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Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with Target = 'MHC class II' AND taxid = 10116   
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
MHC class II


(Rattus norvegicus)
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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2109-14 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079829
PNG
(((S)-1-{(S)-1-[(S)-1-((S)-1-Carbamoyl-3-methyl-but...)
Show SMILES CCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC)C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C28H45N5O6/c1-7-12-20(25(35)31-21(24(29)34)15-17(3)4)30-27(37)23(18(5)6)33-26(36)22(32-28(38)39-8-2)16-19-13-10-9-11-14-19/h9-11,13-14,17-18,20-23H,7-8,12,15-16H2,1-6H3,(H2,29,34)(H,30,37)(H,31,35)(H,32,38)(H,33,36)/t20-,21-,22-,23-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2109-14 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079854
PNG
((S)-2-(3-Cyclohexyl-propylamino)-pentanoic acid [(...)
Show SMILES CCC[C@H](NCCCC1CCCCC1)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C25H48N4O3/c1-5-11-20(27-16-10-15-19-13-8-7-9-14-19)24(31)28-21(12-6-2)25(32)29-22(23(26)30)17-18(3)4/h18-22,27H,5-17H2,1-4H3,(H2,26,30)(H,28,31)(H,29,32)/t20-,21-,22-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2115-8 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079848
PNG
((S)-2-(3-Cyclohexyl-propylamino)-2-methyl-pentanoi...)
Show SMILES CCC[C@H](NC(=O)[C@](C)(CCC)NCCCC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C26H50N4O3/c1-6-12-21(24(32)29-22(23(27)31)18-19(3)4)30-25(33)26(5,16-7-2)28-17-11-15-20-13-9-8-10-14-20/h19-22,28H,6-18H2,1-5H3,(H2,27,31)(H,29,32)(H,30,33)/t21-,22-,26-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2115-8 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079845
PNG
((S)-2-[(R)-3-(3-Cyclohexyl-propylamino)-2-oxo-3-pr...)
Show SMILES CCC[C@H](N1CC[C@@](CCC)(NCCCC2CCCCC2)C1=O)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C27H50N4O3/c1-5-11-23(25(33)30-22(24(28)32)19-20(3)4)31-18-16-27(15-6-2,26(31)34)29-17-10-14-21-12-8-7-9-13-21/h20-23,29H,5-19H2,1-4H3,(H2,28,32)(H,30,33)/t22-,23-,27+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2115-8 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079846
PNG
(CHEMBL63598 | N-Butyl-N'-{(S)-2-[(R)-3-(3-cyclohex...)
Show SMILES CCCCN(NC(=O)[C@H](CCC)N1CC[C@@](CCCO)(NCCCC2CCCCC2)C1=O)C(=O)OCC
Show InChI InChI=1S/C28H52N4O5/c1-4-7-20-32(27(36)37-6-3)30-25(34)24(13-5-2)31-21-18-28(26(31)35,17-12-22-33)29-19-11-16-23-14-9-8-10-15-23/h23-24,29,33H,4-22H2,1-3H3,(H,30,34)/t24-,28+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2115-8 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079850
PNG
(CHEMBL67011 | N-Butyl-N'-{(S)-2-[(R)-3-(3-cyclohex...)
Show SMILES CCCCN(NC(=O)[C@H](CCC)N1CC[C@@](CCCNC(N)=N)(NCCCC2CCCCC2)C1=O)C(=O)OCC
Show InChI InChI=1S/C29H55N7O4/c1-4-7-21-36(28(39)40-6-3)34-25(37)24(13-5-2)35-22-18-29(26(35)38,17-12-19-32-27(30)31)33-20-11-16-23-14-9-8-10-15-23/h23-24,33H,4-22H2,1-3H3,(H,34,37)(H4,30,31,32)/t24-,29+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2115-8 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079844
PNG
(CHEMBL66358 | N-Butyl-N'-{(S)-2-[(R)-3-(3-cyclohex...)
Show SMILES CCCCN(NC(=O)[C@H](CCC)N1CC[C@@](CCC)(NCCCC2CCCCC2)C1=O)C(=O)OCC
Show InChI InChI=1S/C28H52N4O4/c1-5-9-21-32(27(35)36-8-4)30-25(33)24(14-6-2)31-22-19-28(18-7-3,26(31)34)29-20-13-17-23-15-11-10-12-16-23/h23-24,29H,5-22H2,1-4H3,(H,30,33)/t24-,28+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2115-8 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079826
PNG
((S)-2-{(S)-2-[2-(3-Cyclohexyl-propylamino)-2-methy...)
Show SMILES CCC[C@H](NC(=O)C(C)(C)NCCCC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C24H46N4O3/c1-6-11-19(22(30)27-20(21(25)29)16-17(2)3)28-23(31)24(4,5)26-15-10-14-18-12-8-7-9-13-18/h17-20,26H,6-16H2,1-5H3,(H2,25,29)(H,27,30)(H,28,31)/t19-,20-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2109-14 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079823
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(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C24H37N5O6/c1-6-35-24(34)29-19(13-17-10-8-7-9-11-17)23(33)27-15(4)21(31)26-16(5)22(32)28-18(20(25)30)12-14(2)3/h7-11,14-16,18-19H,6,12-13H2,1-5H3,(H2,25,30)(H,26,31)(H,27,33)(H,28,32)(H,29,34)/t15-,16-,18-,19-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2109-14 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079827
PNG
(CHEMBL63981 | [(S)-1-((S)-1-{[(S)-1-((S)-1-Carbamo...)
Show SMILES CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C25H39N5O6/c1-7-36-25(35)29-20(14-18-11-9-8-10-12-18)23(33)27-16(4)24(34)30(6)17(5)22(32)28-19(21(26)31)13-15(2)3/h8-12,15-17,19-20H,7,13-14H2,1-6H3,(H2,26,31)(H,27,33)(H,28,32)(H,29,35)/t16-,17-,19-,20-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2109-14 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079837
PNG
((S)-2-[(R)-3-((E)-3-Cycloheptyl-allylamino)-2-oxo-...)
Show SMILES CCC[C@H](N1CC[C@@H](NC\C=C\C2CCCCCC2)C1=O)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C25H44N4O3/c1-4-10-22(24(31)28-21(23(26)30)17-18(2)3)29-16-14-20(25(29)32)27-15-9-13-19-11-7-5-6-8-12-19/h9,13,18-22,27H,4-8,10-12,14-17H2,1-3H3,(H2,26,30)(H,28,31)/b13-9+/t20-,21+,22+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2109-14 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079833
PNG
((S)-2-[(R)-3-(3-Cyclohexyl-propylamino)-2-oxo-pyrr...)
Show SMILES CCC[C@H](N1CC[C@@H](NCCCC2CCCCC2)C1=O)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C24H44N4O3/c1-4-9-21(23(30)27-20(22(25)29)16-17(2)3)28-15-13-19(24(28)31)26-14-8-12-18-10-6-5-7-11-18/h17-21,26H,4-16H2,1-3H3,(H2,25,29)(H,27,30)/t19-,20+,21+/m1/s1
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n/an/a 760n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2115-8 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079833
PNG
((S)-2-[(R)-3-(3-Cyclohexyl-propylamino)-2-oxo-pyrr...)
Show SMILES CCC[C@H](N1CC[C@@H](NCCCC2CCCCC2)C1=O)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C24H44N4O3/c1-4-9-21(23(30)27-20(22(25)29)16-17(2)3)28-15-13-19(24(28)31)26-14-8-12-18-10-6-5-7-11-18/h17-21,26H,4-16H2,1-3H3,(H2,25,29)(H,27,30)/t19-,20+,21+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2109-14 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079842
PNG
(CHEMBL292053 | N-Butyl-N'-{(S)-2-[(R)-3-(3-cyclohe...)
Show SMILES CCCCN(NC(=O)[C@H](CCC)N1CC[C@@H](NCCCC2CCCCC2)C1=O)C(=O)OCC
Show InChI InChI=1S/C25H46N4O4/c1-4-7-18-29(25(32)33-6-3)27-23(30)22(12-5-2)28-19-16-21(24(28)31)26-17-11-15-20-13-9-8-10-14-20/h20-22,26H,4-19H2,1-3H3,(H,27,30)/t21-,22+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2115-8 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079828
PNG
(CHEMBL63933 | [(S)-1-(1-{(S)-1-[((S)-(S)-1-Carbamo...)
Show SMILES CCC[C@@H](CN[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC
Show InChI InChI=1S/C29H50N8O5/c1-5-11-21(18-34-23(25(30)38)16-19(3)4)35-26(39)22(14-10-15-33-28(31)32)36-27(40)24(37-29(41)42-6-2)17-20-12-8-7-9-13-20/h7-9,12-13,19,21-24,34H,5-6,10-11,14-18H2,1-4H3,(H2,30,38)(H,35,39)(H,36,40)(H,37,41)(H4,31,32,33)/t21-,22-,23-,24-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2109-14 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079847
PNG
(1-(3-Cyclohexyl-propylamino)-cyclopentanecarboxyli...)
Show SMILES CCC[C@H](NC(=O)C1(CCCC1)NCCCC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C26H48N4O3/c1-4-11-21(24(32)29-22(23(27)31)18-19(2)3)30-25(33)26(15-8-9-16-26)28-17-10-14-20-12-6-5-7-13-20/h19-22,28H,4-18H2,1-3H3,(H2,27,31)(H,29,32)(H,30,33)/t21-,22-/m0/s1
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n/an/a 1.26E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2115-8 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079852
PNG
((S)-2-[(S)-3-(3-Cyclohexyl-propylamino)-2-oxo-3-pr...)
Show SMILES CCC[C@H](N1CC[C@](CCC)(NCCCC2CCCCC2)C1=O)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C27H50N4O3/c1-5-11-23(25(33)30-22(24(28)32)19-20(3)4)31-18-16-27(15-6-2,26(31)34)29-17-10-14-21-12-8-7-9-13-21/h20-23,29H,5-19H2,1-4H3,(H2,28,32)(H,30,33)/t22-,23-,27-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2115-8 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079840
PNG
(((S)-1-{(S)-1-[(S)-1-((S)-1-Carbamoyl-3-methyl-but...)
Show SMILES CCOC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C25H39N5O6/c1-7-36-25(35)30(6)20(14-18-11-9-8-10-12-18)24(34)28-16(4)22(32)27-17(5)23(33)29-19(21(26)31)13-15(2)3/h8-12,15-17,19-20H,7,13-14H2,1-6H3,(H2,26,31)(H,27,32)(H,28,34)(H,29,33)/t16-,17-,19-,20-/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2109-14 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079821
PNG
((1-(S)-1-Benzyl-2-{1-[(S)-1-((S)-1-carbamoyl-3-met...)
Show SMILES CCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC[C@H](Cc1ccccc1)NC(=O)OCC)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C29H50N8O5/c1-5-11-23(27(40)37-24(25(30)38)16-19(3)4)36-26(39)22(14-10-15-33-28(31)32)34-18-21(35-29(41)42-6-2)17-20-12-8-7-9-13-20/h7-9,12-13,19,21-24,34H,5-6,10-11,14-18H2,1-4H3,(H2,30,38)(H,35,41)(H,36,39)(H,37,40)(H4,31,32,33)/t21-,22-,23-,24-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2109-14 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079836
PNG
((S)-2-Benzyl-N-{(S)-1-[(S)-1-((S)-1-carbamoyl-3-me...)
Show SMILES CCC[C@H](N1CC[C@H](NC(=O)[C@H](Cc2ccccc2)C(=O)OCC)C1=O)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C27H40N4O6/c1-5-10-22(25(34)30-21(23(28)32)15-17(3)4)31-14-13-20(26(31)35)29-24(33)19(27(36)37-6-2)16-18-11-8-7-9-12-18/h7-9,11-12,17,19-22H,5-6,10,13-16H2,1-4H3,(H2,28,32)(H,29,33)(H,30,34)/t19-,20-,21-,22-/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2109-14 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079843
PNG
(CHEMBL68009 | N'-{(S)-2-[(R)-3-(3-Cyclohexyl-propy...)
Show SMILES CCC[C@H](N1CC[C@@H](NCCCC2CCCCC2)C1=O)C(=O)NN(CC(C)C)C(=O)OCC
Show InChI InChI=1S/C25H46N4O4/c1-5-11-22(23(30)27-29(18-19(3)4)25(32)33-6-2)28-17-15-21(24(28)31)26-16-10-14-20-12-8-7-9-13-20/h19-22,26H,5-18H2,1-4H3,(H,27,30)/t21-,22+/m1/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2115-8 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079839
PNG
(CHEMBL68277 | [(S)-1-({(S)-1-[(S)-1-((S)-1-Carbamo...)
Show SMILES CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C25H39N5O6/c1-7-36-25(35)29-20(14-18-11-9-8-10-12-18)24(34)30(6)17(5)23(33)27-16(4)22(32)28-19(21(26)31)13-15(2)3/h8-12,15-17,19-20H,7,13-14H2,1-6H3,(H2,26,31)(H,27,33)(H,28,32)(H,29,35)/t16-,17-,19-,20-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2109-14 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079834
PNG
((S)-2-[(S)-3-(3-Cyclohexyl-propylamino)-2-oxo-pyrr...)
Show SMILES CCC[C@H](N1CC[C@H](NCCCC2CCCCC2)C1=O)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C24H44N4O3/c1-4-9-21(23(30)27-20(22(25)29)16-17(2)3)28-15-13-19(24(28)31)26-14-8-12-18-10-6-5-7-11-18/h17-21,26H,4-16H2,1-3H3,(H2,25,29)(H,27,30)/t19-,20-,21-/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2115-8 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079834
PNG
((S)-2-[(S)-3-(3-Cyclohexyl-propylamino)-2-oxo-pyrr...)
Show SMILES CCC[C@H](N1CC[C@H](NCCCC2CCCCC2)C1=O)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C24H44N4O3/c1-4-9-21(23(30)27-20(22(25)29)16-17(2)3)28-15-13-19(24(28)31)26-14-8-12-18-10-6-5-7-11-18/h17-21,26H,4-16H2,1-3H3,(H2,25,29)(H,27,30)/t19-,20-,21-/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2109-14 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079838
PNG
((S)-2-Benzyl-N-{(R)-1-[(S)-1-((S)-1-carbamoyl-3-me...)
Show SMILES CCC[C@H](N1CC[C@@H](NC(=O)[C@H](Cc2ccccc2)C(=O)OCC)C1=O)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C27H40N4O6/c1-5-10-22(25(34)30-21(23(28)32)15-17(3)4)31-14-13-20(26(31)35)29-24(33)19(27(36)37-6-2)16-18-11-8-7-9-12-18/h7-9,11-12,17,19-22H,5-6,10,13-16H2,1-4H3,(H2,28,32)(H,29,33)(H,30,34)/t19-,20+,21-,22-/m0/s1
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n/an/a 2.40E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2109-14 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079830
PNG
(CHEMBL414178 | [(S)-1-((S)-1-{[(S)-1-((S)-1-Carbam...)
Show SMILES CCC[C@H](NC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC)C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C28H47N5O5/c1-7-12-21(26(35)31-22(25(29)34)15-18(3)4)30-17-24(19(5)6)32-27(36)23(33-28(37)38-8-2)16-20-13-10-9-11-14-20/h9-11,13-14,18-19,21-24,30H,7-8,12,15-17H2,1-6H3,(H2,29,34)(H,31,35)(H,32,36)(H,33,37)/t21-,22-,23-,24+/m0/s1
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n/an/a 4.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2109-14 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079853
PNG
((S)-2-[(R)-3-(3-Cyclohexyl-propylamino)-2-oxo-pyrr...)
Show SMILES CCCCN(CCCC)NC(=O)[C@H](CCC)N1CC[C@@H](NCCCC2CCCCC2)C1=O
Show InChI InChI=1S/C26H50N4O2/c1-4-7-19-29(20-8-5-2)28-25(31)24(13-6-3)30-21-17-23(26(30)32)27-18-12-16-22-14-10-9-11-15-22/h22-24,27H,4-21H2,1-3H3,(H,28,31)/t23-,24+/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2115-8 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079851
PNG
(CHEMBL441797 | N'-{(S)-2-[(R)-3-(3-Cyclohexyl-prop...)
Show SMILES CCC[C@H](N1CC[C@@H](NCCCC2CCCCC2)C1=O)C(=O)NN(CC(C)C)C(N)=O
Show InChI InChI=1S/C23H43N5O3/c1-4-9-20(21(29)26-28(23(24)31)16-17(2)3)27-15-13-19(22(27)30)25-14-8-12-18-10-6-5-7-11-18/h17-20,25H,4-16H2,1-3H3,(H2,24,31)(H,26,29)/t19-,20+/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2115-8 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079849
PNG
((R)-2-[(R)-3-(3-Cyclohexyl-propylamino)-2-oxo-3-pr...)
Show SMILES CCC[C@@H](N1CC[C@@](CCC)(NCCCC2CCCCC2)C1=O)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C27H50N4O3/c1-5-11-23(25(33)30-22(24(28)32)19-20(3)4)31-18-16-27(15-6-2,26(31)34)29-17-10-14-21-12-8-7-9-13-21/h20-23,29H,5-19H2,1-4H3,(H2,28,32)(H,30,33)/t22-,23+,27+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2115-8 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079841
PNG
((R)-2-[(S)-3-(3-Cyclohexyl-propylamino)-2-oxo-3-pr...)
Show SMILES CCC[C@@H](N1CC[C@](CCC)(NCCCC2CCCCC2)C1=O)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C27H50N4O3/c1-5-11-23(25(33)30-22(24(28)32)19-20(3)4)31-18-16-27(15-6-2,26(31)34)29-17-10-14-21-12-8-7-9-13-21/h20-23,29H,5-19H2,1-4H3,(H2,28,32)(H,30,33)/t22-,23+,27-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2115-8 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079831
PNG
((S)-2-{(S)-2-[(R)-2-(3-Cyclohexyl-propylamino)-but...)
Show SMILES CCC[C@H](NC(=O)[C@@H](CC)NCCCC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C24H46N4O3/c1-5-11-20(24(31)28-21(22(25)29)16-17(3)4)27-23(30)19(6-2)26-15-10-14-18-12-8-7-9-13-18/h17-21,26H,5-16H2,1-4H3,(H2,25,29)(H,27,30)(H,28,31)/t19-,20+,21+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2109-14 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079832
PNG
((S)-N-{(R)-1-[(S)-1-((S)-1-Carbamoyl-3-methyl-buty...)
Show SMILES CCC[C@H](N1CC[C@@H](NC(=O)[C@H](CC2CCCCC2)C(=O)OCC)C1=O)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C27H46N4O6/c1-5-10-22(25(34)30-21(23(28)32)15-17(3)4)31-14-13-20(26(31)35)29-24(33)19(27(36)37-6-2)16-18-11-8-7-9-12-18/h17-22H,5-16H2,1-4H3,(H2,28,32)(H,29,33)(H,30,34)/t19-,20+,21-,22-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2109-14 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079825
PNG
((S)-N-{(S)-1-[(S)-1-((S)-1-Carbamoyl-3-methyl-buty...)
Show SMILES CCC[C@H](N1CC[C@H](NC(=O)[C@H](CC2CCCCC2)C(=O)OCC)C1=O)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C27H46N4O6/c1-5-10-22(25(34)30-21(23(28)32)15-17(3)4)31-14-13-20(26(31)35)29-24(33)19(27(36)37-6-2)16-18-11-8-7-9-12-18/h17-22H,5-16H2,1-4H3,(H2,28,32)(H,29,33)(H,30,34)/t19-,20-,21-,22-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2109-14 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079835
PNG
(((S)-2-{(R)-1-[(S)-1-((S)-1-Carbamoyl-3-methyl-but...)
Show SMILES CCC[C@H](N1CC[C@@H](NC[C@H](CC2CCCCC2)NC(=O)OCC)C1=O)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C27H49N5O5/c1-5-10-23(25(34)31-22(24(28)33)15-18(3)4)32-14-13-21(26(32)35)29-17-20(30-27(36)37-6-2)16-19-11-8-7-9-12-19/h18-23,29H,5-17H2,1-4H3,(H2,28,33)(H,30,36)(H,31,34)/t20-,21+,22-,23-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2109-14 (1999)

More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079822
PNG
(CHEMBL303059 | [(S)-1-((S)-1-{(S)-1-[((S)-1-Carbam...)
Show SMILES CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C25H39N5O6/c1-7-36-25(35)29-19(14-18-11-9-8-10-12-18)23(33)27-16(4)22(32)28-17(5)24(34)30(6)20(21(26)31)13-15(2)3/h8-12,15-17,19-20H,7,13-14H2,1-6H3,(H2,26,31)(H,27,33)(H,28,32)(H,29,35)/t16-,17-,19-,20-/m0/s1
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n/an/a 8.80E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2109-14 (1999)

More data for this
Ligand-Target Pair