMILES OCC(=O)N[C@H]1[C@@H](O)C[C@@](OC(c2ccccc2)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/c41-22-32(46)40-33-29(43)20-38(37(48)49,50-35(26-7-3-1-4-8-26)27-9-5-2-6-10-27)51-36(33)34(47)30(44)21-39-31(45)19-23-11-13-24(14-12-23)25-15-17-28(42)18-16-25/h1-18,29-30,33-36,41-44,47H,19-22H2,(H,39,45)(H,40,46)(H,48,49)/t29-,30+,33-,34+,36+,38+/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to mouse CD22 after 1 hr by competition ELISA


Bioorg Med Chem Lett 19: 5573-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.044
BindingDB Entry DOI: 10.7270/Q2TH8NP3
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50274307
PNG
(CHEMBL511111 | 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)-c3ccccc3O)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C37H46N2O16/c1-51-21-10-12-22(13-11-21)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)16-38-15-19-6-8-20(9-7-19)23-4-2-3-5-24(23)41/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
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n/an/a 230n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50274303
PNG
(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
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n/an/a 240n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50274292
PNG
(CHEMBL509768 | 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)c3ccc(cc3)-c3ccc(O)cc3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C37H44N2O17/c1-52-22-10-12-23(13-11-22)54-35-32(48)31(47)30(46)26(55-35)17-53-37(36(50)51)14-24(42)28(39-27(44)16-40)33(56-37)29(45)25(43)15-38-34(49)20-4-2-18(3-5-20)19-6-8-21(41)9-7-19/h2-13,24-26,28-33,35,40-43,45-48H,14-17H2,1H3,(H,38,49)(H,39,44)(H,50,51)/t24-,25+,26+,28+,29+,30-,31-,32+,33+,35+,37+/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50274300
PNG
(CHEMBL509633 | p-Methoxyphenyl (9-(4-biphenyl)meth...)
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)-c3ccccc3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C37H46N2O15/c1-50-23-11-13-24(14-12-23)52-35-33(47)32(46)31(45)27(53-35)19-51-37(36(48)49)15-25(41)29(39-28(43)18-40)34(54-37)30(44)26(42)17-38-16-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h2-14,25-27,29-35,38,40-42,44-47H,15-19H2,1H3,(H,39,43)(H,48,49)/t25-,26+,27+,29+,30+,31-,32-,33+,34+,35+,37+/m0/s1
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n/an/a 470n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50274303
PNG
(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
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n/an/a 530n/an/an/an/an/an/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
PNG
(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
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n/an/a 820n/an/an/an/an/an/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
PNG
(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
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n/an/a 900n/an/an/an/an/an/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
PNG
(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
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n/an/a 900n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50274291
PNG
(CHEMBL502788 | 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)Cc3ccc4ccccc4c3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C36H44N2O16/c1-50-21-8-10-22(11-9-21)52-34-32(47)31(46)30(45)25(53-34)17-51-36(35(48)49)14-23(40)28(38-27(43)16-39)33(54-36)29(44)24(41)15-37-26(42)13-18-6-7-19-4-2-3-5-20(19)12-18/h2-12,23-25,28-34,39-41,44-47H,13-17H2,1H3,(H,37,42)(H,38,43)(H,48,49)/t23-,24+,25+,28+,29+,30-,31-,32+,33+,34+,36+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50274289
PNG
(CHEMBL503830 | p-Methoxyphenyl (9-(4-biphenylcarbo...)
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)c3ccc(cc3)-c3ccccc3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C37H44N2O16/c1-51-22-11-13-23(14-12-22)53-35-32(47)31(46)30(45)26(54-35)18-52-37(36(49)50)15-24(41)28(39-27(43)17-40)33(55-37)29(44)25(42)16-38-34(48)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-14,24-26,28-33,35,40-42,44-47H,15-18H2,1H3,(H,38,48)(H,39,43)(H,49,50)/t24-,25+,26+,28+,29+,30-,31-,32+,33+,35+,37+/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50338747
PNG
((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
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n/an/a 1.12E+3n/an/an/an/an/an/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))
BDBM50274306
PNG
(CHEMBL505326 | 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)-c3cccc(O)c3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C37H46N2O16/c1-51-23-9-11-24(12-10-23)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)16-38-15-19-5-7-20(8-6-19)21-3-2-4-22(41)13-21/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
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n/an/a 1.73E+3n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50274308
PNG
(CHEMBL504222 | 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(OC)cc3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C38H48N2O16/c1-51-23-9-7-22(8-10-23)21-5-3-20(4-6-21)16-39-17-27(43)31(45)35-30(40-29(44)18-41)26(42)15-38(56-35,37(49)50)53-19-28-32(46)33(47)34(48)36(55-28)54-25-13-11-24(52-2)12-14-25/h3-14,26-28,30-36,39,41-43,45-48H,15-19H2,1-2H3,(H,40,44)(H,49,50)/t26-,27+,28+,30+,31+,32-,33-,34+,35+,36+,38+/m0/s1
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n/an/a 1.76E+3n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50592887
PNG
(CHEMBL5197497)
Show SMILES [Na;v0+].[Na;v0+].[H][C@]1([#8][C@@]([#6]-[#6@H](-[#8])-[#6@H]1-[#7]-[#6](-[#6])=O)([#8]-[#6]-[#6]-[#6]-[#16]-[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=O)-[#7]-[#6]-[#6]-[#16]-[#6]-[#6]-[#6]-[#8][C@@]1([#6]-[#6@H](-[#8])-[#6@@H](-[#7]-[#6](-[#6])=O)[C@@]([H])([#8]1)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-c1ccccc1)[#6](-[#8-])=O)[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-c1ccccc1 |r|
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n/an/a 2.20E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00765
BindingDB Entry DOI: 10.7270/Q2QV3RHQ
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50274282
PNG
(CHEMBL467951 | 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)c3ccc4ccccc4c3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C35H42N2O16/c1-49-20-8-10-21(11-9-20)51-33-30(45)29(44)28(43)24(52-33)16-50-35(34(47)48)13-22(39)26(37-25(41)15-38)31(53-35)27(42)23(40)14-36-32(46)19-7-6-17-4-2-3-5-18(17)12-19/h2-12,22-24,26-31,33,38-40,42-45H,13-16H2,1H3,(H,36,46)(H,37,41)(H,47,48)/t22-,23+,24+,26+,27+,28-,29-,30+,31+,33+,35+/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50274290
PNG
(CHEMBL451427 | p-Methoxyphenyl (9-(4-biphenyl)acet...)
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)-c3ccccc3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C38H46N2O16/c1-52-23-11-13-24(14-12-23)54-36-34(49)33(48)32(47)27(55-36)19-53-38(37(50)51)16-25(42)30(40-29(45)18-41)35(56-38)31(46)26(43)17-39-28(44)15-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h2-14,25-27,30-36,41-43,46-49H,15-19H2,1H3,(H,39,44)(H,40,45)(H,50,51)/t25-,26+,27+,30+,31+,32-,33-,34+,35+,36+,38+/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Mus musculus)
BDBM50274296
PNG
(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
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n/an/a 3.84E+3n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to mouse CD22 after 1 hr by competition ELISA


Bioorg Med Chem Lett 19: 5573-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.044
BindingDB Entry DOI: 10.7270/Q2TH8NP3
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Mus musculus)
BDBM50274296
PNG
(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
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n/an/a 3.84E+3n/an/an/an/an/an/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))
BDBM50274295
PNG
(CHEMBL446730 | 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)-c3cccc(O)c3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C38H46N2O17/c1-53-23-9-11-24(12-10-23)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)13-19-5-7-20(8-6-19)21-3-2-4-22(42)14-21/h2-12,14,25-27,30-36,41-44,47-50H,13,15-18H2,1H3,(H,39,45)(H,40,46)(H,51,52)/t25-,26+,27+,30+,31+,32-,33-,34+,35+,36+,38+/m0/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Mus musculus)
BDBM50338745
PNG
(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
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n/an/a 5.00E+3n/an/an/an/an/an/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
PNG
(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
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n/an/a 5.03E+3n/an/an/an/an/an/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))
BDBM50274301
PNG
(CHEMBL453397 | p-Methoxyphenyl (9-2(4-biphenyl)eth...)
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)CNCCc3ccc(cc3)-c3ccccc3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C38H48N2O15/c1-51-24-11-13-25(14-12-24)53-36-34(48)33(47)32(46)28(54-36)20-52-38(37(49)50)17-26(42)30(40-29(44)19-41)35(55-38)31(45)27(43)18-39-16-15-21-7-9-23(10-8-21)22-5-3-2-4-6-22/h2-14,26-28,30-36,39,41-43,45-48H,15-20H2,1H3,(H,40,44)(H,49,50)/t26-,27+,28+,30+,31+,32-,33-,34+,35+,36+,38+/m0/s1
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n/an/a 5.48E+3n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50274302
PNG
(CHEMBL448298 | p-Methoxyphenyl (9-4(4-biphenyl)but...)
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)CNCCCCc3ccc(cc3)-c3ccccc3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C40H52N2O15/c1-53-26-14-16-27(17-15-26)55-38-36(50)35(49)34(48)30(56-38)22-54-40(39(51)52)19-28(44)32(42-31(46)21-43)37(57-40)33(47)29(45)20-41-18-6-5-7-23-10-12-25(13-11-23)24-8-3-2-4-9-24/h2-4,8-17,28-30,32-38,41,43-45,47-50H,5-7,18-22H2,1H3,(H,42,46)(H,51,52)/t28-,29+,30+,32+,33+,34-,35-,36+,37+,38+,40+/m0/s1
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n/an/a 6.22E+3n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Mus musculus)
BDBM50274303
PNG
(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
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n/an/a 6.43E+3n/an/an/an/an/an/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))
BDBM50274293
PNG
(CHEMBL508909 | p-Methoxyphenyl (9-(3beta-carboxy-4...)
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)c3ccc(cc3)-c3cccc(c3)C(O)=O)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C38H44N2O18/c1-54-22-9-11-23(12-10-22)56-36-32(48)31(47)30(46)26(57-36)17-55-38(37(52)53)14-24(42)28(40-27(44)16-41)33(58-38)29(45)25(43)15-39-34(49)19-7-5-18(6-8-19)20-3-2-4-21(13-20)35(50)51/h2-13,24-26,28-33,36,41-43,45-48H,14-17H2,1H3,(H,39,49)(H,40,44)(H,50,51)(H,52,53)/t24-,25+,26+,28+,29+,30-,31-,32+,33+,36+,38+/m0/s1
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n/an/a 7.13E+3n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50274305
PNG
(CHEMBL500461 | p-Methoxyphenyl (9-(3'-carboxy-4-bi...)
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)-c3cccc(c3)C(O)=O)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C38H46N2O17/c1-53-23-9-11-24(12-10-23)55-36-33(48)32(47)31(46)27(56-36)18-54-38(37(51)52)14-25(42)29(40-28(44)17-41)34(57-38)30(45)26(43)16-39-15-19-5-7-20(8-6-19)21-3-2-4-22(13-21)35(49)50/h2-13,25-27,29-34,36,39,41-43,45-48H,14-18H2,1H3,(H,40,44)(H,49,50)(H,51,52)/t25-,26+,27+,29+,30+,31-,32-,33+,34+,36+,38+/m0/s1
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n/an/a 7.48E+3n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50274287
PNG
(CHEMBL499744 | 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)CCc3ccc(O)cc3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C33H44N2O17/c1-48-18-7-9-19(10-8-18)50-31-29(45)28(44)27(43)22(51-31)15-49-33(32(46)47)12-20(38)25(35-24(41)14-36)30(52-33)26(42)21(39)13-34-23(40)11-4-16-2-5-17(37)6-3-16/h2-3,5-10,20-22,25-31,36-39,42-45H,4,11-15H2,1H3,(H,34,40)(H,35,41)(H,46,47)/t20-,21+,22+,25+,26+,27-,28-,29+,30+,31+,33+/m0/s1
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n/an/a 7.65E+3n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50274285
PNG
(CHEMBL510261 | 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)C(c3ccccc3)c3ccccc3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C38H46N2O16/c1-52-22-12-14-23(15-13-22)54-36-33(48)32(47)31(46)26(55-36)19-53-38(37(50)51)16-24(42)29(40-27(44)18-41)34(56-38)30(45)25(43)17-39-35(49)28(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,24-26,28-34,36,41-43,45-48H,16-19H2,1H3,(H,39,49)(H,40,44)(H,50,51)/t24-,25+,26+,29+,30+,31-,32-,33+,34+,36+,38+/m0/s1
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n/an/a 8.85E+3n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50274309
PNG
(CHEMBL460576 | 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(C)cc3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C38H48N2O15/c1-20-3-7-22(8-4-20)23-9-5-21(6-10-23)16-39-17-27(43)31(45)35-30(40-29(44)18-41)26(42)15-38(55-35,37(49)50)52-19-28-32(46)33(47)34(48)36(54-28)53-25-13-11-24(51-2)12-14-25/h3-14,26-28,30-36,39,41-43,45-48H,15-19H2,1-2H3,(H,40,44)(H,49,50)/t26-,27+,28+,30+,31+,32-,33-,34+,35+,36+,38+/m0/s1
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n/an/a 9.83E+3n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50274286
PNG
(CHEMBL505684 | 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)CCc3ccccc3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C33H44N2O16/c1-47-18-8-10-19(11-9-18)49-31-29(44)28(43)27(42)22(50-31)16-48-33(32(45)46)13-20(37)25(35-24(40)15-36)30(51-33)26(41)21(38)14-34-23(39)12-7-17-5-3-2-4-6-17/h2-6,8-11,20-22,25-31,36-38,41-44H,7,12-16H2,1H3,(H,34,39)(H,35,40)(H,45,46)/t20-,21+,22+,25+,26+,27-,28-,29+,30+,31+,33+/m0/s1
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n/an/a 1.04E+4n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50274283
PNG
(CHEMBL499384 | p-Methoxyphenyl (9-cyclohexanecarbo...)
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)C3CCCCC3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C31H46N2O16/c1-45-16-7-9-17(10-8-16)47-29-26(41)25(40)24(39)20(48-29)14-46-31(30(43)44)11-18(35)22(33-21(37)13-34)27(49-31)23(38)19(36)12-32-28(42)15-5-3-2-4-6-15/h7-10,15,18-20,22-27,29,34-36,38-41H,2-6,11-14H2,1H3,(H,32,42)(H,33,37)(H,43,44)/t18-,19+,20+,22+,23+,24-,25-,26+,27+,29+,31+/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50274288
PNG
(CHEMBL447407 | 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)CCCc3cc4cccc5ccc6cccc3c6c45)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C44H50N2O16/c1-58-26-13-15-27(16-14-26)60-42-40(55)39(54)38(53)31(61-42)21-59-44(43(56)57)18-29(48)36(46-33(51)20-47)41(62-44)37(52)30(49)19-45-32(50)10-4-7-24-17-25-8-2-5-22-11-12-23-6-3-9-28(24)35(23)34(22)25/h2-3,5-6,8-9,11-17,29-31,36-42,47-49,52-55H,4,7,10,18-21H2,1H3,(H,45,50)(H,46,51)(H,56,57)/t29-,30+,31+,36+,37+,38-,39-,40+,41+,42+,44+/m0/s1
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n/an/a 2.11E+4n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Mus musculus)
BDBM50338747
PNG
((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
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n/an/a 2.33E+4n/an/an/an/an/an/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))
BDBM50592888
PNG
(CHEMBL5186305)
Show SMILES [Na;v0+].[Na;v0+].[H][C@]1([#8][C@@]([#6]-[#6@H](-[#8])-[#6@H]1-[#7]-[#6](-[#6])=O)([#8]-[#6]-[#6]-[#6]-[#16]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#16]-[#6]-[#6]-[#6]-[#8][C@@]1([#6]-[#6@H](-[#8])-[#6@@H](-[#7]-[#6](-[#6])=O)[C@@]([H])([#8]1)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-c1ccccc1)[#6](-[#8-])=O)[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-c1ccccc1 |r|
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n/an/a 2.40E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00765
BindingDB Entry DOI: 10.7270/Q2QV3RHQ
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50274298
PNG
(CHEMBL450770 | 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)CNCc3cc(OC)cc(OC)c3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C33H46N2O17/c1-46-17-4-6-18(7-5-17)50-31-29(43)28(42)27(41)23(51-31)15-49-33(32(44)45)11-21(37)25(35-24(39)14-36)30(52-33)26(40)22(38)13-34-12-16-8-19(47-2)10-20(9-16)48-3/h4-10,21-23,25-31,34,36-38,40-43H,11-15H2,1-3H3,(H,35,39)(H,44,45)/t21-,22+,23+,25+,26+,27-,28-,29+,30+,31+,33+/m0/s1
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n/an/a 2.48E+4n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50274299
PNG
(CHEMBL442728 | p-Methoxyphenyl (9-cyclohexylmethyl...)
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)CNCC3CCCCC3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C31H48N2O15/c1-44-17-7-9-18(10-8-17)46-29-27(41)26(40)25(39)21(47-29)15-45-31(30(42)43)11-19(35)23(33-22(37)14-34)28(48-31)24(38)20(36)13-32-12-16-5-3-2-4-6-16/h7-10,16,19-21,23-29,32,34-36,38-41H,2-6,11-15H2,1H3,(H,33,37)(H,42,43)/t19-,20+,21+,23+,24+,25-,26-,27+,28+,29+,31+/m0/s1
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n/an/a 3.77E+4n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50274284
PNG
(CHEMBL451579 | p-Methoxyphenyl (3,5,9-trideoxy-5-g...)
Show SMILES CCCCCC(=O)NC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](C[C@H](O)[C@H]1NC(=O)CO)(OC[C@H]1O[C@@H](Oc2ccc(OC)cc2)[C@H](O)[C@@H](O)[C@H]1O)C(O)=O |r|
Show InChI InChI=1S/C30H46N2O16/c1-3-4-5-6-20(36)31-12-18(35)23(38)27-22(32-21(37)13-33)17(34)11-30(48-27,29(42)43)45-14-19-24(39)25(40)26(41)28(47-19)46-16-9-7-15(44-2)8-10-16/h7-10,17-19,22-28,33-35,38-41H,3-6,11-14H2,1-2H3,(H,31,36)(H,32,37)(H,42,43)/t17-,18+,19+,22+,23+,24-,25-,26+,27+,28+,30+/m0/s1
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n/an/a 4.09E+4n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50274304
PNG
(CHEMBL504353 | p-Methoxyphenyl (9-(4'-carboxy-4-bi...)
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(cc3)C(O)=O)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)55-36-33(48)32(47)31(46)27(56-36)18-54-38(37(51)52)14-25(42)29(40-28(44)17-41)34(57-38)30(45)26(43)16-39-15-19-2-4-20(5-3-19)21-6-8-22(9-7-21)35(49)50/h2-13,25-27,29-34,36,39,41-43,45-48H,14-18H2,1H3,(H,40,44)(H,49,50)(H,51,52)/t25-,26+,27+,29+,30+,31-,32-,33+,34+,36+,38+/m0/s1
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n/an/a 4.30E+4n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50274310
PNG
(CHEMBL451045 | p-Methoxyphenyl (3,5,9-trideoxy-9-(...)
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(cc3)C(F)(F)F)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C38H45F3N2O15/c1-54-23-10-12-24(13-11-23)56-35-33(51)32(50)31(49)27(57-35)18-55-37(36(52)53)14-25(45)29(43-28(47)17-44)34(58-37)30(48)26(46)16-42-15-19-2-4-20(5-3-19)21-6-8-22(9-7-21)38(39,40)41/h2-13,25-27,29-35,42,44-46,48-51H,14-18H2,1H3,(H,43,47)(H,52,53)/t25-,26+,27+,29+,30+,31-,32-,33+,34+,35+,37+/m0/s1
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n/an/a 4.50E+4n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50274294
PNG
(CHEMBL473316 | p-Methoxyphenyl (9-(4beta-carboxy-4...)
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)c3ccc(cc3)-c3ccc(cc3)C(O)=O)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C38H44N2O18/c1-54-22-10-12-23(13-11-22)56-36-32(48)31(47)30(46)26(57-36)17-55-38(37(52)53)14-24(42)28(40-27(44)16-41)33(58-38)29(45)25(43)15-39-34(49)20-6-2-18(3-7-20)19-4-8-21(9-5-19)35(50)51/h2-13,24-26,28-33,36,41-43,45-48H,14-17H2,1H3,(H,39,49)(H,40,44)(H,50,51)(H,52,53)/t24-,25+,26+,28+,29+,30-,31-,32+,33+,36+,38+/m0/s1
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n/an/a 7.33E+4n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Mus musculus)
BDBM50378466
PNG
(CHEMBL570442)
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)CN)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C24H36N2O15/c1-37-10-2-4-11(5-3-10)39-22-20(34)19(33)18(32)14(40-22)9-38-24(23(35)36)6-12(28)16(26-15(30)8-27)21(41-24)17(31)13(29)7-25/h2-5,12-14,16-22,27-29,31-34H,6-9,25H2,1H3,(H,26,30)(H,35,36)/t12-,13+,14+,16-,17+,18-,19-,20+,21+,22+,24+/m0/s1
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n/an/a 8.29E+4n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to mouse CD22 after 1 hr by competition ELISA


Bioorg Med Chem Lett 19: 5573-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.044
BindingDB Entry DOI: 10.7270/Q2TH8NP3
More data for this
Ligand-Target Pair
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