BDBM50326703 (5S,8S,11S,14S,17S,20S,23S,26S,29S)-5-acetamido-1-(2-carboxy-4-(dimethylamino)phenyl)-8-(3-guanidinopropyl)-11-(hydroxymethyl)-17,20,23,26,31-pentamethyl-14-(2-(methylthio)ethyl)-2,6,9,12,15,18,21,24,27-nonaoxo-3,7,10,13,16,19,22,25,28-nonaazadotriacontane-29-carboxylic acid::CHEMBL1253327
SMILES: [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)-[#6]-c1ccc(cc1-[#6](-[#8])=O)-[#7](-[#6])-[#6])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O
InChI Key: InChIKey=CFIQOGTVKHTRJT-YJQLAELQSA-N
Data: 1 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HLA class II histocompatibility antigen DRB1-1 (Homo sapiens (Human)) | BDBM50326703 ((5S,8S,11S,14S,17S,20S,23S,26S,29S)-5-acetamido-1-...) | PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts Medical School Curated by ChEMBL | Assay Description Displacement of biotin-HA from recombinant soluble HLA-DR1 expressed in human T2 cells at acidic pH by ELISA | Nat Chem Biol 3: 222-8 (2007) Article DOI: 10.1038/nchembio868 BindingDB Entry DOI: 10.7270/Q2HT2PJR | |||||||||||
More data for this Ligand-Target Pair |