Reaction Details Report a problem with these data
Target
Aryl hydrocarbon receptor
Ligand
BDBM50506040
Substrate
n/a
Meas. Tech.
ChEMBL_1824676 (CHEMBL4324440)
IC50
2.6±n/a nM
Citation
 Dolciami, D; Ballarotto, M; Gargaro, M; López-Cara, LC; Fallarino, F; Macchiarulo, A Targeting Aryl hydrocarbon receptor for next-generation immunotherapies: Selective modulators (SAhRMs) versus rapidly metabolized ligands (RMAhRLs). Eur J Med Chem 185:0 (2020) [PubMed]  Article 
Target
Name:
Aryl hydrocarbon receptor
Synonyms:
AHR | AHR_HUMAN | BHLHE76 | Class E basic helix-loop-helix protein 76 | aryl hydrocarbon receptor precursor
Type:
PROTEIN
Mol. Mass.:
96143.77
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1503828
Residue:
848
Sequence:
MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVALKSSPTERNGGQDNCRAANFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCTESGQGIEEATGLPQTVVCYNPDQIPPENSPLMERCFICRLRCLLDNSSGFLAMNFQGKLKYLHGQKKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPIGCDAKGRIVLGYTEAELCTRGSGYQFIHAADMLYCAESHIRMIKTGESGMIVFRLLTKNNRWTWVQSNARLLYKNGRPDYIIVTQRPLTDEEGTEHLRKRNTKLPFMFTTGEAVLYEATNPFPAIMDPLPLRTKNGTSGKDSATTSTLSKDSLNPSSLLAAMMQQDESIYLYPASSTSSTAPFENNFFNESMNECRNWQDNTAPMGNDTILKHEQIDQPQDVNSFAGGHPGLFQDSKNSDLYSIMKNLGIDFEDIRHMQNEKFFRNDFSGEVDFRDIDLTDEILTYVQDSLSKSPFIPSDYQQQQSLALNSSCMVQEHLHLEQQQQHHQKQVVVEPQQQLCQKMKHMQVNGMFENWNSNQFVPFNCPQQDPQQYNVFTDLHGISQEFPYKSEMDSMPYTQNFISCNQPVLPQHSKCTELDYPMGSFEPSPYPTTSSLEDFVTCLQLPENQKHGLNPQSAIITPQTCYAGAVSMYQCQPEPQHTHVGQMQYNPVLPGQQAFLNKFQNGVLNETYPAELNNINNTQTTTHLQPLHHPSEARPFPDLTSSGFL
  
Inhibitor
Name:
BDBM50506040
Synonyms:
CHEMBL4536502
Type:
Small organic molecule
Emp. Form.:
C18H9ClN2O
Mol. Mass.:
304.73
SMILES:
Clc1ccc2nc3c4cccc5cccc(c45)c(=O)n3c2c1
Structure:
Search PDB for entries with ligand similarity: