Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50029915   

Target/Host (Institution)	Ligand	Target/Host 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	pH	Temp °C
MHC class II antigen (Homo sapiens (Human))	BDBM50289286 (((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	PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50079824 (((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	PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/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 ((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	PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50289265 ((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	PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50289275 (((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	PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50289264 ((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	PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50289257 (((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	PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50289251 (((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	PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/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 (((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	PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50289283 (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	PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50289270 (CHEMBL80433 | [(S)-1-((S)-5-Amino-1-{(S)-1-[((S)-c...) 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](C(N)=O)c1ccccc1 Show InChI InChI=1S/C29H40N6O6/c1-3-41-29(40)34-23(18-20-12-6-4-7-13-20)28(39)33-22(16-10-11-17-30)27(38)32-19(2)26(37)35-24(25(31)36)21-14-8-5-9-15-21/h4-9,12-15,19,22-24H,3,10-11,16-18,30H2,1-2H3,(H2,31,36)(H,32,38)(H,33,39)(H,34,40)(H,35,37)/t19-,22-,23-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/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 (((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	PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50289256 (((S)-1-{(S)-1-[(S)-1-((S)-1,3-Dicarbamoyl-propylca...) 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](CCC(N)=O)C(N)=O Show InChI InChI=1S/C25H38N6O7/c1-5-38-25(37)30-18(13-16-9-7-6-8-10-16)23(35)31-20(14(2)3)24(36)28-15(4)22(34)29-17(21(27)33)11-12-19(26)32/h6-10,14-15,17-18,20H,5,11-13H2,1-4H3,(H2,26,32)(H2,27,33)(H,28,36)(H,29,34)(H,30,37)(H,31,35)/t15-,17-,18-,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50289282 (((R)-1-{(S)-1-[(S)-1-((S)-1-Carbamoyl-3-methyl-but...) Show SMILES CCOC(=O)N[C@H](Cc1cccnc1)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/C25H40N6O6/c1-7-37-25(36)30-19(12-17-9-8-10-27-13-17)23(34)31-20(15(4)5)24(35)28-16(6)22(33)29-18(21(26)32)11-14(2)3/h8-10,13-16,18-20H,7,11-12H2,1-6H3,(H2,26,32)(H,28,35)(H,29,33)(H,30,36)(H,31,34)/t16-,18-,19+,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50289284 ((S)-2-((S)-3-Carbamoyl-2-{(S)-2-[((R)-2-ethoxycarb...) Show SMILES CCOC(=O)N[C@H](C)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/C22H40N8O8/c1-6-38-22(37)27-12(4)19(34)30(5)14(8-7-9-26-21(24)25)18(33)28-13(10-15(23)31)17(32)29-16(11(2)3)20(35)36/h11-14,16H,6-10H2,1-5H3,(H2,23,31)(H,27,37)(H,28,33)(H,29,32)(H,35,36)(H4,24,25,26)/t12-,13+,14+,16+/m1/s1	PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50289262 (((S)-1-{(S)-5-Amino-1-[(S)-1-((S)-1,3-dicarbamoyl-...) 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](CCC(N)=O)C(N)=O Show InChI InChI=1S/C26H41N7O7/c1-3-40-26(39)33-20(15-17-9-5-4-6-10-17)25(38)32-19(11-7-8-14-27)24(37)30-16(2)23(36)31-18(22(29)35)12-13-21(28)34/h4-6,9-10,16,18-20H,3,7-8,11-15,27H2,1-2H3,(H2,28,34)(H2,29,35)(H,30,37)(H,31,36)(H,32,38)(H,33,39)/t16-,18-,19-,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50289281 (((R)-1-{(S)-1-[(S)-1-((S)-1-Carbamoyl-3-methyl-but...) Show SMILES CCOC(=O)N[C@H](CC(=O)c1ccccc1)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/C27H41N5O7/c1-7-39-27(38)31-20(14-21(33)18-11-9-8-10-12-18)25(36)32-22(16(4)5)26(37)29-17(6)24(35)30-19(23(28)34)13-15(2)3/h8-12,15-17,19-20,22H,7,13-14H2,1-6H3,(H2,28,34)(H,29,37)(H,30,35)(H,31,38)(H,32,36)/t17-,19-,20+,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50289290 ((S)-3-{(S)-2-[(S)-2-((S)-2-Ethoxycarbonylamino-3-p...) 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(O)=O)C(N)=O Show InChI InChI=1S/C24H35N5O8/c1-5-37-24(36)28-17(11-15-9-7-6-8-10-15)22(34)29-19(13(2)3)23(35)26-14(4)21(33)27-16(20(25)32)12-18(30)31/h6-10,13-14,16-17,19H,5,11-12H2,1-4H3,(H2,25,32)(H,26,35)(H,27,33)(H,28,36)(H,29,34)(H,30,31)/t14-,16-,17-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50289250 (((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)OCC1c2ccccc2-c2ccccc12)C(C)C)C(N)=O Show InChI InChI=1S/C38H47N5O6/c1-22(2)19-31(34(39)44)41-35(45)24(5)40-37(47)33(23(3)4)43-36(46)32(20-25-13-7-6-8-14-25)42-38(48)49-21-30-28-17-11-9-15-26(28)27-16-10-12-18-29(27)30/h6-18,22-24,30-33H,19-21H2,1-5H3,(H2,39,44)(H,40,47)(H,41,45)(H,42,48)(H,43,46)/t24-,31-,32-,33-/m0/s1	PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50289288 (((R)-3-Benzylsulfanyl-1-{1-[1-(1-carbamoyl-3-methy...) Show SMILES CCOC(=O)N[C@H](CCSCc1ccccc1)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/C28H45N5O6S/c1-7-39-28(38)32-21(13-14-40-16-20-11-9-8-10-12-20)26(36)33-23(18(4)5)27(37)30-19(6)25(35)31-22(24(29)34)15-17(2)3/h8-12,17-19,21-23H,7,13-16H2,1-6H3,(H2,29,34)(H,30,37)(H,31,35)(H,32,38)(H,33,36)/t19-,21+,22-,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50289254 (((S)-1-{(S)-1-[(S)-1-((S)-1-Carbamoyl-2-phenyl-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](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C29H39N5O6/c1-5-40-29(39)33-23(17-21-14-10-7-11-15-21)27(37)34-24(18(2)3)28(38)31-19(4)26(36)32-22(25(30)35)16-20-12-8-6-9-13-20/h6-15,18-19,22-24H,5,16-17H2,1-4H3,(H2,30,35)(H,31,38)(H,32,36)(H,33,39)(H,34,37)/t19-,22-,23-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50289263 (((R)-{(S)-1-[(S)-1-((S)-1-Carbamoyl-3-methyl-butyl...) Show SMILES CCOC(=O)N[C@@H](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)c1ccccc1 Show InChI InChI=1S/C25H39N5O6/c1-7-36-25(35)30-20(17-11-9-8-10-12-17)24(34)29-19(15(4)5)23(33)27-16(6)22(32)28-18(21(26)31)13-14(2)3/h8-12,14-16,18-20H,7,13H2,1-6H3,(H2,26,31)(H,27,33)(H,28,32)(H,29,34)(H,30,35)/t16-,18-,19-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/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