Reaction Details Report a problem with these data
Target
Aryl hydrocarbon receptor
Ligand
BDBM50408294
Substrate
n/a
Meas. Tech.
ChEMBL_36196 (CHEMBL649365)
EC50
1100±n/a nM
Citation
 So, SS; Karplus, M Three-dimensional quantitative structure-activity relationships from molecular similarity matrices and genetic neural networks. 2. Applications. J Med Chem 40:4360-71 (1998) [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:
BDBM50408294
Synonyms:
CHEMBL336698
Type:
Small organic molecule
Emp. Form.:
C12H3Cl5O2
Mol. Mass.:
356.416
SMILES:
Clc1cc2Oc3c(Cl)cc(Cl)c(Cl)c3Oc2cc1Cl
Structure:
Search PDB for entries with ligand similarity: