Found 30 hits with Last Name = 'woulfe' and Initial = 'sl' 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 |
|---|
HLA class II histocompatibility antigen, DR beta 3 chain
(Homo sapiens (Human)) | BDBM50287637
((S)-3-{(S)-2-[(S)-2-((S)-2-Acetylamino-3-naphthale...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cccc2ccccc12)NC(C)=O)[C@@H](C)O)C(N)=O Show InChI InChI=1S/C41H61N11O11/c1-20(2)17-29(34(42)57)50-40(63)33(23(5)53)52-36(59)22(4)47-38(61)31(19-32(55)56)51-35(58)21(3)46-37(60)28(15-10-16-45-41(43)44)49-39(62)30(48-24(6)54)18-26-13-9-12-25-11-7-8-14-27(25)26/h7-9,11-14,20-23,28-31,33,53H,10,15-19H2,1-6H3,(H2,42,57)(H,46,60)(H,47,61)(H,48,54)(H,49,62)(H,50,63)(H,51,58)(H,52,59)(H,55,56)(H4,43,44,45)/t21-,22-,23+,28-,29-,30-,31-,33-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to compete for binding to Class II MHC using ELISA assay. |
Bioorg Med Chem Lett 6: 1931-1936 (1996)
Article DOI: 10.1016/0960-894X(96)00348-4
BindingDB Entry DOI: 10.7270/Q2JM2B31 |
More data for this
Ligand-Target Pair | |
HLA class II histocompatibility antigen, DR beta 3 chain
(Homo sapiens (Human)) | BDBM50366440
(CHEMBL1790415 | SC-67655)Show SMILES CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)C[C@H](C)C1CCCCC1)C(C)C)[C@@H](C)O Show InChI InChI=1S/C37H62N6O9/c1-6-17-38-35(50)32(24(5)44)41-34(49)28-16-12-19-42(28)36(51)26(21-30(46)47)39-33(48)27-15-10-11-18-43(27)37(52)31(22(2)3)40-29(45)20-23(4)25-13-8-7-9-14-25/h22-28,31-32,44H,6-21H2,1-5H3,(H,38,50)(H,39,48)(H,40,45)(H,41,49)(H,46,47)/t23-,24+,26-,27-,28-,31-,32-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to compete for binding to Class II MHC using ELISA assay. |
Bioorg Med Chem Lett 6: 1931-1936 (1996)
Article DOI: 10.1016/0960-894X(96)00348-4
BindingDB Entry DOI: 10.7270/Q2JM2B31 |
More data for this
Ligand-Target Pair | |
HLA class II histocompatibility antigen, DR beta 3 chain
(Homo sapiens (Human)) | BDBM50287642
((S)-3-({1-[(S)-6-Amino-2-(3-bicyclo[2.2.1]hept-2-y...)Show SMILES CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCCN1C(=O)[C@H](CCCCN)NC(=O)CCC1CC2CCC1C2)[C@@H](C)O |TLB:43:44:50:48.47| Show InChI InChI=1S/C38H63N7O9/c1-3-17-40-36(52)33(23(2)46)43-35(51)30-11-8-19-45(30)38(54)28(22-32(48)49)42-34(50)29-10-5-7-18-44(29)37(53)27(9-4-6-16-39)41-31(47)15-14-26-21-24-12-13-25(26)20-24/h23-30,33,46H,3-22,39H2,1-2H3,(H,40,52)(H,41,47)(H,42,50)(H,43,51)(H,48,49)/t23-,24?,25?,26?,27+,28+,29+,30+,33+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to compete for binding to Class II MHC using ELISA assay. |
Bioorg Med Chem Lett 6: 1931-1936 (1996)
Article DOI: 10.1016/0960-894X(96)00348-4
BindingDB Entry DOI: 10.7270/Q2JM2B31 |
More data for this
Ligand-Target Pair | |
Tumor necrosis factor receptor superfamily member 10A
(Homo sapiens (Human)) | BDBM50287632
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its ability to compete for binding to DR4 using ELISA assay. |
Bioorg Med Chem Lett 6: 1931-1936 (1996)
Article DOI: 10.1016/0960-894X(96)00348-4
BindingDB Entry DOI: 10.7270/Q2JM2B31 |
More data for this
Ligand-Target Pair | |
HLA class II histocompatibility antigen, DR beta 3 chain
(Homo sapiens (Human)) | BDBM50366444
(CHEMBL1790402)Show SMILES CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCCN1C(=O)[C@H](CCCCN)NC(=O)C[C@H](C)C1CCCCC1)[C@@H](C)O Show InChI InChI=1S/C38H65N7O9/c1-4-19-40-36(52)33(25(3)46)43-35(51)30-17-12-21-45(30)38(54)28(23-32(48)49)42-34(50)29-16-9-11-20-44(29)37(53)27(15-8-10-18-39)41-31(47)22-24(2)26-13-6-5-7-14-26/h24-30,33,46H,4-23,39H2,1-3H3,(H,40,52)(H,41,47)(H,42,50)(H,43,51)(H,48,49)/t24-,25+,27-,28-,29-,30-,33-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to compete for binding to Class II MHC using ELISA assay. |
Bioorg Med Chem Lett 6: 1931-1936 (1996)
Article DOI: 10.1016/0960-894X(96)00348-4
BindingDB Entry DOI: 10.7270/Q2JM2B31 |
More data for this
Ligand-Target Pair | |
HLA class II histocompatibility antigen, DR beta 3 chain
(Homo sapiens (Human)) | BDBM50287650
((S)-3-({1-[2-Cyclohexyl-2-((R)-3-cyclohexyl-butyry...)Show SMILES CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)CCC1CCCCC1)C(C)C)[C@@H](C)O Show InChI InChI=1S/C36H60N6O9/c1-5-18-37-34(49)31(23(4)43)40-33(48)27-15-11-20-41(27)35(50)25(21-29(45)46)38-32(47)26-14-9-10-19-42(26)36(51)30(22(2)3)39-28(44)17-16-24-12-7-6-8-13-24/h22-27,30-31,43H,5-21H2,1-4H3,(H,37,49)(H,38,47)(H,39,44)(H,40,48)(H,45,46)/t23-,25+,26+,27+,30+,31+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to compete for binding to Class II MHC using ELISA assay. |
Bioorg Med Chem Lett 6: 1931-1936 (1996)
Article DOI: 10.1016/0960-894X(96)00348-4
BindingDB Entry DOI: 10.7270/Q2JM2B31 |
More data for this
Ligand-Target Pair | |
HLA class II histocompatibility antigen, DR beta 3 chain
(Homo sapiens (Human)) | BDBM50287636
((S)-3-({1-[(S)-6-Amino-2-((S)-3-cyclohexyl-butyryl...)Show SMILES CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCCN1C(=O)[C@H](CCCCN)NC(=O)C[C@@H](C)C1CCCCC1)[C@@H](C)O Show InChI InChI=1S/C38H65N7O9/c1-4-19-40-36(52)33(25(3)46)43-35(51)30-17-12-21-45(30)38(54)28(23-32(48)49)42-34(50)29-16-9-11-20-44(29)37(53)27(15-8-10-18-39)41-31(47)22-24(2)26-13-6-5-7-14-26/h24-30,33,46H,4-23,39H2,1-3H3,(H,40,52)(H,41,47)(H,42,50)(H,43,51)(H,48,49)/t24-,25-,27+,28+,29+,30+,33+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 162 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to compete for binding to Class II MHC using ELISA assay. |
Bioorg Med Chem Lett 6: 1931-1936 (1996)
Article DOI: 10.1016/0960-894X(96)00348-4
BindingDB Entry DOI: 10.7270/Q2JM2B31 |
More data for this
Ligand-Target Pair | |
HLA class II histocompatibility antigen, DR beta 3 chain
(Homo sapiens (Human)) | BDBM50287628
((S)-3-({1-[(S)-2-(3-Cyclohexyl-propionylamino)-3-m...)Show SMILES CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)C[C@H](C)C1CCCCC1)C1CCCCC1)[C@@H](C)O Show InChI InChI=1S/C40H66N6O9/c1-4-20-41-38(53)34(26(3)47)44-37(52)31-19-13-22-45(31)39(54)29(24-33(49)50)42-36(51)30-18-11-12-21-46(30)40(55)35(28-16-9-6-10-17-28)43-32(48)23-25(2)27-14-7-5-8-15-27/h25-31,34-35,47H,4-24H2,1-3H3,(H,41,53)(H,42,51)(H,43,48)(H,44,52)(H,49,50)/t25-,26+,29-,30-,31-,34-,35-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to compete for binding to Class II MHC using ELISA assay. |
Bioorg Med Chem Lett 6: 1931-1936 (1996)
Article DOI: 10.1016/0960-894X(96)00348-4
BindingDB Entry DOI: 10.7270/Q2JM2B31 |
More data for this
Ligand-Target Pair | |
HLA class II histocompatibility antigen, DR beta 3 chain
(Homo sapiens (Human)) | BDBM50366439
(CHEMBL1793835)Show SMILES CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)C1Cc2ccccc2CN1C(=O)[C@H](CCCCN)NC(=O)C[C@H](C)C1CCCCC1)[C@@H](C)O Show InChI InChI=1S/C42H65N7O9/c1-4-20-44-40(56)37(27(3)50)47-38(54)33-18-12-21-48(33)42(58)32(24-36(52)53)46-39(55)34-23-29-15-8-9-16-30(29)25-49(34)41(57)31(17-10-11-19-43)45-35(51)22-26(2)28-13-6-5-7-14-28/h8-9,15-16,26-28,31-34,37,50H,4-7,10-14,17-25,43H2,1-3H3,(H,44,56)(H,45,51)(H,46,55)(H,47,54)(H,52,53)/t26-,27+,31-,32-,33-,34?,37-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 178 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to compete for binding to Class II MHC using ELISA assay. |
Bioorg Med Chem Lett 6: 1931-1936 (1996)
Article DOI: 10.1016/0960-894X(96)00348-4
BindingDB Entry DOI: 10.7270/Q2JM2B31 |
More data for this
Ligand-Target Pair | |
HLA class II histocompatibility antigen, DR beta 3 chain
(Homo sapiens (Human)) | BDBM50366439
(CHEMBL1793835)Show SMILES CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)C1Cc2ccccc2CN1C(=O)[C@H](CCCCN)NC(=O)C[C@H](C)C1CCCCC1)[C@@H](C)O Show InChI InChI=1S/C42H65N7O9/c1-4-20-44-40(56)37(27(3)50)47-38(54)33-18-12-21-48(33)42(58)32(24-36(52)53)46-39(55)34-23-29-15-8-9-16-30(29)25-49(34)41(57)31(17-10-11-19-43)45-35(51)22-26(2)28-13-6-5-7-14-28/h8-9,15-16,26-28,31-34,37,50H,4-7,10-14,17-25,43H2,1-3H3,(H,44,56)(H,45,51)(H,46,55)(H,47,54)(H,52,53)/t26-,27+,31-,32-,33-,34?,37-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 178 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to compete for binding to Class II MHC using ELISA assay. |
Bioorg Med Chem Lett 6: 1931-1936 (1996)
Article DOI: 10.1016/0960-894X(96)00348-4
BindingDB Entry DOI: 10.7270/Q2JM2B31 |
More data for this
Ligand-Target Pair | |
HLA class II histocompatibility antigen, DR beta 3 chain
(Homo sapiens (Human)) | BDBM50287630
((S)-3-({1-[(S)-6-Amino-2-(3-cycloheptyl-propionyla...)Show SMILES CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCCN1C(=O)[C@H](CCCCN)NC(=O)CCC1CCCCCC1)[C@@H](C)O Show InChI InChI=1S/C38H65N7O9/c1-3-21-40-36(52)33(25(2)46)43-35(51)30-17-12-23-45(30)38(54)28(24-32(48)49)42-34(50)29-16-9-11-22-44(29)37(53)27(15-8-10-20-39)41-31(47)19-18-26-13-6-4-5-7-14-26/h25-30,33,46H,3-24,39H2,1-2H3,(H,40,52)(H,41,47)(H,42,50)(H,43,51)(H,48,49)/t25-,27+,28+,29+,30+,33+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 178 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to compete for binding to Class II MHC using ELISA assay. |
Bioorg Med Chem Lett 6: 1931-1936 (1996)
Article DOI: 10.1016/0960-894X(96)00348-4
BindingDB Entry DOI: 10.7270/Q2JM2B31 |
More data for this
Ligand-Target Pair | |
HLA class II histocompatibility antigen, DR beta 3 chain
(Homo sapiens (Human)) | BDBM50287626
((S)-2-((2S,3R)-2-{(S)-2-[(S)-2-((S)-2-{(S)-2-[(S)-...)Show SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C38H63N11O10S/c1-19(2)17-28(31(39)53)48-37(59)30(22(5)50)49-33(55)21(4)44-35(57)27(14-16-60-7)46-32(54)20(3)43-34(56)26(9-8-15-42-38(40)41)47-36(58)29(45-23(6)51)18-24-10-12-25(52)13-11-24/h10-13,19-22,26-30,50,52H,8-9,14-18H2,1-7H3,(H2,39,53)(H,43,56)(H,44,57)(H,45,51)(H,46,54)(H,47,58)(H,48,59)(H,49,55)(H4,40,41,42)/t20-,21-,22+,26-,27-,28-,29-,30-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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
Ability to compete for binding to Class II MHC using ELISA assay. |
Bioorg Med Chem Lett 6: 1931-1936 (1996)
Article DOI: 10.1016/0960-894X(96)00348-4
BindingDB Entry DOI: 10.7270/Q2JM2B31 |
More data for this
Ligand-Target Pair | |
HLA class II histocompatibility antigen, DR beta 3 chain
(Homo sapiens (Human)) | BDBM50287640
(1-[(S)-2-((R)-3-Cyclohexyl-butyrylamino)-3-methyl-...)Show SMILES CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)C[C@H](C)C1CCCCC1)C(C)C)[C@@H](C)O Show InChI InChI=1S/C38H66N6O7S/c1-7-19-39-36(49)33(26(5)45)42-35(48)30-17-13-21-43(30)37(50)28(18-22-52-6)40-34(47)29-16-11-12-20-44(29)38(51)32(24(2)3)41-31(46)23-25(4)27-14-9-8-10-15-27/h24-30,32-33,45H,7-23H2,1-6H3,(H,39,49)(H,40,47)(H,41,46)(H,42,48)/t25-,26+,28-,29-,30-,32-,33-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 293 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to compete for binding to Class II MHC using ELISA assay. |
Bioorg Med Chem Lett 6: 1931-1936 (1996)
Article DOI: 10.1016/0960-894X(96)00348-4
BindingDB Entry DOI: 10.7270/Q2JM2B31 |
More data for this
Ligand-Target Pair | |
HLA class II histocompatibility antigen, DR beta 3 chain
(Homo sapiens (Human)) | BDBM50287649
((S)-3-({1-[2-((R)-3-Cyclohexyl-butyrylamino)-2-phe...)Show SMILES CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)C[C@H](C)C1CCCCC1)c1ccccc1)[C@@H](C)O Show InChI InChI=1S/C40H60N6O9/c1-4-20-41-38(53)34(26(3)47)44-37(52)31-19-13-22-45(31)39(54)29(24-33(49)50)42-36(51)30-18-11-12-21-46(30)40(55)35(28-16-9-6-10-17-28)43-32(48)23-25(2)27-14-7-5-8-15-27/h6,9-10,16-17,25-27,29-31,34-35,47H,4-5,7-8,11-15,18-24H2,1-3H3,(H,41,53)(H,42,51)(H,43,48)(H,44,52)(H,49,50)/t25-,26+,29-,30-,31-,34-,35-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 424 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to compete for binding to Class II MHC using ELISA assay. |
Bioorg Med Chem Lett 6: 1931-1936 (1996)
Article DOI: 10.1016/0960-894X(96)00348-4
BindingDB Entry DOI: 10.7270/Q2JM2B31 |
More data for this
Ligand-Target Pair | |
Tumor necrosis factor receptor superfamily member 10A
(Homo sapiens (Human)) | BDBM50287645
(1-[(S)-2-(3-Cyclohexyl-propionylamino)-3-methyl-bu...)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)CCC1CCCCC1)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C41H71N7O8/c1-7-8-17-29(40(55)47-23-14-19-32(47)38(53)46-35(27(6)49)39(54)44-30(36(42)51)24-25(2)3)43-37(52)31-18-12-13-22-48(31)41(56)34(26(4)5)45-33(50)21-20-28-15-10-9-11-16-28/h25-32,34-35,49H,7-24H2,1-6H3,(H2,42,51)(H,43,52)(H,44,54)(H,45,50)(H,46,53)/t27-,29+,30+,31+,32+,34+,35+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 755 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its ability to compete for binding to DR4 using ELISA assay. |
Bioorg Med Chem Lett 6: 1931-1936 (1996)
Article DOI: 10.1016/0960-894X(96)00348-4
BindingDB Entry DOI: 10.7270/Q2JM2B31 |
More data for this
Ligand-Target Pair | |
HLA class II histocompatibility antigen, DR beta 3 chain
(Homo sapiens (Human)) | BDBM50287646
((S)-3-({1-[(2S,3R)-2-((R)-3-Cyclohexyl-butyrylamin...)Show SMILES CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)C[C@H](C)C1CCCCC1)[C@@H](C)O)[C@@H](C)O Show InChI InChI=1S/C36H60N6O10/c1-5-16-37-34(50)30(22(3)43)40-33(49)27-15-11-18-41(27)35(51)25(20-29(46)47)38-32(48)26-14-9-10-17-42(26)36(52)31(23(4)44)39-28(45)19-21(2)24-12-7-6-8-13-24/h21-27,30-31,43-44H,5-20H2,1-4H3,(H,37,50)(H,38,48)(H,39,45)(H,40,49)(H,46,47)/t21-,22+,23+,25-,26-,27-,30-,31-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to compete for binding to Class II MHC using ELISA assay. |
Bioorg Med Chem Lett 6: 1931-1936 (1996)
Article DOI: 10.1016/0960-894X(96)00348-4
BindingDB Entry DOI: 10.7270/Q2JM2B31 |
More data for this
Ligand-Target Pair | |
HLA class II histocompatibility antigen, DR beta 3 chain
(Homo sapiens (Human)) | BDBM50366443
(CHEMBL1790407)Show SMILES CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCCCN)NC(=O)C[C@H](C)C1CCCCC1)[C@@H](C)O Show InChI InChI=1S/C36H63N7O9/c1-6-18-38-34(50)31(24(4)44)41-33(49)28-16-12-19-43(28)36(52)27(21-30(46)47)40-32(48)23(3)42(5)35(51)26(15-10-11-17-37)39-29(45)20-22(2)25-13-8-7-9-14-25/h22-28,31,44H,6-21,37H2,1-5H3,(H,38,50)(H,39,45)(H,40,48)(H,41,49)(H,46,47)/t22-,23-,24+,26-,27-,28-,31-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to compete for binding to Class II MHC using ELISA assay. |
Bioorg Med Chem Lett 6: 1931-1936 (1996)
Article DOI: 10.1016/0960-894X(96)00348-4
BindingDB Entry DOI: 10.7270/Q2JM2B31 |
More data for this
Ligand-Target Pair | |
HLA class II histocompatibility antigen, DR beta 3 chain
(Homo sapiens (Human)) | BDBM50366441
(CHEMBL1790416)Show SMILES CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C[C@H](C)C1CCCCC1)[C@@H](C)O Show InChI InChI=1S/C37H63N7O9/c1-4-18-39-35(51)32(24(3)45)42-34(50)29-16-11-20-44(29)37(53)27(22-31(47)48)41-33(49)28-15-10-19-43(28)36(52)26(14-8-9-17-38)40-30(46)21-23(2)25-12-6-5-7-13-25/h23-29,32,45H,4-22,38H2,1-3H3,(H,39,51)(H,40,46)(H,41,49)(H,42,50)(H,47,48)/t23-,24+,26-,27-,28-,29-,32-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to compete for binding to Class II MHC using ELISA assay. |
Bioorg Med Chem Lett 6: 1931-1936 (1996)
Article DOI: 10.1016/0960-894X(96)00348-4
BindingDB Entry DOI: 10.7270/Q2JM2B31 |
More data for this
Ligand-Target Pair | |
HLA class II histocompatibility antigen, DR beta 3 chain
(Homo sapiens (Human)) | BDBM50287643
((S)-3-({1-[(S)-2-(3-Cyclohexyl-propionylamino)-3-(...)Show SMILES CC(C)CCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCC1CCCCC1)[C@@H](C)O Show InChI InChI=1S/C39H62N8O9/c1-24(2)16-17-41-37(54)34(25(3)48)45-36(53)31-13-9-19-47(31)39(56)29(21-33(50)51)44-35(52)30-12-7-8-18-46(30)38(55)28(20-27-22-40-23-42-27)43-32(49)15-14-26-10-5-4-6-11-26/h22-26,28-31,34,48H,4-21H2,1-3H3,(H,40,42)(H,41,54)(H,43,49)(H,44,52)(H,45,53)(H,50,51)/t25-,28+,29+,30+,31+,34+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to compete for binding to Class II MHC using ELISA assay. |
Bioorg Med Chem Lett 6: 1931-1936 (1996)
Article DOI: 10.1016/0960-894X(96)00348-4
BindingDB Entry DOI: 10.7270/Q2JM2B31 |
More data for this
Ligand-Target Pair | |
Tumor necrosis factor receptor superfamily member 10A
(Homo sapiens (Human)) | BDBM50287634
((S)-4-[(S)-2-((1S,2R)-1-Carbamoyl-2-hydroxy-propyl...)Show SMILES CC(C)[C@H](NC(=O)C[C@H](C)C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(N)=O Show InChI InChI=1S/C34H56N6O9/c1-19(2)28(37-26(42)17-20(3)22-11-6-5-7-12-22)34(49)40-15-9-8-13-24(40)31(46)36-23(18-27(43)44)33(48)39-16-10-14-25(39)32(47)38-29(21(4)41)30(35)45/h19-25,28-29,41H,5-18H2,1-4H3,(H2,35,45)(H,36,46)(H,37,42)(H,38,47)(H,43,44)/t20-,21+,23-,24-,25-,28-,29-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its ability to compete for binding to DR4 using ELISA assay. |
Bioorg Med Chem Lett 6: 1931-1936 (1996)
Article DOI: 10.1016/0960-894X(96)00348-4
BindingDB Entry DOI: 10.7270/Q2JM2B31 |
More data for this
Ligand-Target Pair | |
HLA class II histocompatibility antigen, DR beta 3 chain
(Homo sapiens (Human)) | BDBM50287652
(3-({(S)-1-[2-(3-Cyclohexyl-butyrylamino)-3-methyl-...)Show SMILES CC(C)[C@H](NC(=O)C[C@H](C)C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CO)[C@@H](C)O Show InChI InChI=1S/C34H57N5O9/c1-20(2)30(37-28(42)17-21(3)23-11-6-5-7-12-23)34(48)39-15-9-8-13-26(39)31(45)35-24(18-29(43)44)33(47)38-16-10-14-27(38)32(46)36-25(19-40)22(4)41/h20-27,30,40-41H,5-19H2,1-4H3,(H,35,45)(H,36,46)(H,37,42)(H,43,44)/t21-,22+,24-,25+,26-,27-,30-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to compete for binding to Class II MHC using ELISA assay. |
Bioorg Med Chem Lett 6: 1931-1936 (1996)
Article DOI: 10.1016/0960-894X(96)00348-4
BindingDB Entry DOI: 10.7270/Q2JM2B31 |
More data for this
Ligand-Target Pair | |
HLA class II histocompatibility antigen, DR beta 3 chain
(Homo sapiens (Human)) | BDBM50287633
(3-({(S)-(S)-1-[2-((S)-3-Cyclohexyl-butyrylamino)-6...)Show SMILES CCCCCCCCCC(=O)NCCCC[C@H](NC(=O)C[C@@H](C)C1CCCCC1)C(=O)N1CCCCC1C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC Show InChI InChI=1S/C48H83N7O10/c1-5-7-8-9-10-11-15-26-40(57)49-28-18-16-23-36(51-41(58)31-33(3)35-21-13-12-14-22-35)47(64)54-29-19-17-24-38(54)44(61)52-37(32-42(59)60)48(65)55-30-20-25-39(55)45(62)53-43(34(4)56)46(63)50-27-6-2/h33-39,43,56H,5-32H2,1-4H3,(H,49,57)(H,50,63)(H,51,58)(H,52,61)(H,53,62)(H,59,60)/t33-,34-,36+,37+,38?,39+,43+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to compete for binding to Class II MHC using ELISA assay. |
Bioorg Med Chem Lett 6: 1931-1936 (1996)
Article DOI: 10.1016/0960-894X(96)00348-4
BindingDB Entry DOI: 10.7270/Q2JM2B31 |
More data for this
Ligand-Target Pair | |
HLA class II histocompatibility antigen, DR beta 3 chain
(Homo sapiens (Human)) | BDBM50366442
(CHEMBL1790414)Show SMILES CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C[C@H](C)C1CCCCC1)[C@@H](C)O Show InChI InChI=1S/C38H65N7O9/c1-4-19-40-36(52)33(25(3)46)43-35(51)29-16-9-11-20-44(29)38(54)28(23-32(48)49)42-34(50)30-17-12-21-45(30)37(53)27(15-8-10-18-39)41-31(47)22-24(2)26-13-6-5-7-14-26/h24-30,33,46H,4-23,39H2,1-3H3,(H,40,52)(H,41,47)(H,42,50)(H,43,51)(H,48,49)/t24-,25+,27-,28-,29-,30-,33-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to compete for binding to Class II MHC using ELISA assay. |
Bioorg Med Chem Lett 6: 1931-1936 (1996)
Article DOI: 10.1016/0960-894X(96)00348-4
BindingDB Entry DOI: 10.7270/Q2JM2B31 |
More data for this
Ligand-Target Pair | |
HLA class II histocompatibility antigen, DR beta 3 chain
(Homo sapiens (Human)) | BDBM50287654
((S)-4-((S)-2-Carbamoyl-pyrrolidin-1-yl)-3-({1-[(S)...)Show SMILES CC(C)[C@H](NC(=O)C[C@H](C)C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(N)=O Show InChI InChI=1S/C30H49N5O7/c1-18(2)26(33-24(36)16-19(3)20-10-5-4-6-11-20)30(42)35-14-8-7-12-23(35)28(40)32-21(17-25(37)38)29(41)34-15-9-13-22(34)27(31)39/h18-23,26H,4-17H2,1-3H3,(H2,31,39)(H,32,40)(H,33,36)(H,37,38)/t19-,21-,22-,23-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to compete for binding to Class II MHC using ELISA assay. |
Bioorg Med Chem Lett 6: 1931-1936 (1996)
Article DOI: 10.1016/0960-894X(96)00348-4
BindingDB Entry DOI: 10.7270/Q2JM2B31 |
More data for this
Ligand-Target Pair | |
HLA class II histocompatibility antigen, DR beta 3 chain
(Homo sapiens (Human)) | BDBM50287653
(1-[(S)-2-((R)-3-Cyclohexyl-butyrylamino)-3-methyl-...)Show SMILES CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC#C)NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)C[C@H](C)C1CCCCC1)C(C)C)[C@@H](C)O Show InChI InChI=1S/C38H62N6O7/c1-7-15-28(37(50)43-22-14-19-30(43)35(48)42-33(26(6)45)36(49)39-20-8-2)40-34(47)29-18-12-13-21-44(29)38(51)32(24(3)4)41-31(46)23-25(5)27-16-10-9-11-17-27/h1,24-30,32-33,45H,8-23H2,2-6H3,(H,39,49)(H,40,47)(H,41,46)(H,42,48)/t25-,26+,28-,29-,30-,32-,33-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4.37E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to compete for binding to Class II MHC using ELISA assay. |
Bioorg Med Chem Lett 6: 1931-1936 (1996)
Article DOI: 10.1016/0960-894X(96)00348-4
BindingDB Entry DOI: 10.7270/Q2JM2B31 |
More data for this
Ligand-Target Pair | |
HLA class II histocompatibility antigen, DR beta 3 chain
(Homo sapiens (Human)) | BDBM50287629
((S)-4-[(S)-2-((S)-2-Amino-1-propylcarbamoyl-ethylc...)Show SMILES CCCNC(=O)[C@H](CN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)C[C@H](C)C1CCCCC1)C(C)C Show InChI InChI=1S/C36H61N7O8/c1-5-16-38-32(47)26(21-37)40-34(49)28-15-11-18-42(28)35(50)25(20-30(45)46)39-33(48)27-14-9-10-17-43(27)36(51)31(22(2)3)41-29(44)19-23(4)24-12-7-6-8-13-24/h22-28,31H,5-21,37H2,1-4H3,(H,38,47)(H,39,48)(H,40,49)(H,41,44)(H,45,46)/t23-,25-,26-,27-,28-,31-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to compete for binding to Class II MHC using ELISA assay. |
Bioorg Med Chem Lett 6: 1931-1936 (1996)
Article DOI: 10.1016/0960-894X(96)00348-4
BindingDB Entry DOI: 10.7270/Q2JM2B31 |
More data for this
Ligand-Target Pair | |
HLA class II histocompatibility antigen, DR beta 3 chain
(Homo sapiens (Human)) | BDBM50287644
(1-[(S)-2-(2-Cyclohexylamino-acetylamino)-3-methyl-...)Show SMILES CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)CNC1CCCCC1)C(C)C)[C@@H](C)O Show InChI InChI=1S/C36H63N7O7S/c1-6-18-37-34(48)31(24(4)44)41-33(47)28-16-12-20-42(28)35(49)26(17-21-51-5)39-32(46)27-15-10-11-19-43(27)36(50)30(23(2)3)40-29(45)22-38-25-13-8-7-9-14-25/h23-28,30-31,38,44H,6-22H2,1-5H3,(H,37,48)(H,39,46)(H,40,45)(H,41,47)/t24-,26+,27+,28+,30+,31+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to compete for binding to Class II MHC using ELISA assay. |
Bioorg Med Chem Lett 6: 1931-1936 (1996)
Article DOI: 10.1016/0960-894X(96)00348-4
BindingDB Entry DOI: 10.7270/Q2JM2B31 |
More data for this
Ligand-Target Pair | |
HLA class II histocompatibility antigen, DR beta 3 chain
(Homo sapiens (Human)) | BDBM50287639
((S)-3-({1-[(S)-6-Amino-2-(4-cyclohexyl-heptanoylam...)Show SMILES CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCCN1C(=O)[C@H](CCCCN)NC(=O)CCC(CCC)C1CCCCC1)[C@@H](C)O Show InChI InChI=1S/C41H71N7O9/c1-4-14-28(29-15-7-6-8-16-29)20-21-34(50)44-30(17-9-11-22-42)40(56)47-24-12-10-18-32(47)37(53)45-31(26-35(51)52)41(57)48-25-13-19-33(48)38(54)46-36(27(3)49)39(55)43-23-5-2/h27-33,36,49H,4-26,42H2,1-3H3,(H,43,55)(H,44,50)(H,45,53)(H,46,54)(H,51,52)/t27-,28?,30+,31+,32+,33+,36+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to compete for binding to Class II MHC using ELISA assay. |
Bioorg Med Chem Lett 6: 1931-1936 (1996)
Article DOI: 10.1016/0960-894X(96)00348-4
BindingDB Entry DOI: 10.7270/Q2JM2B31 |
More data for this
Ligand-Target Pair | |
HLA class II histocompatibility antigen, DR beta 3 chain
(Homo sapiens (Human)) | BDBM50287635
(1-[(S)-2-(3-Cyclohexyl-propionylamino)-3-(3H-imida...)Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC(C)C Show InChI InChI=1S/C41H68N8O7/c1-5-6-15-31(40(55)49-23-12-17-34(49)38(53)47-36(28(4)50)39(54)43-21-20-27(2)3)46-37(52)33-16-10-11-22-48(33)41(56)32(24-30-25-42-26-44-30)45-35(51)19-18-29-13-8-7-9-14-29/h25-29,31-34,36,50H,5-24H2,1-4H3,(H,42,44)(H,43,54)(H,45,51)(H,46,52)(H,47,53)/t28-,31+,32+,33+,34+,36+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to compete for binding to Class II MHC using ELISA assay. |
Bioorg Med Chem Lett 6: 1931-1936 (1996)
Article DOI: 10.1016/0960-894X(96)00348-4
BindingDB Entry DOI: 10.7270/Q2JM2B31 |
More data for this
Ligand-Target Pair | |
HLA class II histocompatibility antigen, DR beta 3 chain
(Homo sapiens (Human)) | BDBM50287631
(3-({1-[(S)-2-((R)-3-Cyclohexyl-butyrylamino)-3-met...)Show SMILES CC(C)[C@H](NC(=O)C[C@@H](C)C1CCCCC1)C(=O)N1CCCCC1C(=O)NCCC(O)=O Show InChI InChI=1S/C24H41N3O5/c1-16(2)22(26-20(28)15-17(3)18-9-5-4-6-10-18)24(32)27-14-8-7-11-19(27)23(31)25-13-12-21(29)30/h16-19,22H,4-15H2,1-3H3,(H,25,31)(H,26,28)(H,29,30)/t17-,19?,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to compete for binding to Class II MHC using ELISA assay. |
Bioorg Med Chem Lett 6: 1931-1936 (1996)
Article DOI: 10.1016/0960-894X(96)00348-4
BindingDB Entry DOI: 10.7270/Q2JM2B31 |
More data for this
Ligand-Target Pair | |
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