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Compile Data Set for Download or QSAR

Found 30 hits of kd for UniProtKB: P20917   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Myelin-associated glycoprotein


(Mus musculus)		BDBM50327099
PNG
(CHEMBL1253679 | sodium2R,4S,5R,6R)-6-((1R,2R)-3-(4...)
Show SMILES O[C@H](CNC(=O)c1ccc(Cl)cc1)[C@@H](O)[C@@H]1O[C@@](C[C@H](O)[C@H]1NC(=O)CF)(OCc1cccc(F)c1F)C([O-])=O |r|
Show InChI InChI=1S/C25H26ClF3N2O9/c26-14-6-4-12(5-7-14)23(36)30-10-17(33)21(35)22-20(31-18(34)9-27)16(32)8-25(40-22,24(37)38)39-11-13-2-1-3-15(28)19(13)29/h1-7,16-17,20-22,32-33,35H,8-11H2,(H,30,36)(H,31,34)(H,37,38)/p-1/t16-,17+,20+,21+,22+,25+/m0/s1
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n/an/an/a 500n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells by SPR analysis

J Med Chem 53: 1597-615 (2010)


Article DOI: 10.1021/jm901517k
BindingDB Entry DOI: 10.7270/Q2V69KHM
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Mus musculus)		BDBM50327099
PNG
(CHEMBL1253679 | sodium2R,4S,5R,6R)-6-((1R,2R)-3-(4...)
Show SMILES O[C@H](CNC(=O)c1ccc(Cl)cc1)[C@@H](O)[C@@H]1O[C@@](C[C@H](O)[C@H]1NC(=O)CF)(OCc1cccc(F)c1F)C([O-])=O |r|
Show InChI InChI=1S/C25H26ClF3N2O9/c26-14-6-4-12(5-7-14)23(36)30-10-17(33)21(35)22-20(31-18(34)9-27)16(32)8-25(40-22,24(37)38)39-11-13-2-1-3-15(28)19(13)29/h1-7,16-17,20-22,32-33,35H,8-11H2,(H,30,36)(H,31,34)(H,37,38)/p-1/t16-,17+,20+,21+,22+,25+/m0/s1
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n/an/an/a 500n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to mouse MAGd1-3Fc domain expressed in CHO-Lec1 cells by surface plasmon resonance

Bioorg Med Chem 18: 7239-51 (2010)


Article DOI: 10.1016/j.bmc.2010.08.027
BindingDB Entry DOI: 10.7270/Q2CV4J0S
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Mus musculus)		BDBM50378605
PNG
(CHEMBL590756)
Show SMILES O[C@H](CNC(=O)c1ccc(Cl)cc1)[C@H](O)[C@H]1O[C@@](C[C@@H](O)[C@@H]1NS(=O)(=O)c1ccccc1[N+]([O-])=O)(OCc1cccc(F)c1F)C([O-])=O |r,@@:23|
Show InChI InChI=1S/C29H28ClF2N3O12S/c30-17-10-8-15(9-11-17)27(39)33-13-21(37)25(38)26-24(34-48(44,45)22-7-2-1-6-19(22)35(42)43)20(36)12-29(47-26,28(40)41)46-14-16-4-3-5-18(31)23(16)32/h1-11,20-21,24-26,34,36-38H,12-14H2,(H,33,39)(H,40,41)/p-1/t20-,21-,24+,25+,26+,29-/m1/s1
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n/an/an/a 1.40E+3n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells by SPR analysis

J Med Chem 53: 1597-615 (2010)


Article DOI: 10.1021/jm901517k
BindingDB Entry DOI: 10.7270/Q2V69KHM
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Mus musculus)		BDBM50378604
PNG
(CHEMBL590929)
Show SMILES O[C@H](CNC(=O)c1ccc(Cl)cc1)[C@H](O)[C@H]1O[C@@](C[C@@H](O)[C@@H]1NC(=O)CCl)(OCc1cccc(F)c1F)C([O-])=O |r|
Show InChI InChI=1S/C25H26Cl2F2N2O9/c26-9-18(34)31-20-16(32)8-25(24(37)38,39-11-13-2-1-3-15(28)19(13)29)40-22(20)21(35)17(33)10-30-23(36)12-4-6-14(27)7-5-12/h1-7,16-17,20-22,32-33,35H,8-11H2,(H,30,36)(H,31,34)(H,37,38)/p-1/t16-,17-,20+,21+,22+,25-/m1/s1
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n/an/an/a 2.10E+3n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells by SPR analysis

J Med Chem 53: 1597-615 (2010)


Article DOI: 10.1021/jm901517k
BindingDB Entry DOI: 10.7270/Q2V69KHM
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Mus musculus)		BDBM50378607
PNG
(CHEMBL590980)
Show SMILES COCC(=O)N[C@H]1[C@H](O)C[C@@](OCc2cccc(F)c2F)(O[C@@H]1[C@@H](O)[C@H](O)CNC(=O)c1ccc(Cl)cc1)C([O-])=O |r|
Show InChI InChI=1S/C26H29ClF2N2O10/c1-39-12-19(34)31-21-17(32)9-26(25(37)38,40-11-14-3-2-4-16(28)20(14)29)41-23(21)22(35)18(33)10-30-24(36)13-5-7-15(27)8-6-13/h2-8,17-18,21-23,32-33,35H,9-12H2,1H3,(H,30,36)(H,31,34)(H,37,38)/p-1/t17-,18-,21+,22+,23+,26-/m1/s1
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n/an/an/a 2.30E+3n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells by SPR analysis

J Med Chem 53: 1597-615 (2010)


Article DOI: 10.1021/jm901517k
BindingDB Entry DOI: 10.7270/Q2V69KHM
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Mus musculus)		BDBM50378603
PNG
(CHEMBL600189)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@](OCc2cccc(F)c2F)(O[C@H]1[C@H](O)[C@@H](O)CNC(=O)c1ccc(Cl)cc1)C([O-])=O |r|
Show InChI InChI=1S/C25H27ClF2N2O9/c1-12(31)30-20-17(32)9-25(24(36)37,38-11-14-3-2-4-16(27)19(14)28)39-22(20)21(34)18(33)10-29-23(35)13-5-7-15(26)8-6-13/h2-8,17-18,20-22,32-34H,9-11H2,1H3,(H,29,35)(H,30,31)(H,36,37)/p-1/t17-,18-,20+,21+,22+,25-/m0/s1
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n/an/an/a 2.40E+3n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells by SPR analysis

J Med Chem 53: 1597-615 (2010)


Article DOI: 10.1021/jm901517k
BindingDB Entry DOI: 10.7270/Q2V69KHM
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Mus musculus)		BDBM50378610
PNG
(CHEMBL590917)
Show SMILES OC[C@@H]1O[C@H](O[C@H]2CCO[C@@H](COCc3ccc(cc3)-c3ccccc3)[C@@H]2O)[C@@H](O)[C@H](O[C@]2(C[C@H](O)[C@@H](NC(O)=O)[C@@H](O2)[C@H](O)[C@H](O)CNC(=O)c2ccc(Cl)cc2)C([O-])=O)[C@H]1O |r|
Show InChI InChI=1S/C42H51ClN2O18/c43-25-12-10-24(11-13-25)38(53)44-17-27(48)32(49)36-31(45-41(56)57)26(47)16-42(62-36,40(54)55)63-37-34(51)29(18-46)61-39(35(37)52)60-28-14-15-59-30(33(28)50)20-58-19-21-6-8-23(9-7-21)22-4-2-1-3-5-22/h1-13,26-37,39,45-52H,14-20H2,(H,44,53)(H,54,55)(H,56,57)/p-1/t26-,27+,28-,29-,30-,31+,32+,33+,34-,35-,36+,37+,39-,42+/m0/s1
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n/an/an/a 2.83E+3n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells by SPR analysis

J Med Chem 53: 1597-615 (2010)


Article DOI: 10.1021/jm901517k
BindingDB Entry DOI: 10.7270/Q2V69KHM
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Mus musculus)		BDBM50378608
PNG
(CHEMBL601721)
Show SMILES O[C@H](CNC(=O)c1ccc(Cl)cc1)[C@H](O)[C@H]1O[C@@](C[C@@H](O)[C@@H]1NC(=O)CC1CC1)(OCc1cccc(F)c1F)C([O-])=O |r,@@:26|
Show InChI InChI=1S/C28H31ClF2N2O9/c29-17-8-6-15(7-9-17)26(38)32-12-20(35)24(37)25-23(33-21(36)10-14-4-5-14)19(34)11-28(42-25,27(39)40)41-13-16-2-1-3-18(30)22(16)31/h1-3,6-9,14,19-20,23-25,34-35,37H,4-5,10-13H2,(H,32,38)(H,33,36)(H,39,40)/p-1/t19-,20-,23+,24+,25+,28-/m1/s1
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n/an/an/a 4.10E+3n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells by SPR analysis

J Med Chem 53: 1597-615 (2010)


Article DOI: 10.1021/jm901517k
BindingDB Entry DOI: 10.7270/Q2V69KHM
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Mus musculus)		BDBM50378602
PNG
(CHEMBL600188)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@](OCc2cccc(Cl)c2Cl)(O[C@H]1[C@H](O)[C@@H](O)CNC(=O)c1ccc(Cl)cc1)C([O-])=O |r|
Show InChI InChI=1S/C25H27Cl3N2O9/c1-12(31)30-20-17(32)9-25(24(36)37,38-11-14-3-2-4-16(27)19(14)28)39-22(20)21(34)18(33)10-29-23(35)13-5-7-15(26)8-6-13/h2-8,17-18,20-22,32-34H,9-11H2,1H3,(H,29,35)(H,30,31)(H,36,37)/p-1/t17-,18-,20+,21+,22+,25-/m0/s1
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n/an/an/a 4.30E+3n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells by SPR analysis

J Med Chem 53: 1597-615 (2010)


Article DOI: 10.1021/jm901517k
BindingDB Entry DOI: 10.7270/Q2V69KHM
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Mus musculus)		BDBM50378611
PNG
(CHEMBL590827)
Show SMILES OC[C@@H]1O[C@H](O[C@H]2CCO[C@@H](COCc3ccc(cc3)-c3ccccc3)[C@@H]2O)[C@@H](O)[C@H](O[C@]2(C[C@H](O)[C@@H](NC(O)=O)[C@@H](O2)[C@H](O)[C@H](O)CNC(=O)c2ccccc2)C([O-])=O)[C@H]1O |r|
Show InChI InChI=1S/C42H52N2O18/c45-19-29-34(50)37(35(51)39(60-29)59-28-15-16-58-30(33(28)49)21-57-20-22-11-13-24(14-12-22)23-7-3-1-4-8-23)62-42(40(53)54)17-26(46)31(44-41(55)56)36(61-42)32(48)27(47)18-43-38(52)25-9-5-2-6-10-25/h1-14,26-37,39,44-51H,15-21H2,(H,43,52)(H,53,54)(H,55,56)/p-1/t26-,27+,28-,29-,30-,31+,32+,33+,34-,35-,36+,37+,39-,42+/m0/s1
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n/an/an/a 4.44E+3n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells by SPR analysis

J Med Chem 53: 1597-615 (2010)


Article DOI: 10.1021/jm901517k
BindingDB Entry DOI: 10.7270/Q2V69KHM
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Mus musculus)		BDBM50378609
PNG
(CHEMBL601722)
Show SMILES O[C@H](CNC(=O)c1ccc(Cl)cc1)[C@H](O)[C@H]1O[C@@](C[C@@H](O)[C@@H]1NC(=O)CC1CCC1)(OCc1cccc(F)c1F)C([O-])=O |r,@@:26|
Show InChI InChI=1S/C29H33ClF2N2O9/c30-18-9-7-16(8-10-18)27(39)33-13-21(36)25(38)26-24(34-22(37)11-15-3-1-4-15)20(35)12-29(43-26,28(40)41)42-14-17-5-2-6-19(31)23(17)32/h2,5-10,15,20-21,24-26,35-36,38H,1,3-4,11-14H2,(H,33,39)(H,34,37)(H,40,41)/p-1/t20-,21-,24+,25+,26+,29-/m1/s1
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n/an/an/a 5.80E+3n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells by SPR analysis

J Med Chem 53: 1597-615 (2010)


Article DOI: 10.1021/jm901517k
BindingDB Entry DOI: 10.7270/Q2V69KHM
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Mus musculus)		BDBM50378600
PNG
(CHEMBL590978)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@](OCc2c(F)c(F)c(F)c(F)c2F)(O[C@H]1[C@H](O)[C@@H](O)CNC(=O)c1ccc(Cl)cc1)C([O-])=O |r|
Show InChI InChI=1S/C25H24ClF5N2O9/c1-9(34)33-20-13(35)6-25(24(39)40,41-8-12-15(27)17(29)19(31)18(30)16(12)28)42-22(20)21(37)14(36)7-32-23(38)10-2-4-11(26)5-3-10/h2-5,13-14,20-22,35-37H,6-8H2,1H3,(H,32,38)(H,33,34)(H,39,40)/p-1/t13-,14-,20+,21+,22+,25-/m0/s1
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n/an/an/a 6.10E+3n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells by SPR analysis

J Med Chem 53: 1597-615 (2010)


Article DOI: 10.1021/jm901517k
BindingDB Entry DOI: 10.7270/Q2V69KHM
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Mus musculus)		BDBM50378601
PNG
(CHEMBL590979)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@](OCc2ccc3ccccc3c2)(O[C@H]1[C@H](O)[C@@H](O)CNC(=O)c1ccc(Cl)cc1)C([O-])=O |r|
Show InChI InChI=1S/C29H31ClN2O9/c1-16(33)32-24-22(34)13-29(28(38)39,40-15-17-6-7-18-4-2-3-5-20(18)12-17)41-26(24)25(36)23(35)14-31-27(37)19-8-10-21(30)11-9-19/h2-12,22-26,34-36H,13-15H2,1H3,(H,31,37)(H,32,33)(H,38,39)/p-1/t22-,23-,24+,25+,26+,29-/m0/s1
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n/an/an/a 1.16E+4n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells by SPR analysis

J Med Chem 53: 1597-615 (2010)


Article DOI: 10.1021/jm901517k
BindingDB Entry DOI: 10.7270/Q2V69KHM
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Mus musculus)		BDBM50378613
PNG
(CHEMBL598744)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@](OCc2cnn[nH]2)(O[C@H]1[C@H](O)[C@@H](O)CNC(=O)c1ccccc1)C([O-])=O |r|
Show InChI InChI=1S/C21H27N5O9/c1-11(27)24-16-14(28)7-21(20(32)33,34-10-13-8-23-26-25-13)35-18(16)17(30)15(29)9-22-19(31)12-5-3-2-4-6-12/h2-6,8,14-18,28-30H,7,9-10H2,1H3,(H,22,31)(H,24,27)(H,32,33)(H,23,25,26)/p-1/t14-,15-,16+,17+,18+,21-/m0/s1
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n/an/an/a 1.17E+4n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells by SPR analysis

J Med Chem 53: 1597-615 (2010)


Article DOI: 10.1021/jm901517k
BindingDB Entry DOI: 10.7270/Q2V69KHM
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Mus musculus)		BDBM50378599
PNG
(CHEMBL603912)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@](OCc2ccc(F)cc2)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)c1ccc(Cl)cc1)C([O-])=O |r|
Show InChI InChI=1S/C25H28ClFN2O9/c1-13(30)29-20-18(31)10-25(24(35)36,37-12-14-2-8-17(27)9-3-14)38-22(20)21(33)19(32)11-28-23(34)15-4-6-16(26)7-5-15/h2-9,18-22,31-33H,10-12H2,1H3,(H,28,34)(H,29,30)(H,35,36)/p-1/t18-,19+,20+,21+,22+,25-/m0/s1
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n/an/an/a 1.30E+4n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells by SPR analysis

J Med Chem 53: 1597-615 (2010)


Article DOI: 10.1021/jm901517k
BindingDB Entry DOI: 10.7270/Q2V69KHM
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Mus musculus)		BDBM50327098
PNG
(CHEMBL1254099 | sodium(2R,4S,5R,6R)-5-acetamido-6-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)c1ccccc1)C([O-])=O |r|
Show InChI InChI=1S/C25H30N2O9/c1-15(28)27-20-18(29)12-25(24(33)34,35-14-16-8-4-2-5-9-16)36-22(20)21(31)19(30)13-26-23(32)17-10-6-3-7-11-17/h2-11,18-22,29-31H,12-14H2,1H3,(H,26,32)(H,27,28)(H,33,34)/p-1/t18-,19+,20+,21+,22+,25+/m0/s1
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n/an/an/a 1.49E+4n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells under NaCl condition by CM5 chip SPR analysis

J Med Chem 53: 1597-615 (2010)


Article DOI: 10.1021/jm901517k
BindingDB Entry DOI: 10.7270/Q2V69KHM
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Mus musculus)		BDBM50378598
PNG
(CHEMBL600994)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@](OCc2ccc(Cl)cc2)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)c1ccc(Cl)cc1)C([O-])=O |r|
Show InChI InChI=1S/C25H28Cl2N2O9/c1-13(30)29-20-18(31)10-25(24(35)36,37-12-14-2-6-16(26)7-3-14)38-22(20)21(33)19(32)11-28-23(34)15-4-8-17(27)9-5-15/h2-9,18-22,31-33H,10-12H2,1H3,(H,28,34)(H,29,30)(H,35,36)/p-1/t18-,19+,20+,21+,22+,25-/m0/s1
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n/an/an/a 1.50E+4n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells by SPR analysis

J Med Chem 53: 1597-615 (2010)


Article DOI: 10.1021/jm901517k
BindingDB Entry DOI: 10.7270/Q2V69KHM
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Mus musculus)		BDBM50378606
PNG
(CHEMBL601720)
Show SMILES CS(=O)(=O)N[C@H]1[C@H](O)C[C@@](OCc2cccc(F)c2F)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)c1ccc(Cl)cc1)C([O-])=O |r,@@:1|
Show InChI InChI=1S/C24H27ClF2N2O10S/c1-40(36,37)29-19-16(30)9-24(23(34)35,38-11-13-3-2-4-15(26)18(13)27)39-21(19)20(32)17(31)10-28-22(33)12-5-7-14(25)8-6-12/h2-8,16-17,19-21,29-32H,9-11H2,1H3,(H,28,33)(H,34,35)/p-1/t16-,17-,19+,20-,21-,24-/m1/s1
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n/an/an/a 1.70E+4n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells by SPR analysis

J Med Chem 53: 1597-615 (2010)


Article DOI: 10.1021/jm901517k
BindingDB Entry DOI: 10.7270/Q2V69KHM
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Mus musculus)		BDBM50378597
PNG
(CHEMBL239255)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@](OCc2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)c1ccc(Cl)cc1)C([O-])=O |r|
Show InChI InChI=1S/C25H29ClN2O9/c1-14(29)28-20-18(30)11-25(24(34)35,36-13-15-5-3-2-4-6-15)37-22(20)21(32)19(31)12-27-23(33)16-7-9-17(26)10-8-16/h2-10,18-22,30-32H,11-13H2,1H3,(H,27,33)(H,28,29)(H,34,35)/p-1/t18-,19+,20+,21+,22+,25-/m0/s1
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n/an/an/a 1.70E+4n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells by SPR analysis

J Med Chem 53: 1597-615 (2010)


Article DOI: 10.1021/jm901517k
BindingDB Entry DOI: 10.7270/Q2V69KHM
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Mus musculus)		BDBM50327098
PNG
(CHEMBL1254099 | sodium(2R,4S,5R,6R)-5-acetamido-6-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)c1ccccc1)C([O-])=O |r|
Show InChI InChI=1S/C25H30N2O9/c1-15(28)27-20-18(29)12-25(24(33)34,35-14-16-8-4-2-5-9-16)36-22(20)21(31)19(30)13-26-23(32)17-10-6-3-7-11-17/h2-11,18-22,29-31H,12-14H2,1H3,(H,26,32)(H,27,28)(H,33,34)/p-1/t18-,19+,20+,21+,22+,25+/m0/s1
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n/an/an/a 1.76E+4n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells under HEPES condition by CM5 chip SPR analysis

J Med Chem 53: 1597-615 (2010)


Article DOI: 10.1021/jm901517k
BindingDB Entry DOI: 10.7270/Q2V69KHM
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Mus musculus)		BDBM50327098
PNG
(CHEMBL1254099 | sodium(2R,4S,5R,6R)-5-acetamido-6-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)c1ccccc1)C([O-])=O |r|
Show InChI InChI=1S/C25H30N2O9/c1-15(28)27-20-18(29)12-25(24(33)34,35-14-16-8-4-2-5-9-16)36-22(20)21(31)19(30)13-26-23(32)17-10-6-3-7-11-17/h2-11,18-22,29-31H,12-14H2,1H3,(H,26,32)(H,27,28)(H,33,34)/p-1/t18-,19+,20+,21+,22+,25+/m0/s1
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n/an/an/a 1.78E+4n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells under carboxymethyl-dextran sodium salt condition by CM5 chip SPR analysis

J Med Chem 53: 1597-615 (2010)


Article DOI: 10.1021/jm901517k
BindingDB Entry DOI: 10.7270/Q2V69KHM
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Mus musculus)		BDBM50378612
PNG
(CHEMBL394182)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@](OCc2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)c1ccc(Cl)c(Cl)c1)C([O-])=O |r|
Show InChI InChI=1S/C25H28Cl2N2O9/c1-13(30)29-20-18(31)10-25(24(35)36,37-12-14-5-3-2-4-6-14)38-22(20)21(33)19(32)11-28-23(34)15-7-8-16(26)17(27)9-15/h2-9,18-22,31-33H,10-12H2,1H3,(H,28,34)(H,29,30)(H,35,36)/p-1/t18-,19+,20+,21+,22+,25-/m0/s1
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n/an/an/a 1.92E+4n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells by SPR analysis

J Med Chem 53: 1597-615 (2010)


Article DOI: 10.1021/jm901517k
BindingDB Entry DOI: 10.7270/Q2V69KHM
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Mus musculus)		BDBM50327098
PNG
(CHEMBL1254099 | sodium(2R,4S,5R,6R)-5-acetamido-6-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)c1ccccc1)C([O-])=O |r|
Show InChI InChI=1S/C25H30N2O9/c1-15(28)27-20-18(29)12-25(24(33)34,35-14-16-8-4-2-5-9-16)36-22(20)21(31)19(30)13-26-23(32)17-10-6-3-7-11-17/h2-11,18-22,29-31H,12-14H2,1H3,(H,26,32)(H,27,28)(H,33,34)/p-1/t18-,19+,20+,21+,22+,25+/m0/s1
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n/an/an/a 2.00E+4n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells under HBS-EP condition by CM4 chip SPR analysis

J Med Chem 53: 1597-615 (2010)


Article DOI: 10.1021/jm901517k
BindingDB Entry DOI: 10.7270/Q2V69KHM
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Mus musculus)		BDBM50327098
PNG
(CHEMBL1254099 | sodium(2R,4S,5R,6R)-5-acetamido-6-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)c1ccccc1)C([O-])=O |r|
Show InChI InChI=1S/C25H30N2O9/c1-15(28)27-20-18(29)12-25(24(33)34,35-14-16-8-4-2-5-9-16)36-22(20)21(31)19(30)13-26-23(32)17-10-6-3-7-11-17/h2-11,18-22,29-31H,12-14H2,1H3,(H,26,32)(H,27,28)(H,33,34)/p-1/t18-,19+,20+,21+,22+,25+/m0/s1
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n/an/an/a 2.18E+4n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells under HBS-EP condition by CM5 chip SPR analysis

J Med Chem 53: 1597-615 (2010)


Article DOI: 10.1021/jm901517k
BindingDB Entry DOI: 10.7270/Q2V69KHM
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Mus musculus)		BDBM50327098
PNG
(CHEMBL1254099 | sodium(2R,4S,5R,6R)-5-acetamido-6-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)c1ccccc1)C([O-])=O |r|
Show InChI InChI=1S/C25H30N2O9/c1-15(28)27-20-18(29)12-25(24(33)34,35-14-16-8-4-2-5-9-16)36-22(20)21(31)19(30)13-26-23(32)17-10-6-3-7-11-17/h2-11,18-22,29-31H,12-14H2,1H3,(H,26,32)(H,27,28)(H,33,34)/p-1/t18-,19+,20+,21+,22+,25+/m0/s1
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n/an/an/a 2.60E+4n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to mouse MAGd1-3Fc domain expressed in CHO-Lec1 cells by surface plasmon resonance

Bioorg Med Chem 18: 7239-51 (2010)


Article DOI: 10.1016/j.bmc.2010.08.027
BindingDB Entry DOI: 10.7270/Q2CV4J0S
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Mus musculus)		BDBM50327098
PNG
(CHEMBL1254099 | sodium(2R,4S,5R,6R)-5-acetamido-6-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)c1ccccc1)C([O-])=O |r|
Show InChI InChI=1S/C25H30N2O9/c1-15(28)27-20-18(29)12-25(24(33)34,35-14-16-8-4-2-5-9-16)36-22(20)21(31)19(30)13-26-23(32)17-10-6-3-7-11-17/h2-11,18-22,29-31H,12-14H2,1H3,(H,26,32)(H,27,28)(H,33,34)/p-1/t18-,19+,20+,21+,22+,25+/m0/s1
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n/an/an/a 2.60E+4n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells by SPR analysis

J Med Chem 53: 1597-615 (2010)


Article DOI: 10.1021/jm901517k
BindingDB Entry DOI: 10.7270/Q2V69KHM
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Mus musculus)		BDBM50378614
PNG
(CHEMBL391051)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@](OCc2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)c1cccc(Cl)c1)C([O-])=O |r|
Show InChI InChI=1S/C25H29ClN2O9/c1-14(29)28-20-18(30)11-25(24(34)35,36-13-15-6-3-2-4-7-15)37-22(20)21(32)19(31)12-27-23(33)16-8-5-9-17(26)10-16/h2-10,18-22,30-32H,11-13H2,1H3,(H,27,33)(H,28,29)(H,34,35)/p-1/t18-,19+,20+,21+,22+,25-/m0/s1
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n/an/an/a 3.39E+4n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells by SPR analysis

J Med Chem 53: 1597-615 (2010)


Article DOI: 10.1021/jm901517k
BindingDB Entry DOI: 10.7270/Q2V69KHM
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Mus musculus)		BDBM50378596
PNG
(CHEMBL609756)
Show SMILES CO[C@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@@H](O)CNC(=O)c1ccccc1)C([O-])=O |r|
Show InChI InChI=1S/C19H26N2O9/c1-10(22)21-14-12(23)8-19(29-2,18(27)28)30-16(14)15(25)13(24)9-20-17(26)11-6-4-3-5-7-11/h3-7,12-16,23-25H,8-9H2,1-2H3,(H,20,26)(H,21,22)(H,27,28)/p-1/t12-,13-,14+,15+,16+,19-/m0/s1
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n/an/an/a 1.37E+5n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells by biocore

J Med Chem 53: 1597-615 (2010)


Article DOI: 10.1021/jm901517k
BindingDB Entry DOI: 10.7270/Q2V69KHM
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Mus musculus)		BDBM50378596
PNG
(CHEMBL609756)
Show SMILES CO[C@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@@H](O)CNC(=O)c1ccccc1)C([O-])=O |r|
Show InChI InChI=1S/C19H26N2O9/c1-10(22)21-14-12(23)8-19(29-2,18(27)28)30-16(14)15(25)13(24)9-20-17(26)11-6-4-3-5-7-11/h3-7,12-16,23-25H,8-9H2,1-2H3,(H,20,26)(H,21,22)(H,27,28)/p-1/t12-,13-,14+,15+,16+,19-/m0/s1
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n/an/an/a 1.37E+5n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells by SPR analysis

J Med Chem 53: 1597-615 (2010)


Article DOI: 10.1021/jm901517k
BindingDB Entry DOI: 10.7270/Q2V69KHM
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Mus musculus)		BDBM50327100
PNG
(CHEMBL1254194 | sodium(1R,3R,4R,5S)-5-acetamido-1-...)
Show SMILES CC(=O)N[C@H]1C[C@](C[C@@H](OCCNC(=O)c2ccc(Cl)cc2)[C@@H]1NC(=O)CF)(OCc1ccccc1)C([O-])=O |r|
Show InChI InChI=1S/C27H31ClFN3O7/c1-17(33)31-21-13-27(26(36)37,39-16-18-5-3-2-4-6-18)14-22(24(21)32-23(34)15-29)38-12-11-30-25(35)19-7-9-20(28)10-8-19/h2-10,21-22,24H,11-16H2,1H3,(H,30,35)(H,31,33)(H,32,34)(H,36,37)/p-1/t21-,22+,24+,27+/m0/s1
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n/an/an/a>8.00E+5n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to mouse MAGd1-3Fc domain expressed in CHO-Lec1 cells by surface plasmon resonance

Bioorg Med Chem 18: 7239-51 (2010)


Article DOI: 10.1016/j.bmc.2010.08.027
BindingDB Entry DOI: 10.7270/Q2CV4J0S
More data for this
Ligand-Target Pair