BDBM50326702 (2S,5S,8S,11S,14S,17S,20S,23S)-23-(2-amino-3-(5-(dimethylamino)-1,3-dioxoisoindolin-2-yl)propanamido)-8,14-bis(4-aminobutyl)-11,17-bis(carboxymethyl)-2-(3-guanidinopropyl)-20-((R)-1-hydroxyethyl)-5-(hydroxymethyl)-4,7,10,13,16,19,22-heptaoxo-3,6,9,12,15,18,21-heptaazahexacosane-1,26-dioic acid::CHEMBL1253326
SMILES: [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#7]-1-[#6](=O)-c2ccc(cc2-[#6]-1=O)-[#7](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
InChI Key: InChIKey=ZUZFFRKHESXYBD-JKILKGSJSA-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)) | BDBM50326702 ((2S,5S,8S,11S,14S,17S,20S,23S)-23-(2-amino-3-(5-(d...) | 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 | >1.00E+4 | 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 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 |