Reaction Details Report a problem with these data
Target
Aryl hydrocarbon receptor
Ligand
BDBM75530
Substrate
n/a
Meas. Tech.
Luminescence-based cell-based high throughput dose response assay for activators of the Aryl Hydrocarbon Receptor (AHR)
EC50
22.2±n/a nM
Citation
 PubChem, PC Luminescence-based cell-based high throughput dose response assay for activators of the Aryl Hydrocarbon Receptor (AHR) PubChem Bioassay (2010)[AID] 
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:
BDBM75530
Synonyms:
MLS001200027 | N-(4-chlorophenyl)-4-methyl-2-(methylthio)-5-pyrimidinecarboxamide | N-(4-chlorophenyl)-4-methyl-2-(methylthio)pyrimidine-5-carboxamide | N-(4-chlorophenyl)-4-methyl-2-methylsulfanyl-pyrimidine-5-carboxamide | N-(4-chlorophenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide | SMR000563752 | cid_20899656
Type:
Small organic molecule
Emp. Form.:
C13H12ClN3OS
Mol. Mass.:
293.772
SMILES:
CSc1ncc(C(=O)Nc2ccc(Cl)cc2)c(C)n1
Structure:
Search PDB for entries with ligand similarity: