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Compile Data Set for Download or QSAR

Found 67 hits Enz. Inhib. hit(s) with Target = 'Myelin-associated glycoprotein'   
Target
(Institution)
LigandTarget
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
Myelin-associated glycoprotein


(Homo sapiens)
BDBM50354062
PNG
(CHEMBL1836190)
Show SMILES COC(=O)[C@@H](NC(C)=O)[C@@H](C)O[C@H]1O[C@H](CO[C@@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O2)[C@H](O)[C@H](O)CNC(=O)c2ccc(F)cc2)C([O-])=O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C([O-])=O)[C@H]2O)[C@H]1NC(C)=O
Show InChI InChI=1S/C50H74FN5O30/c1-17(30(44(73)78-6)53-18(2)59)80-45-33(56-21(5)62)39(83-46-38(71)42(36(69)28(15-58)81-46)86-50(48(76)77)12-25(64)32(55-20(4)61)41(85-50)35(68)27(66)14-57)37(70)29(82-45)16-79-49(47(74)75)11-24(63)31(54-19(3)60)40(84-49)34(67)26(65)13-52-43(72)22-7-9-23(51)10-8-22/h7-10,17,24-42,45-46,57-58,63-71H,11-16H2,1-6H3,(H,52,72)(H,53,59)(H,54,60)(H,55,61)(H,56,62)(H,74,75)(H,76,77)/p-2/t17-,24+,25+,26-,27-,28-,29-,30+,31-,32-,33-,34-,35-,36+,37+,38-,39-,40-,41-,42+,45+,46+,49-,50+/m1/s1
PDB

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n/an/a 9n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAG -Fc chimera expressed in CHO cells using NeuAc alpha2-3Galbeta1-4GlcNAc-R coupled biotinylated polyacrylamide after 30 mins by ELIS...


Bioorg Med Chem Lett 21: 5045-9 (2011)

More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Homo sapiens)
BDBM50354056
PNG
(CHEMBL1836336)
Show SMILES COC(=O)[C@@H](NC(C)=O)[C@@H](C)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CNC(=O)c3ccc(F)cc3)C([O-])=O)[C@H]2O)[C@H]1NC(C)=O
Show InChI InChI=1S/C39H57FN4O22/c1-14(24(35(57)60-5)42-15(2)47)61-36-26(44-17(4)49)31(28(53)22(12-45)62-36)64-37-30(55)33(29(54)23(13-46)63-37)66-39(38(58)59)10-20(50)25(43-16(3)48)32(65-39)27(52)21(51)11-41-34(56)18-6-8-19(40)9-7-18/h6-9,14,20-33,36-37,45-46,50-55H,10-13H2,1-5H3,(H,41,56)(H,42,47)(H,43,48)(H,44,49)(H,58,59)/p-1/t14-,20+,21-,22-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32-,33+,36+,37+,39+/m1/s1
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n/an/a 79n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAG -Fc chimera expressed in CHO cells using NeuAc alpha2-3Galbeta1-4GlcNAc-R coupled biotinylated polyacrylamide after 30 mins by ELIS...


Bioorg Med Chem Lett 21: 5045-9 (2011)

More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Homo sapiens)
BDBM50354061
PNG
(CHEMBL1836340)
Show SMILES COC(=O)[C@@H](NC(C)=O)[C@@H](C)O[C@H]1O[C@H](CO[C@@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O2)[C@H](O)[C@H](O)CO)C([O-])=O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CNC(=O)c3ccc(F)cc3)C([O-])=O)[C@H]2O)[C@H]1NC(C)=O
Show InChI InChI=1S/C50H74FN5O30/c1-17(30(44(73)78-6)53-18(2)59)80-45-33(56-21(5)62)39(37(70)29(82-45)16-79-49(47(74)75)11-24(63)31(54-19(3)60)41(84-49)35(68)27(66)14-57)83-46-38(71)42(36(69)28(15-58)81-46)86-50(48(76)77)12-25(64)32(55-20(4)61)40(85-50)34(67)26(65)13-52-43(72)22-7-9-23(51)10-8-22/h7-10,17,24-42,45-46,57-58,63-71H,11-16H2,1-6H3,(H,52,72)(H,53,59)(H,54,60)(H,55,61)(H,56,62)(H,74,75)(H,76,77)/p-2/t17-,24+,25+,26-,27-,28-,29-,30+,31-,32-,33-,34-,35-,36+,37+,38-,39-,40-,41-,42+,45+,46+,49-,50+/m1/s1
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n/an/a 300n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAG -Fc chimera expressed in CHO cells using NeuAc alpha2-3Galbeta1-4GlcNAc-R coupled biotinylated polyacrylamide after 30 mins by ELIS...


Bioorg Med Chem Lett 21: 5045-9 (2011)

More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Homo sapiens)
BDBM50354049
PNG
(CHEMBL1836306)
Show SMILES C[C@@H](O[C@H]1O[C@H](CO[C@@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O2)[C@H](O)[C@H](O)CO)C([O-])=O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C([O-])=O)[C@H]2O)[C@H]1NC(C)=O)[C@H](N)C(O)=O
Show InChI InChI=1S/C40H66N4O29/c1-11(21(41)34(60)61)67-35-24(44-14(4)50)30(28(58)20(69-35)10-66-39(37(62)63)5-15(51)22(42-12(2)48)31(71-39)25(55)17(53)7-45)70-36-29(59)33(27(57)19(9-47)68-36)73-40(38(64)65)6-16(52)23(43-13(3)49)32(72-40)26(56)18(54)8-46/h11,15-33,35-36,45-47,51-59H,5-10,41H2,1-4H3,(H,42,48)(H,43,49)(H,44,50)(H,60,61)(H,62,63)(H,64,65)/p-2/t11-,15+,16+,17-,18-,19-,20-,21+,22-,23-,24-,25-,26-,27+,28+,29-,30-,31-,32-,33+,35+,36+,39-,40+/m1/s1
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n/an/a 300n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAG


Bioorg Med Chem Lett 21: 5045-9 (2011)

More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Homo sapiens)
BDBM50354055
PNG
(CHEMBL1836335)
Show SMILES COC(=O)[C@@H](NC(C)=O)[C@@H](C)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CNC(=O)c3ccc(Cl)cc3)C([O-])=O)[C@H]2O)[C@H]1NC(C)=O
Show InChI InChI=1S/C39H57ClN4O22/c1-14(24(35(57)60-5)42-15(2)47)61-36-26(44-17(4)49)31(28(53)22(12-45)62-36)64-37-30(55)33(29(54)23(13-46)63-37)66-39(38(58)59)10-20(50)25(43-16(3)48)32(65-39)27(52)21(51)11-41-34(56)18-6-8-19(40)9-7-18/h6-9,14,20-33,36-37,45-46,50-55H,10-13H2,1-5H3,(H,41,56)(H,42,47)(H,43,48)(H,44,49)(H,58,59)/p-1/t14-,20+,21-,22-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32-,33+,36+,37+,39+/m1/s1
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n/an/a 610n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAG -Fc chimera expressed in CHO cells using NeuAc alpha2-3Galbeta1-4GlcNAc-R coupled biotinylated polyacrylamide after 30 mins by ELIS...


Bioorg Med Chem Lett 21: 5045-9 (2011)

More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Homo sapiens)
BDBM50354058
PNG
(CHEMBL1836337)
Show SMILES COC(=O)[C@@H](NC(C)=O)[C@@H](C)O[C@H]1O[C@H](CO[C@@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O2)[C@H](O)[C@H](O)CNC(=O)c2ccc(Cl)cc2)C([O-])=O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1NC(C)=O
Show InChI InChI=1S/C39H57ClN4O22/c1-14(24(35(57)60-5)42-15(2)46)62-36-26(44-17(4)48)32(65-37-31(55)30(54)28(52)22(12-45)63-37)29(53)23(64-36)13-61-39(38(58)59)10-20(49)25(43-16(3)47)33(66-39)27(51)21(50)11-41-34(56)18-6-8-19(40)9-7-18/h6-9,14,20-33,36-37,45,49-55H,10-13H2,1-5H3,(H,41,56)(H,42,46)(H,43,47)(H,44,48)(H,58,59)/p-1/t14-,20+,21-,22-,23-,24+,25-,26-,27-,28+,29+,30+,31-,32-,33-,36+,37+,39-/m1/s1
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n/an/a 640n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAG -Fc chimera expressed in CHO cells using NeuAc alpha2-3Galbeta1-4GlcNAc-R coupled biotinylated polyacrylamide after 30 mins by ELIS...


Bioorg Med Chem Lett 21: 5045-9 (2011)

More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Homo sapiens)
BDBM50354054
PNG
(CHEMBL1836334)
Show SMILES COC(=O)[C@@H](NC(C)=O)[C@@H](C)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CNC(=O)c3ccccc3)C([O-])=O)[C@H]2O)[C@H]1NC(C)=O
Show InChI InChI=1S/C39H58N4O22/c1-15(24(35(56)59-5)41-16(2)46)60-36-26(43-18(4)48)31(28(52)22(13-44)61-36)63-37-30(54)33(29(53)23(14-45)62-37)65-39(38(57)58)11-20(49)25(42-17(3)47)32(64-39)27(51)21(50)12-40-34(55)19-9-7-6-8-10-19/h6-10,15,20-33,36-37,44-45,49-54H,11-14H2,1-5H3,(H,40,55)(H,41,46)(H,42,47)(H,43,48)(H,57,58)/p-1/t15-,20+,21-,22-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32-,33+,36+,37+,39+/m1/s1
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n/an/a 650n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAG -Fc chimera expressed in CHO cells using NeuAc alpha2-3Galbeta1-4GlcNAc-R coupled biotinylated polyacrylamide after 30 mins by ELIS...


Bioorg Med Chem Lett 21: 5045-9 (2011)

More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Homo sapiens)
BDBM50354060
PNG
(CHEMBL1836339)
Show SMILES COC(=O)[C@@H](NC(C)=O)[C@@H](C)O[C@H]1O[C@H](CO[C@@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O2)[C@H](O)[C@H](O)CO)C([O-])=O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C([O-])=O)[C@H]2O)[C@H]1NC(C)=O
Show InChI InChI=1S/C43H70N4O30/c1-13(24(37(64)69-6)44-14(2)51)71-38-27(47-17(5)54)33(31(62)23(73-38)12-70-42(40(65)66)7-18(55)25(45-15(3)52)34(75-42)28(59)20(57)9-48)74-39-32(63)36(30(61)22(11-50)72-39)77-43(41(67)68)8-19(56)26(46-16(4)53)35(76-43)29(60)21(58)10-49/h13,18-36,38-39,48-50,55-63H,7-12H2,1-6H3,(H,44,51)(H,45,52)(H,46,53)(H,47,54)(H,65,66)(H,67,68)/p-2/t13-,18+,19+,20-,21-,22-,23-,24+,25-,26-,27-,28-,29-,30+,31+,32-,33-,34-,35-,36+,38+,39+,42-,43+/m1/s1
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n/an/a 750n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAG -Fc chimera expressed in CHO cells using NeuAc alpha2-3Galbeta1-4GlcNAc-R coupled biotinylated polyacrylamide after 30 mins by ELIS...


Bioorg Med Chem Lett 21: 5045-9 (2011)

More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Homo sapiens)
BDBM50354059
PNG
(CHEMBL1836338)
Show SMILES COC(=O)[C@@H](NC(C)=O)[C@@H](C)O[C@H]1O[C@H](CO[C@@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O2)[C@H](O)[C@H](O)CNC(=O)c2ccc(F)cc2)C([O-])=O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1NC(C)=O
Show InChI InChI=1S/C39H57FN4O22/c1-14(24(35(57)60-5)42-15(2)46)62-36-26(44-17(4)48)32(65-37-31(55)30(54)28(52)22(12-45)63-37)29(53)23(64-36)13-61-39(38(58)59)10-20(49)25(43-16(3)47)33(66-39)27(51)21(50)11-41-34(56)18-6-8-19(40)9-7-18/h6-9,14,20-33,36-37,45,49-55H,10-13H2,1-5H3,(H,41,56)(H,42,46)(H,43,47)(H,44,48)(H,58,59)/p-1/t14-,20+,21-,22-,23-,24+,25-,26-,27-,28+,29+,30+,31-,32-,33-,36+,37+,39-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAG -Fc chimera expressed in CHO cells using NeuAc alpha2-3Galbeta1-4GlcNAc-R coupled biotinylated polyacrylamide after 30 mins by ELIS...


Bioorg Med Chem Lett 21: 5045-9 (2011)

More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Homo sapiens)
BDBM50354050
PNG
(CHEMBL1836310)
Show SMILES C[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C([O-])=O)[C@H]2O)[C@H]1NC(C)=O)[C@H](N)C(O)=O
Show InChI InChI=1S/C29H49N3O21/c1-8(15(30)25(44)45)48-26-17(32-10(3)37)22(19(41)13(6-34)49-26)51-27-21(43)24(20(42)14(7-35)50-27)53-29(28(46)47)4-11(38)16(31-9(2)36)23(52-29)18(40)12(39)5-33/h8,11-24,26-27,33-35,38-43H,4-7,30H2,1-3H3,(H,31,36)(H,32,37)(H,44,45)(H,46,47)/p-1/t8-,11+,12-,13-,14-,15+,16-,17-,18-,19+,20+,21-,22-,23-,24+,26+,27+,29+/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAG


Bioorg Med Chem Lett 21: 5045-9 (2011)

More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Homo sapiens)
BDBM50354053
PNG
(CHEMBL1836313)
Show SMILES COC(=O)[C@@H](NC(C)=O)[C@@H](C)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C([O-])=O)[C@H]2O)[C@H]1NC(C)=O
Show InChI InChI=1S/C32H53N3O22/c1-10(18(28(48)51-5)33-11(2)39)52-29-20(35-13(4)41)25(22(45)16(8-37)53-29)55-30-24(47)27(23(46)17(9-38)54-30)57-32(31(49)50)6-14(42)19(34-12(3)40)26(56-32)21(44)15(43)7-36/h10,14-27,29-30,36-38,42-47H,6-9H2,1-5H3,(H,33,39)(H,34,40)(H,35,41)(H,49,50)/p-1/t10-,14+,15-,16-,17-,18+,19-,20-,21-,22+,23+,24-,25-,26-,27+,29+,30+,32+/m1/s1
PDB

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n/an/a 1.20E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAG -Fc chimera expressed in CHO cells using NeuAc alpha2-3Galbeta1-4GlcNAc-R coupled biotinylated polyacrylamide after 30 mins by ELIS...


Bioorg Med Chem Lett 21: 5045-9 (2011)

More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Homo sapiens)
BDBM50354057
PNG
(CHEMBL1833997)
Show SMILES COC(=O)[C@@H](NC(C)=O)[C@@H](C)O[C@H]1O[C@H](CO[C@@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O2)[C@H](O)[C@H](O)CO)C([O-])=O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1NC(C)=O
Show InChI InChI=1S/C32H53N3O22/c1-10(18(28(48)51-5)33-11(2)38)53-29-20(35-13(4)40)26(56-30-25(47)24(46)22(44)16(8-37)54-30)23(45)17(55-29)9-52-32(31(49)50)6-14(41)19(34-12(3)39)27(57-32)21(43)15(42)7-36/h10,14-27,29-30,36-37,41-47H,6-9H2,1-5H3,(H,33,38)(H,34,39)(H,35,40)(H,49,50)/p-1/t10-,14+,15-,16-,17-,18+,19-,20-,21-,22+,23+,24+,25-,26-,27-,29+,30+,32-/m1/s1
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n/an/a 7.90E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAG -Fc chimera expressed in CHO cells using NeuAc alpha2-3Galbeta1-4GlcNAc-R coupled biotinylated polyacrylamide after 30 mins by ELIS...


Bioorg Med Chem Lett 21: 5045-9 (2011)

More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Homo sapiens)
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
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 9.27E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Homo sapiens)
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
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 1.66E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Homo sapiens)
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
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 3.74E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Homo sapiens)
BDBM50354051
PNG
(CHEMBL1836309)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@H](OCc4ccccc4)[C@@H]3NC(C)=O)[C@@H]2O)(O[C@H]1[C@H](O)[C@H](O)CO)C([O-])=O
Show InChI InChI=1S/C32H48N2O19/c1-13(38)33-20-16(40)8-32(31(46)47,52-27(20)22(42)17(41)9-35)53-28-24(44)19(11-37)50-30(25(28)45)51-26-21(34-14(2)39)29(49-18(10-36)23(26)43)48-12-15-6-4-3-5-7-15/h3-7,16-30,35-37,40-45H,8-12H2,1-2H3,(H,33,38)(H,34,39)(H,46,47)/p-1/t16-,17+,18+,19+,20+,21+,22+,23-,24-,25+,26+,27+,28-,29-,30-,32-/m0/s1
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n/an/a 5.20E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAG


Bioorg Med Chem Lett 21: 5045-9 (2011)

More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Homo sapiens)
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
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 1.36E+5n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Homo sapiens)
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
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 1.64E+5n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Homo sapiens)
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
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 1.71E+5n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Homo sapiens)
BDBM50354052
PNG
(CHEMBL1836308)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](Sc4ccc(C)cc4)[C@@H]3NC(C)=O)[C@@H]2O)(O[C@H]1[C@H](O)[C@H](O)CO)C([O-])=O
Show InChI InChI=1S/C32H48N2O18S/c1-12-4-6-15(7-5-12)53-30-21(34-14(3)39)26(23(43)19(11-37)49-30)50-29-25(45)28(24(44)18(10-36)48-29)52-32(31(46)47)8-16(40)20(33-13(2)38)27(51-32)22(42)17(41)9-35/h4-7,16-30,35-37,40-45H,8-11H2,1-3H3,(H,33,38)(H,34,39)(H,46,47)/p-1/t16-,17+,18+,19+,20+,21+,22+,23-,24-,25+,26+,27+,28-,29-,30-,32-/m0/s1
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n/an/a 2.72E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAG


Bioorg Med Chem Lett 21: 5045-9 (2011)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Homo sapiens)
BDBM50292878
PNG
((Sodium 5-Acetamido-9-(4-chlorobenzamido)-3,5,9-tr...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]3CCO[C@H](COc4ccc(cc4)-c4ccccc4)[C@@H]3O)[C@@H]2O)(O[C@H]1[C@@H](O)[C@H](O)CNC(=O)c1ccc(Cl)cc1)C([O-])=O
Show InChI InChI=1S/C42H51ClN2O17/c1-21(47)45-32-27(48)17-42(41(55)56,61-37(32)33(50)28(49)18-44-39(54)24-7-11-25(43)12-8-24)62-38-35(52)30(19-46)60-40(36(38)53)59-29-15-16-57-31(34(29)51)20-58-26-13-9-23(10-14-26)22-5-3-2-4-6-22/h2-14,27-38,40,46,48-53H,15-20H2,1H3,(H,44,54)(H,45,47)(H,55,56)/p-1/t27-,28+,29+,30+,31+,32+,33-,34+,35-,36+,37+,38-,40+,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 human IgG Fc-domain tagged MAG N-terminal domain expressed in CHO cells by surface plasmon resonance


J Med Chem 52: 989-1004 (2009)

More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Homo sapiens)
BDBM50292879
PNG
((Sodium 5-Acetamido-9-benzamido-3,5,9-trideoxy-D-g...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]3CCO[C@H](COc4ccc(cc4)-c4ccccc4)[C@@H]3O)[C@@H]2O)(O[C@H]1[C@@H](O)[C@H](O)CNC(=O)c1ccccc1)C([O-])=O
Show InChI InChI=1S/C42H52N2O17/c1-22(46)44-32-27(47)18-42(41(54)55,60-37(32)33(49)28(48)19-43-39(53)25-10-6-3-7-11-25)61-38-35(51)30(20-45)59-40(36(38)52)58-29-16-17-56-31(34(29)50)21-57-26-14-12-24(13-15-26)23-8-4-2-5-9-23/h2-15,27-38,40,45,47-52H,16-21H2,1H3,(H,43,53)(H,44,46)(H,54,55)/p-1/t27-,28+,29+,30+,31+,32+,33-,34+,35-,36+,37+,38-,40+,42-/m0/s1
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n/an/an/a 5.00E+3n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to human IgG Fc-domain tagged MAG N-terminal domain expressed in CHO cells by surface plasmon resonance


J Med Chem 52: 989-1004 (2009)

More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Homo sapiens)
BDBM50292880
PNG
(2-(Trimethylsilyl)ethyl (Sodium 5-Acetamido-9-benz...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](OCC[Si](C)(C)C)[C@@H]3O)[C@@H]2O)(O[C@H]1[C@@H](O)[C@H](O)CNC(=O)c1ccccc1)C([O-])=O
Show InChI InChI=1S/C35H56N2O19Si/c1-16(40)37-22-18(41)12-35(34(49)50,55-28(22)23(43)19(42)13-36-31(48)17-8-6-5-7-9-17)56-30-25(45)21(15-39)53-33(27(30)47)54-29-24(44)20(14-38)52-32(26(29)46)51-10-11-57(2,3)4/h5-9,18-30,32-33,38-39,41-47H,10-15H2,1-4H3,(H,36,48)(H,37,40)(H,49,50)/p-1/t18-,19+,20+,21+,22+,23-,24-,25-,26+,27+,28+,29-,30-,32+,33-,35-/m0/s1
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n/an/an/a 3.26E+4n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to human IgG Fc-domain tagged MAG N-terminal domain expressed in CHO cells by surface plasmon resonance


J Med Chem 52: 989-1004 (2009)

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
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)

More data for this
Ligand-Target Pair
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