Found 2 hits Enz. Inhib. hit(s) with Target = 'MHC class II antigen' and Ligand = 'BDBM50464581' 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)) | BDBM50464581
![PNG](/data/jpeg/tenK5046/BindingDB_50464581.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 | PDB MMDB
NCI pathway Reactome pathway
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50464581
![PNG](/data/jpeg/tenK5046/BindingDB_50464581.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 | PDB MMDB
NCI pathway Reactome pathway
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |