null
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
InChI Key: InChIKey=FJFPGDXPRWHTPR-HDQYJMDWSA-N
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
MHC class II antigen (Homo sapiens (Human)) | BDBM50464580 (CHEMBL4277461) | PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | KEGG PC cid PC sid UniChem | Article PubMed | n/a | n/a | 87 | 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 | |||||||||||||
MHC class II antigen (Homo sapiens (Human)) | BDBM50464580 (CHEMBL4277461) | PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | KEGG PC cid PC sid UniChem | Article PubMed | n/a | n/a | 13 | 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 |