BDBM50326704 (4S,7S,10S,13S,16S,19S,22S,25S,28S)-4-acetamido-1-(3-carboxy-7-(dimethylamino)naphthalen-2-yl)-7-(3-guanidinopropyl)-10-(hydroxymethyl)-16,19,22,25,30-pentamethyl-13-(2-(methylthio)ethyl)-1,5,8,11,14,17,20,23,26-nonaoxo-2,6,9,12,15,18,21,24,27-nonaazahentriacontane-28-carboxylic acid::CHEMBL1253321
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)-c1cc2cc(ccc2cc1-[#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=VQDVIMZHWHHIRU-SYCXMYCVSA-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)) | BDBM50326704 ((4S,7S,10S,13S,16S,19S,22S,25S,28S)-4-acetamido-1-...) | PDB MMDB NCI pathway Reactome pathway UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 27 | 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 |