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Compile Data Set for Download or QSAR

Found 105 hits of ic50 for UniProtKB: P04229   
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
MHC class II antigen


(Homo sapiens (Human))		BDBM50326697
PNG
((3S,6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S)-18-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CN1C(=O)c2ccc(cc2C1=O)N(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(O)=O |r|
Show InChI InChI=1S/C82H131N21O22/c1-41(2)35-57(72(114)89-44(7)67(109)100-66(46(9)105)82(124)125)94-69(111)53(19-12-15-31-83)90-73(115)58(36-42(3)4)97-78(120)65(45(8)104)99-75(117)60(39-63(88)108)96-71(113)56(29-30-62(87)107)91-68(110)55(21-14-17-33-85)93-77(119)64(43(5)6)98-74(116)59(37-47-23-26-49(106)27-24-47)95-70(112)54(20-13-16-32-84)92-76(118)61-22-18-34-102(61)81(123)52(86)40-103-79(121)50-28-25-48(101(10)11)38-51(50)80(103)122/h23-28,38,41-46,52-61,64-66,104-106H,12-22,29-37,39-40,83-86H2,1-11H3,(H2,87,107)(H2,88,108)(H,89,114)(H,90,115)(H,91,110)(H,92,118)(H,93,119)(H,94,111)(H,95,112)(H,96,113)(H,97,120)(H,98,116)(H,99,117)(H,100,109)(H,124,125)/t44-,45+,46+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-,66-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Displacement of biotin-HA from recombinant soluble HLA-DR1 expressed in human T2 cells by ELISA

Nat Chem Biol 3: 222-8 (2007)


Article DOI: 10.1038/nchembio868
BindingDB Entry DOI: 10.7270/Q2HT2PJR
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50079824
PNG
(((S)-1-{(S)-1-[(S)-(S)-1-(1-Carbamoyl-3-methyl-but...)
Show SMILES CCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C29H48N8O6/c1-5-11-20(25(39)36-22(24(30)38)16-18(3)4)34-26(40)21(14-10-15-33-28(31)32)35-27(41)23(37-29(42)43-6-2)17-19-12-8-7-9-13-19/h7-9,12-13,18,20-23H,5-6,10-11,14-17H2,1-4H3,(H2,30,38)(H,34,40)(H,35,41)(H,36,39)(H,37,42)(H4,31,32,33)/t20-,21-,22-,23-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II MHC for ...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289286
PNG
(((R)-1-{(S)-1-[(S)-1-((S)-1-Carbamoyl-3-methyl-but...)
Show SMILES CCOC(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C26H47N5O6/c1-7-37-26(36)30-20(14-18-11-9-8-10-12-18)24(34)31-21(16(4)5)25(35)28-17(6)23(33)29-19(22(27)32)13-15(2)3/h15-21H,7-14H2,1-6H3,(H2,27,32)(H,28,35)(H,29,33)(H,30,36)(H,31,34)/t17-,19-,20+,21-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II MHC for ...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50326699
PNG
((2S,5S,8S,11S,14S,17S,20S,23S,26S)-2-amino-1-(5-(d...)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#7]-1-[#6](=O)-c2ccc(cc2-[#6]-1=O)-[#7](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C45H72N14O13S/c1-21(2)17-32(44(71)72)56-37(64)25(6)52-35(62)23(4)50-34(61)22(3)51-36(63)24(5)53-39(66)31(14-16-73-9)55-41(68)33(20-60)57-40(67)30(11-10-15-49-45(47)48)54-38(65)29(46)19-59-42(69)27-13-12-26(58(7)8)18-28(27)43(59)70/h12-13,18,21-25,29-33,60H,10-11,14-17,19-20,46H2,1-9H3,(H,50,61)(H,51,63)(H,52,62)(H,53,66)(H,54,65)(H,55,68)(H,56,64)(H,57,67)(H,71,72)(H4,47,48,49)/t22-,23-,24-,25-,29-,30-,31-,32-,33-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Displacement of biotin-HA from recombinant soluble HLA-DR1 expressed in human T2 cells by ELISA

Nat Chem Biol 3: 222-8 (2007)


Article DOI: 10.1038/nchembio868
BindingDB Entry DOI: 10.7270/Q2HT2PJR
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50287632
PNG
(CHEMBL1253325 | PKYVKQNTLKLAT (HA306-318 peptide))
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(O)=O |r|
Show InChI InChI=1S/C69H118N18O19/c1-35(2)31-48(63(99)76-38(7)57(93)87-56(40(9)89)69(105)106)81-60(96)45(18-11-14-28-71)78-64(100)49(32-36(3)4)84-68(104)55(39(8)88)86-66(102)51(34-53(74)92)83-62(98)47(25-26-52(73)91)79-59(95)46(19-12-15-29-72)80-67(103)54(37(5)6)85-65(101)50(33-41-21-23-42(90)24-22-41)82-61(97)44(17-10-13-27-70)77-58(94)43-20-16-30-75-43/h21-24,35-40,43-51,54-56,75,88-90H,10-20,25-34,70-72H2,1-9H3,(H2,73,91)(H2,74,92)(H,76,99)(H,77,94)(H,78,100)(H,79,95)(H,80,103)(H,81,96)(H,82,97)(H,83,98)(H,84,104)(H,85,101)(H,86,102)(H,87,93)(H,105,106)/t38-,39+,40+,43-,44-,45-,46-,47-,48-,49-,50-,51-,54-,55-,56-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Displacement of biotin-HA from recombinant soluble HLA-DR1 expressed in human T2 cells by ELISA

Nat Chem Biol 3: 222-8 (2007)


Article DOI: 10.1038/nchembio868
BindingDB Entry DOI: 10.7270/Q2HT2PJR
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50326699
PNG
((2S,5S,8S,11S,14S,17S,20S,23S,26S)-2-amino-1-(5-(d...)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#7]-1-[#6](=O)-c2ccc(cc2-[#6]-1=O)-[#7](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C45H72N14O13S/c1-21(2)17-32(44(71)72)56-37(64)25(6)52-35(62)23(4)50-34(61)22(3)51-36(63)24(5)53-39(66)31(14-16-73-9)55-41(68)33(20-60)57-40(67)30(11-10-15-49-45(47)48)54-38(65)29(46)19-59-42(69)27-13-12-26(58(7)8)18-28(27)43(59)70/h12-13,18,21-25,29-33,60H,10-11,14-17,19-20,46H2,1-9H3,(H,50,61)(H,51,63)(H,52,62)(H,53,66)(H,54,65)(H,55,68)(H,56,64)(H,57,67)(H,71,72)(H4,47,48,49)/t22-,23-,24-,25-,29-,30-,31-,32-,33-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Displacement of biotin-HA from recombinant soluble HLA-DR1 expressed in human T2 cells at acidic pH by ELISA

Nat Chem Biol 3: 222-8 (2007)


Article DOI: 10.1038/nchembio868
BindingDB Entry DOI: 10.7270/Q2HT2PJR
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289247
PNG
((S)-2-((S)-3-Carbamoyl-2-{(S)-2-[((R)-2-ethoxycarb...)
Show SMILES CCOC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C32H46N8O8/c1-5-48-32(47)38-23(16-19-12-13-20-9-6-7-10-21(20)15-19)29(44)40(4)24(11-8-14-36-31(34)35)28(43)37-22(17-25(33)41)27(42)39-26(18(2)3)30(45)46/h6-7,9-10,12-13,15,18,22-24,26H,5,8,11,14,16-17H2,1-4H3,(H2,33,41)(H,37,43)(H,38,47)(H,39,42)(H,45,46)(H4,34,35,36)/t22-,23+,24-,26-/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289278
PNG
((S)-2-[(S)-3-Carbamoyl-2-((S)-2-{[(R)-2-ethoxycarb...)
Show SMILES CCOC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C28H44N8O9/c1-5-45-28(44)34-19(13-16-8-10-17(37)11-9-16)25(41)36(4)20(7-6-12-32-27(30)31)24(40)33-18(14-21(29)38)23(39)35-22(15(2)3)26(42)43/h8-11,15,18-20,22,37H,5-7,12-14H2,1-4H3,(H2,29,38)(H,33,40)(H,34,44)(H,35,39)(H,42,43)(H4,30,31,32)/t18-,19+,20-,22-/m0/s1
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n/an/a 6.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289286
PNG
(((R)-1-{(S)-1-[(S)-1-((S)-1-Carbamoyl-3-methyl-but...)
Show SMILES CCOC(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C26H47N5O6/c1-7-37-26(36)30-20(14-18-11-9-8-10-12-18)24(34)31-21(16(4)5)25(35)28-17(6)23(33)29-19(22(27)32)13-15(2)3/h15-21H,7-14H2,1-6H3,(H2,27,32)(H,28,35)(H,29,33)(H,30,36)(H,31,34)/t17-,19-,20+,21-/m0/s1
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n/an/a 9.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II MHC for ...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50326698
PNG
((6S,9S,12S,15S,18S,21S,24S,27S)-1-amino-6-((S)-2-a...)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#7]-1-[#6](=O)-c2cc3ccc(cc3cc2-[#6]-1=O)-[#7](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C49H74N14O13S/c1-23(2)17-36(48(75)76)60-41(68)27(6)56-39(66)25(4)54-38(65)24(3)55-40(67)26(5)57-43(70)35(14-16-77-9)59-45(72)37(22-64)61-44(71)34(11-10-15-53-49(51)52)58-42(69)33(50)21-63-46(73)31-19-28-12-13-30(62(7)8)18-29(28)20-32(31)47(63)74/h12-13,18-20,23-27,33-37,64H,10-11,14-17,21-22,50H2,1-9H3,(H,54,65)(H,55,67)(H,56,66)(H,57,70)(H,58,69)(H,59,72)(H,60,68)(H,61,71)(H,75,76)(H4,51,52,53)/t24-,25-,26-,27-,33-,34-,35-,36-,37-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Displacement of biotin-HA from recombinant soluble HLA-DR1 expressed in human T2 cells at acidic pH by ELISA

Nat Chem Biol 3: 222-8 (2007)


Article DOI: 10.1038/nchembio868
BindingDB Entry DOI: 10.7270/Q2HT2PJR
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50326698
PNG
((6S,9S,12S,15S,18S,21S,24S,27S)-1-amino-6-((S)-2-a...)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#7]-1-[#6](=O)-c2cc3ccc(cc3cc2-[#6]-1=O)-[#7](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C49H74N14O13S/c1-23(2)17-36(48(75)76)60-41(68)27(6)56-39(66)25(4)54-38(65)24(3)55-40(67)26(5)57-43(70)35(14-16-77-9)59-45(72)37(22-64)61-44(71)34(11-10-15-53-49(51)52)58-42(69)33(50)21-63-46(73)31-19-28-12-13-30(62(7)8)18-29(28)20-32(31)47(63)74/h12-13,18-20,23-27,33-37,64H,10-11,14-17,21-22,50H2,1-9H3,(H,54,65)(H,55,67)(H,56,66)(H,57,70)(H,58,69)(H,59,72)(H,60,68)(H,61,71)(H,75,76)(H4,51,52,53)/t24-,25-,26-,27-,33-,34-,35-,36-,37-/m0/s1
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n/an/a 11.5n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Displacement of biotin-HA from recombinant soluble HLA-DR1 expressed in human T2 cells by ELISA

Nat Chem Biol 3: 222-8 (2007)


Article DOI: 10.1038/nchembio868
BindingDB Entry DOI: 10.7270/Q2HT2PJR
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289276
PNG
((1-{2-Methyl-1-[1-(2-oxo-azepan-3-ylcarbamoyl)-eth...)
Show SMILES CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H]1CCCCNC1=O
Show InChI InChI=1S/C26H39N5O6/c1-5-37-26(36)30-20(15-18-11-7-6-8-12-18)24(34)31-21(16(2)3)25(35)28-17(4)22(32)29-19-13-9-10-14-27-23(19)33/h6-8,11-12,16-17,19-21H,5,9-10,13-15H2,1-4H3,(H,27,33)(H,28,35)(H,29,32)(H,30,36)(H,31,34)/t17-,19-,20-,21-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50464582
PNG
(CHEMBL4284706)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCCCCN)C(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C82H135N23O22/c1-12-45(10)65(76(121)99-64(44(8)9)75(120)101-66(46(11)106)80(125)104-33-19-23-55(104)70(115)92-49(81(126)127)21-16-30-89-82(86)87)100-69(114)51(37-58(84)107)93-68(113)50(35-41(2)3)94-71(116)54-22-18-32-103(54)79(124)57-25-20-34-105(57)77(122)52(36-47-39-88-40-90-47)96-73(118)62(42(4)5)98-74(119)63(43(6)7)97-72(117)56-24-17-31-102(56)78(123)53(38-59(85)108)95-67(112)48(27-28-61(110)111)91-60(109)26-14-13-15-29-83/h39-46,48-57,62-66,106H,12-38,83H2,1-11H3,(H2,84,107)(H2,85,108)(H,88,90)(H,91,109)(H,92,115)(H,93,113)(H,94,116)(H,95,112)(H,96,118)(H,97,117)(H,98,119)(H,99,121)(H,100,114)(H,101,120)(H,110,111)(H,126,127)(H4,86,87,89)/t45-,46+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,62-,63-,64-,65-,66-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Inhibition of biotin-labeled MBP (85 to 99 residues) binding to HLA class 2 DRB1*1501 mutant allele after 2 hrs by TMB + substrate-chromogen based as...

Eur J Med Chem 143: 621-631 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.063
BindingDB Entry DOI: 10.7270/Q2NP273D
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50464580
PNG
(CHEMBL4277461)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C76H124N22O21/c1-12-40(10)59(70(113)92-58(39(8)9)69(112)94-60(41(11)99)74(117)97-28-16-20-50(97)64(107)85-44(75(118)119)18-13-25-83-76(80)81)93-63(106)46(32-53(78)100)86-62(105)45(30-36(2)3)87-65(108)49-19-15-27-96(49)73(116)52-22-17-29-98(52)71(114)47(31-42-34-82-35-84-42)89-67(110)56(37(4)5)91-68(111)57(38(6)7)90-66(109)51-21-14-26-95(51)72(115)48(33-54(79)101)88-61(104)43(77)23-24-55(102)103/h34-41,43-52,56-60,99H,12-33,77H2,1-11H3,(H2,78,100)(H2,79,101)(H,82,84)(H,85,107)(H,86,105)(H,87,108)(H,88,104)(H,89,110)(H,90,109)(H,91,111)(H,92,113)(H,93,106)(H,94,112)(H,102,103)(H,118,119)(H4,80,81,83)/t40-,41+,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,56-,57-,58-,59-,60-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Inhibition of biotin-labeled MBP (85 to 99 residues) binding to HLA class 2 DRB1*1501 mutant allele after 2 hrs by TMB + substrate-chromogen based as...

Eur J Med Chem 143: 621-631 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.063
BindingDB Entry DOI: 10.7270/Q2NP273D
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289258
PNG
((S)-2-((S)-3-Carbamoyl-2-{(S)-2-[((R)-2-ethoxycarb...)
Show SMILES CCOC(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C33H48N8O8/c1-6-49-33(47)39-24(17-21-13-9-12-20-11-7-8-14-22(20)21)30(45)41(4)25(15-10-16-37-32(35)36)29(44)38-23(18-26(34)42)28(43)40-27(19(2)3)31(46)48-5/h7-9,11-14,19,23-25,27H,6,10,15-18H2,1-5H3,(H2,34,42)(H,38,44)(H,39,47)(H,40,43)(H4,35,36,37)/t23-,24+,25-,27-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II MHC for ...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289258
PNG
((S)-2-((S)-3-Carbamoyl-2-{(S)-2-[((R)-2-ethoxycarb...)
Show SMILES CCOC(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C33H48N8O8/c1-6-49-33(47)39-24(17-21-13-9-12-20-11-7-8-14-22(20)21)30(45)41(4)25(15-10-16-37-32(35)36)29(44)38-23(18-26(34)42)28(43)40-27(19(2)3)31(46)48-5/h7-9,11-14,19,23-25,27H,6,10,15-18H2,1-5H3,(H2,34,42)(H,38,44)(H,39,47)(H,40,43)(H4,35,36,37)/t23-,24+,25-,27-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50079824
PNG
(((S)-1-{(S)-1-[(S)-(S)-1-(1-Carbamoyl-3-methyl-but...)
Show SMILES CCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C29H48N8O6/c1-5-11-20(25(39)36-22(24(30)38)16-18(3)4)34-26(40)21(14-10-15-33-28(31)32)35-27(41)23(37-29(42)43-6-2)17-19-12-8-7-9-13-19/h7-9,12-13,18,20-23H,5-6,10-11,14-17H2,1-4H3,(H2,30,38)(H,34,40)(H,35,41)(H,36,39)(H,37,42)(H4,31,32,33)/t20-,21-,22-,23-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289272
PNG
(CHEMBL80597 | [(R)-1-{(S)-1-[(S)-1-((S)-1-Carbamoy...)
Show SMILES CCOC(=O)N[C@H](Cc1ccc(OCC)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C28H45N5O7/c1-8-39-20-12-10-19(11-13-20)15-22(32-28(38)40-9-2)26(36)33-23(17(5)6)27(37)30-18(7)25(35)31-21(24(29)34)14-16(3)4/h10-13,16-18,21-23H,8-9,14-15H2,1-7H3,(H2,29,34)(H,30,37)(H,31,35)(H,32,38)(H,33,36)/t18-,21-,22+,23-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II MHC for ...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289271
PNG
(CHEMBL77558 | [(R)-1-{(S)-1-[(S)-1-((S)-1-Carbamoy...)
Show SMILES CCOC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C26H40ClN5O6/c1-7-38-26(37)31-20(13-17-8-10-18(27)11-9-17)24(35)32-21(15(4)5)25(36)29-16(6)23(34)30-19(22(28)33)12-14(2)3/h8-11,14-16,19-21H,7,12-13H2,1-6H3,(H2,28,33)(H,29,36)(H,30,34)(H,31,37)(H,32,35)/t16-,19-,20+,21-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II MHC for ...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289252
PNG
((S)-2-((S)-2-{(S)-2-[(S)-2-(3-Ethyl-ureido)-3-phen...)
Show SMILES CCNC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C26H42N6O5/c1-7-28-26(37)31-20(14-18-11-9-8-10-12-18)24(35)32-21(16(4)5)25(36)29-17(6)23(34)30-19(22(27)33)13-15(2)3/h8-12,15-17,19-21H,7,13-14H2,1-6H3,(H2,27,33)(H,29,36)(H,30,34)(H,32,35)(H2,28,31,37)/t17-,19-,20-,21-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II MHC for ...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289267
PNG
(((R)-2-Benzo[b]thiophen-3-yl-1-{(S)-1-[(S)-1-((S)-...)
Show SMILES CCOC(=O)N[C@H](Cc1csc2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C28H41N5O6S/c1-7-39-28(38)32-21(13-18-14-40-22-11-9-8-10-19(18)22)26(36)33-23(16(4)5)27(37)30-17(6)25(35)31-20(24(29)34)12-15(2)3/h8-11,14-17,20-21,23H,7,12-13H2,1-6H3,(H2,29,34)(H,30,37)(H,31,35)(H,32,38)(H,33,36)/t17-,20-,21+,23-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II MHC for ...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289264
PNG
((S)-4-Methyl-2-((S)-2-{(S)-3-methyl-2-[(S)-2-(4-ox...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(C)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C28H43N5O6/c1-16(2)14-21(25(29)36)32-26(37)19(6)30-28(39)24(17(3)4)33-27(38)22(15-20-10-8-7-9-11-20)31-23(35)13-12-18(5)34/h7-11,16-17,19,21-22,24H,12-15H2,1-6H3,(H2,29,36)(H,30,39)(H,31,35)(H,32,37)(H,33,38)/t19-,21-,22-,24-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II MHC for ...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50326704
PNG
((4S,7S,10S,13S,16S,19S,22S,25S,28S)-4-acetamido-1-...)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)-c1cc2cc(ccc2cc1-[#6](-[#8])=O)-[#7](-[#6])-[#6])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C51H78N14O15S/c1-24(2)18-37(50(79)80)63-43(71)28(6)58-41(69)26(4)56-40(68)25(3)57-42(70)27(5)59-45(73)36(15-17-81-10)62-48(76)39(23-66)64-46(74)35(12-11-16-54-51(52)53)61-47(75)38(60-29(7)67)22-55-44(72)33-21-31-19-32(65(8)9)14-13-30(31)20-34(33)49(77)78/h13-14,19-21,24-28,35-39,66H,11-12,15-18,22-23H2,1-10H3,(H,55,72)(H,56,68)(H,57,70)(H,58,69)(H,59,73)(H,60,67)(H,61,75)(H,62,76)(H,63,71)(H,64,74)(H,77,78)(H,79,80)(H4,52,53,54)/t25-,26-,27-,28-,35-,36-,37-,38-,39-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Displacement of biotin-HA from recombinant soluble HLA-DR1 expressed in human T2 cells at acidic pH by ELISA

Nat Chem Biol 3: 222-8 (2007)


Article DOI: 10.1038/nchembio868
BindingDB Entry DOI: 10.7270/Q2HT2PJR
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50326703
PNG
((5S,8S,11S,14S,17S,20S,23S,26S,29S)-5-acetamido-1-...)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)-[#6]-c1ccc(cc1-[#6](-[#8])=O)-[#7](-[#6])-[#6])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C48H78N14O15S/c1-23(2)18-34(47(76)77)60-41(69)27(6)55-39(67)25(4)53-38(66)24(3)54-40(68)26(5)56-42(70)33(15-17-78-10)59-45(73)36(22-63)61-43(71)32(12-11-16-51-48(49)50)58-44(72)35(57-28(7)64)21-52-37(65)19-29-13-14-30(62(8)9)20-31(29)46(74)75/h13-14,20,23-27,32-36,63H,11-12,15-19,21-22H2,1-10H3,(H,52,65)(H,53,66)(H,54,68)(H,55,67)(H,56,70)(H,57,64)(H,58,72)(H,59,73)(H,60,69)(H,61,71)(H,74,75)(H,76,77)(H4,49,50,51)/t24-,25-,26-,27-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Displacement of biotin-HA from recombinant soluble HLA-DR1 expressed in human T2 cells at acidic pH by ELISA

Nat Chem Biol 3: 222-8 (2007)


Article DOI: 10.1038/nchembio868
BindingDB Entry DOI: 10.7270/Q2HT2PJR
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289275
PNG
(((S)-1-{(S)-1-[(S)-1-((S)-1-Carbamoyl-3-methyl-but...)
Show SMILES CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C26H41N5O6/c1-7-37-26(36)30-20(14-18-11-9-8-10-12-18)24(34)31-21(16(4)5)25(35)28-17(6)23(33)29-19(22(27)32)13-15(2)3/h8-12,15-17,19-21H,7,13-14H2,1-6H3,(H2,27,32)(H,28,35)(H,29,33)(H,30,36)(H,31,34)/t17-,19-,20-,21-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II MHC for ...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289265
PNG
((S)-2-[(S)-3-Carbamoyl-2-((S)-2-{[(R)-2-ethoxycarb...)
Show SMILES CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C30H45N9O8/c1-5-47-30(46)37-21(13-17-15-35-19-10-7-6-9-18(17)19)27(43)39(4)22(11-8-12-34-29(32)33)26(42)36-20(14-23(31)40)25(41)38-24(16(2)3)28(44)45/h6-7,9-10,15-16,20-22,24,35H,5,8,11-14H2,1-4H3,(H2,31,40)(H,36,42)(H,37,46)(H,38,41)(H,44,45)(H4,32,33,34)/t20-,21+,22-,24-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II MHC for ...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289279
PNG
(((S)-1-{(S)-1-[(S)-1-((S)-1-Carbamoyl-3-methyl-but...)
Show SMILES CCCCCCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C30H49N5O6/c1-7-8-9-13-16-41-30(40)34-24(18-22-14-11-10-12-15-22)28(38)35-25(20(4)5)29(39)32-21(6)27(37)33-23(26(31)36)17-19(2)3/h10-12,14-15,19-21,23-25H,7-9,13,16-18H2,1-6H3,(H2,31,36)(H,32,39)(H,33,37)(H,34,40)(H,35,38)/t21-,23-,24-,25-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II MHC for ...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289247
PNG
((S)-2-((S)-3-Carbamoyl-2-{(S)-2-[((R)-2-ethoxycarb...)
Show SMILES CCOC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C32H46N8O8/c1-5-48-32(47)38-23(16-19-12-13-20-9-6-7-10-21(20)15-19)29(44)40(4)24(11-8-14-36-31(34)35)28(43)37-22(17-25(33)41)27(42)39-26(18(2)3)30(45)46/h6-7,9-10,12-13,15,18,22-24,26H,5,8,11,14,16-17H2,1-4H3,(H2,33,41)(H,37,43)(H,38,47)(H,39,42)(H,45,46)(H4,34,35,36)/t22-,23+,24-,26-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289257
PNG
(((S)-1-{(S)-1-[(S)-1-((S)-1-Carbamoyl-3-methyl-but...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(N)=O
Show InChI InChI=1S/C28H45N5O6/c1-16(2)14-20(23(29)34)31-24(35)18(5)30-26(37)22(17(3)4)33-25(36)21(15-19-12-10-9-11-13-19)32-27(38)39-28(6,7)8/h9-13,16-18,20-22H,14-15H2,1-8H3,(H2,29,34)(H,30,37)(H,31,35)(H,32,38)(H,33,36)/t18-,20-,21-,22-/m0/s1
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n/an/a 43n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II MHC for ...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289261
PNG
(Acetic acid ((S)-1-{(S)-1-[(S)-1-((S)-1-carbamoyl-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)COC(C)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C27H41N5O7/c1-15(2)12-20(24(28)35)31-25(36)17(5)29-27(38)23(16(3)4)32-26(37)21(13-19-10-8-7-9-11-19)30-22(34)14-39-18(6)33/h7-11,15-17,20-21,23H,12-14H2,1-6H3,(H2,28,35)(H,29,38)(H,30,34)(H,31,36)(H,32,37)/t17-,20-,21-,23-/m0/s1
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n/an/a 46n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289280
PNG
(CHEMBL309641 | [(R)-1-{(S)-1-[(S)-1-((S)-1-Carbamo...)
Show SMILES CCOC(=O)N[C@H](Cc1ccc(OC)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C27H43N5O7/c1-8-39-27(37)31-21(14-18-9-11-19(38-7)12-10-18)25(35)32-22(16(4)5)26(36)29-17(6)24(34)30-20(23(28)33)13-15(2)3/h9-12,15-17,20-22H,8,13-14H2,1-7H3,(H2,28,33)(H,29,36)(H,30,34)(H,31,37)(H,32,35)/t17-,20-,21+,22-/m0/s1
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n/an/a 46n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II MHC for ...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50464581
PNG
(CHEMBL4292594)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCCCCNC(=O)CCSSCC(=O)NCCCCNc1ccc(O)c2C(=O)c3ccccc3C(=O)c12)C(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C105H157N25O27S2/c1-12-58(10)86(99(151)124-85(57(8)9)98(150)126-87(59(11)131)103(155)129-44-23-29-71(129)93(145)117-65(104(156)157)27-20-41-114-105(108)109)125-92(144)67(49-75(106)133)118-91(143)66(47-54(2)3)119-94(146)70-28-22-43-128(70)102(154)73-31-24-45-130(73)100(152)68(48-60-51-110-53-115-60)121-96(148)83(55(4)5)123-97(149)84(56(6)7)122-95(147)72-30-21-42-127(72)101(153)69(50-76(107)134)120-90(142)64(34-36-80(138)139)116-78(136)32-14-13-17-39-112-77(135)37-46-158-159-52-79(137)113-40-19-18-38-111-63-33-35-74(132)82-81(63)88(140)61-25-15-16-26-62(61)89(82)141/h15-16,25-26,33,35,51,53-59,64-73,83-87,111,131-132H,12-14,17-24,27-32,34,36-50,52H2,1-11H3,(H2,106,133)(H2,107,134)(H,110,115)(H,112,135)(H,113,137)(H,116,136)(H,117,145)(H,118,143)(H,119,146)(H,120,142)(H,121,148)(H,122,147)(H,123,149)(H,124,151)(H,125,144)(H,126,150)(H,138,139)(H,156,157)(H4,108,109,114)/t58-,59+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,83-,84-,85-,86-,87-/m0/s1
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n/an/a 56n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Inhibition of biotin-labeled MBP (85 to 99 residues) binding to HLA class 2 DRB1*1501 mutant allele after 2 hrs by TMB + substrate-chromogen based as...

Eur J Med Chem 143: 621-631 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.063
BindingDB Entry DOI: 10.7270/Q2NP273D
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289278
PNG
((S)-2-[(S)-3-Carbamoyl-2-((S)-2-{[(R)-2-ethoxycarb...)
Show SMILES CCOC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C28H44N8O9/c1-5-45-28(44)34-19(13-16-8-10-17(37)11-9-16)25(41)36(4)20(7-6-12-32-27(30)31)24(40)33-18(14-21(29)38)23(39)35-22(15(2)3)26(42)43/h8-11,15,18-20,22,37H,5-7,12-14H2,1-4H3,(H2,29,38)(H,33,40)(H,34,44)(H,35,39)(H,42,43)(H4,30,31,32)/t18-,19+,20-,22-/m0/s1
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n/an/a 63n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289248
PNG
(((S)-1-{(S)-5-Amino-1-[(S)-1-((S)-1-carbamoyl-3-me...)
Show SMILES CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C27H44N6O6/c1-5-39-27(38)33-22(16-19-11-7-6-8-12-19)26(37)31-20(13-9-10-14-28)25(36)30-18(4)24(35)32-21(23(29)34)15-17(2)3/h6-8,11-12,17-18,20-22H,5,9-10,13-16,28H2,1-4H3,(H2,29,34)(H,30,36)(H,31,37)(H,32,35)(H,33,38)/t18-,20-,21-,22-/m0/s1
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n/an/a 67n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II MHC for ...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289271
PNG
(CHEMBL77558 | [(R)-1-{(S)-1-[(S)-1-((S)-1-Carbamoy...)
Show SMILES CCOC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C26H40ClN5O6/c1-7-38-26(37)31-20(13-17-8-10-18(27)11-9-17)24(35)32-21(15(4)5)25(36)29-16(6)23(34)30-19(22(28)33)12-14(2)3/h8-11,14-16,19-21H,7,12-13H2,1-6H3,(H2,28,33)(H,29,36)(H,30,34)(H,31,37)(H,32,35)/t16-,19-,20+,21-/m0/s1
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n/an/a 73n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289272
PNG
(CHEMBL80597 | [(R)-1-{(S)-1-[(S)-1-((S)-1-Carbamoy...)
Show SMILES CCOC(=O)N[C@H](Cc1ccc(OCC)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C28H45N5O7/c1-8-39-20-12-10-19(11-13-20)15-22(32-28(38)40-9-2)26(36)33-23(17(5)6)27(37)30-18(7)25(35)31-21(24(29)34)14-16(3)4/h10-13,16-18,21-23H,8-9,14-15H2,1-7H3,(H2,29,34)(H,30,37)(H,31,35)(H,32,38)(H,33,36)/t18-,21-,22+,23-/m0/s1
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n/an/a 75n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289289
PNG
((S)-2-((S)-2-{(S)-2-[(S)-2-(2-Acetylamino-acetylam...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(C)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C27H42N6O6/c1-15(2)12-20(24(28)36)32-25(37)17(5)30-27(39)23(16(3)4)33-26(38)21(13-19-10-8-7-9-11-19)31-22(35)14-29-18(6)34/h7-11,15-17,20-21,23H,12-14H2,1-6H3,(H2,28,36)(H,29,34)(H,30,39)(H,31,35)(H,32,37)(H,33,38)/t17-,20-,21-,23-/m0/s1
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n/an/a 81n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II MHC for ...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289269
PNG
(((S)-1-{(S)-5-Amino-1-[(S)-1-((S)-1-carbamoyl-pent...)
Show SMILES CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC)C(N)=O
Show InChI InChI=1S/C27H44N6O6/c1-4-6-14-20(23(29)34)31-24(35)18(3)30-25(36)21(15-10-11-16-28)32-26(37)22(33-27(38)39-5-2)17-19-12-8-7-9-13-19/h7-9,12-13,18,20-22H,4-6,10-11,14-17,28H2,1-3H3,(H2,29,34)(H,30,36)(H,31,35)(H,32,37)(H,33,38)/t18-,20-,21-,22-/m0/s1
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n/an/a 81n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289276
PNG
((1-{2-Methyl-1-[1-(2-oxo-azepan-3-ylcarbamoyl)-eth...)
Show SMILES CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H]1CCCCNC1=O
Show InChI InChI=1S/C26H39N5O6/c1-5-37-26(36)30-20(15-18-11-7-6-8-12-18)24(34)31-21(16(2)3)25(35)28-17(4)22(32)29-19-13-9-10-14-27-23(19)33/h6-8,11-12,16-17,19-21H,5,9-10,13-15H2,1-4H3,(H,27,33)(H,28,35)(H,29,32)(H,30,36)(H,31,34)/t17-,19-,20-,21-/m0/s1
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n/an/a 82n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289267
PNG
(((R)-2-Benzo[b]thiophen-3-yl-1-{(S)-1-[(S)-1-((S)-...)
Show SMILES CCOC(=O)N[C@H](Cc1csc2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C28H41N5O6S/c1-7-39-28(38)32-21(13-18-14-40-22-11-9-8-10-19(18)22)26(36)33-23(16(4)5)27(37)30-17(6)25(35)31-20(24(29)34)12-15(2)3/h8-11,14-17,20-21,23H,7,12-13H2,1-6H3,(H2,29,34)(H,30,37)(H,31,35)(H,32,38)(H,33,36)/t17-,20-,21+,23-/m0/s1
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n/an/a 85n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50464580
PNG
(CHEMBL4277461)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C76H124N22O21/c1-12-40(10)59(70(113)92-58(39(8)9)69(112)94-60(41(11)99)74(117)97-28-16-20-50(97)64(107)85-44(75(118)119)18-13-25-83-76(80)81)93-63(106)46(32-53(78)100)86-62(105)45(30-36(2)3)87-65(108)49-19-15-27-96(49)73(116)52-22-17-29-98(52)71(114)47(31-42-34-82-35-84-42)89-67(110)56(37(4)5)91-68(111)57(38(6)7)90-66(109)51-21-14-26-95(51)72(115)48(33-54(79)101)88-61(104)43(77)23-24-55(102)103/h34-41,43-52,56-60,99H,12-33,77H2,1-11H3,(H2,78,100)(H2,79,101)(H,82,84)(H,85,107)(H,86,105)(H,87,108)(H,88,104)(H,89,110)(H,90,109)(H,91,111)(H,92,113)(H,93,106)(H,94,112)(H,102,103)(H,118,119)(H4,80,81,83)/t40-,41+,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,56-,57-,58-,59-,60-/m0/s1
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n/an/a 87n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Inhibition of biotin-labeled MBP (85 to 99 residues) binding to HLA class 2 DRB1*0101 mutant allele after 2 hrs by TMB + substrate-chromogen based as...

Eur J Med Chem 143: 621-631 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.063
BindingDB Entry DOI: 10.7270/Q2NP273D
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289274
PNG
(CHEMBL309610 | [(R)-1-{(S)-1-[(S)-1-((S)-1-Carbamo...)
Show SMILES CCOC(=O)N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C26H40N6O8/c1-7-40-26(37)30-20(13-17-8-10-18(11-9-17)32(38)39)24(35)31-21(15(4)5)25(36)28-16(6)23(34)29-19(22(27)33)12-14(2)3/h8-11,14-16,19-21H,7,12-13H2,1-6H3,(H2,27,33)(H,28,36)(H,29,34)(H,30,37)(H,31,35)/t16-,19-,20+,21-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II MHC for ...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289277
PNG
((S)-4-Methyl-2-{(S)-2-[(S)-3-methyl-2-((S)-2-penta...)
Show SMILES CCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C28H45N5O5/c1-7-8-14-23(34)31-22(16-20-12-10-9-11-13-20)27(37)33-24(18(4)5)28(38)30-19(6)26(36)32-21(25(29)35)15-17(2)3/h9-13,17-19,21-22,24H,7-8,14-16H2,1-6H3,(H2,29,35)(H,30,38)(H,31,34)(H,32,36)(H,33,37)/t19-,21-,22-,24-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II MHC for ...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289255
PNG
(((R)-1-{(S)-1-[(S)-1-((S)-1-Carbamoyl-3-methyl-but...)
Show SMILES CCOC(=O)N[C@H](CCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C27H43N5O6/c1-7-38-27(37)31-20(14-13-19-11-9-8-10-12-19)25(35)32-22(17(4)5)26(36)29-18(6)24(34)30-21(23(28)33)15-16(2)3/h8-12,16-18,20-22H,7,13-15H2,1-6H3,(H2,28,33)(H,29,36)(H,30,34)(H,31,37)(H,32,35)/t18-,20+,21-,22-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II MHC for ...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289266
PNG
(6-Amino-hexanoic acid (1-{(S)-1-[1-((S)-(S)-1-carb...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN)C(C)C)C(N)=O
Show InChI InChI=1S/C29H48N6O5/c1-18(2)16-22(26(31)37)34-27(38)20(5)32-29(40)25(19(3)4)35-28(39)23(17-21-12-8-6-9-13-21)33-24(36)14-10-7-11-15-30/h6,8-9,12-13,18-20,22-23,25H,7,10-11,14-17,30H2,1-5H3,(H2,31,37)(H,32,40)(H,33,36)(H,34,38)(H,35,39)/t20-,22-,23-,25-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II MHC for ...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289280
PNG
(CHEMBL309641 | [(R)-1-{(S)-1-[(S)-1-((S)-1-Carbamo...)
Show SMILES CCOC(=O)N[C@H](Cc1ccc(OC)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C27H43N5O7/c1-8-39-27(37)31-21(14-18-9-11-19(38-7)12-10-18)25(35)32-22(16(4)5)26(36)29-17(6)24(34)30-20(23(28)33)13-15(2)3/h9-12,15-17,20-22H,8,13-14H2,1-7H3,(H2,28,33)(H,29,36)(H,30,34)(H,31,37)(H,32,35)/t17-,20-,21+,22-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II MHC for ...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289260
PNG
((S)-4-Methyl-2-((S)-2-{(S)-3-methyl-2-[(S)-3-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1)C(C)C)C(N)=O
Show InChI InChI=1S/C30H43N5O6S/c1-18(2)16-24(27(31)36)33-28(37)21(6)32-30(39)26(19(3)4)34-29(38)25(17-22-10-8-7-9-11-22)35-42(40,41)23-14-12-20(5)13-15-23/h7-15,18-19,21,24-26,35H,16-17H2,1-6H3,(H2,31,36)(H,32,39)(H,33,37)(H,34,38)/t21-,24-,25-,26-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration to the endothelin A receptor expressed in LtK cells

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289251
PNG
(((S)-1-{(S)-5-Amino-1-[(S)-1-((S)-1-carbamoyl-3-me...)
Show SMILES CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(N)=O
Show InChI InChI=1S/C26H42N6O6S/c1-4-38-26(37)32-21(16-18-10-6-5-7-11-18)25(36)31-20(12-8-9-14-27)24(35)29-17(2)23(34)30-19(22(28)33)13-15-39-3/h5-7,10-11,17,19-21H,4,8-9,12-16,27H2,1-3H3,(H2,28,33)(H,29,35)(H,30,34)(H,31,36)(H,32,37)/t17-,19-,20-,21-/m0/s1
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n/an/a 230n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II MHC for ...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289283
PNG
(Acetic acid 4-((R)-2-{(S)-1-[(S)-1-((S)-1-carbamoy...)
Show SMILES CCOC(=O)N[C@H](Cc1ccc(OC(C)=O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C28H43N5O8/c1-8-40-28(39)32-22(14-19-9-11-20(12-10-19)41-18(7)34)26(37)33-23(16(4)5)27(38)30-17(6)25(36)31-21(24(29)35)13-15(2)3/h9-12,15-17,21-23H,8,13-14H2,1-7H3,(H2,29,35)(H,30,38)(H,31,36)(H,32,39)(H,33,37)/t17-,21-,22+,23-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II MHC for ...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
MHC class II antigen


(Homo sapiens (Human))		BDBM50289285
PNG
(((S)-2-Benzylsulfanyl-1-{(S)-1-[(S)-1-((S)-1-carba...)
Show SMILES CCOC(=O)N[C@H](CSCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C27H43N5O6S/c1-7-38-27(37)31-21(15-39-14-19-11-9-8-10-12-19)25(35)32-22(17(4)5)26(36)29-18(6)24(34)30-20(23(28)33)13-16(2)3/h8-12,16-18,20-22H,7,13-15H2,1-6H3,(H2,28,33)(H,29,36)(H,30,34)(H,31,37)(H,32,35)/t18-,20-,21+,22-/m0/s1
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n/an/a 270n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II MHC for ...

Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
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