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Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with Target = 'Myelin-associated glycoprotein' AND taxid = 9606   
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
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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...


Citation and Details
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...


Citation and Details
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


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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
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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...


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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/an/a 480n/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to wild type MAG at 400 uM by Isothermal titration calorimetry


Citation and Details
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/an/a 1.20E+3n/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to wild type MAG at 400 uM by Isothermal titration calorimetry


Citation and Details
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/an/a 1.76E+3n/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to wild type MAG at 400 uM by Isothermal titration calorimetry


Citation and Details
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/an/a 1.00E+3n/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to wild type MAG at 400 uM by Isothermal titration calorimetry


Citation and Details
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/an/a 1.30E+4n/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to wild type MAG at 400 uM by Isothermal titration calorimetry


Citation and Details
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/an/a 130n/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to wild type MAG at 400 uM by Isothermal titration calorimetry


Citation and Details
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/an/a 1.00E+3n/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to wild type MAG at 400 uM by Isothermal titration calorimetry


Citation and Details
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/an/a 1.00E+3n/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to wild type MAG at 400 uM by Isothermal titration calorimetry


Citation and Details
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
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n/an/an/a 1.90E+3n/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to wild type MAG at 400 uM by Isothermal titration calorimetry


Citation and Details
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Homo sapiens)
BDBM50354048
PNG
(CHEMBL1836307)
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]3NC(C)=O)[C@@H]2O)(O[C@H]1[C@H](O)[C@H](O)CO)C([O-])=O
Show InChI InChI=1S/C30H54N2O19Si/c1-12(36)31-18-14(38)8-30(29(44)45,50-25(18)20(40)15(39)9-33)51-26-22(42)17(11-35)48-28(23(26)43)49-24-19(32-13(2)37)27(46-6-7-52(3,4)5)47-16(10-34)21(24)41/h14-28,33-35,38-43H,6-11H2,1-5H3,(H,31,36)(H,32,37)(H,44,45)/p-1/t14-,15+,16+,17+,18+,19+,20+,21-,22-,23+,24+,25+,26-,27+,28-,30-/m0/s1
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n/an/an/a 1.80E+5n/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MAG


Citation and Details
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Homo sapiens)
BDBM50354047
PNG
(CHEMBL1836311)
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 3.20E+4n/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MAG


Citation and Details
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Homo sapiens)
BDBM50354046
PNG
(CHEMBL1836312)
Show SMILES O[C@H](CNC(=O)c1ccccc1)[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/C25H27F3N2O9/c26-10-18(33)30-20-16(31)9-25(24(36)37,38-12-14-7-4-8-15(27)19(14)28)39-22(20)21(34)17(32)11-29-23(35)13-5-2-1-3-6-13/h1-8,16-17,20-22,31-32,34H,9-12H2,(H,29,35)(H,30,33)(H,36,37)/p-1/t16-,17+,20+,21+,22+,25+/m0/s1
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n/an/an/a 500n/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MAG


Citation and Details
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Homo sapiens)
BDBM50354045
PNG
(CHEMBL1836305)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@@](OC[C@H]2O[C@@H](OCC[Si](C)(C)C)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@]4(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O4)[C@H](O)[C@H](O)CO)C([O-])=O)[C@H]3O)[C@H]2O)(O[C@H]1[C@H](O)[C@H](O)CO)C([O-])=O
Show InChI InChI=1S/C41H71N3O27Si/c1-15(48)42-24-18(51)9-40(38(60)61,69-33(24)27(55)20(53)11-45)65-14-23-30(58)32(26(44-17(3)50)36(67-23)64-7-8-72(4,5)6)68-37-31(59)35(29(57)22(13-47)66-37)71-41(39(62)63)10-19(52)25(43-16(2)49)34(70-41)28(56)21(54)12-46/h18-37,45-47,51-59H,7-14H2,1-6H3,(H,42,48)(H,43,49)(H,44,50)(H,60,61)(H,62,63)/p-2/t18-,19-,20+,21+,22+,23+,24+,25+,26+,27+,28+,29-,30-,31+,32+,33+,34+,35-,36+,37-,40+,41-/m0/s1
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n/an/an/a 1.80E+5n/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MAG


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
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
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n/an/an/a 15n/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to wild type MAG at 400 uM by Isothermal titration calorimetry


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair