Reaction Details Report a problem with these data
Target
Aryl hydrocarbon receptor
Ligand
BDBM50525572
Substrate
n/a
Meas. Tech.
ChEMBL_1897406 (CHEMBL4399441)
IC50
98±n/a nM
Citation
 Jeong, J; Kim, KH; Kim, DY; Chandrasekaran, G; Kim, M; Pagire, SH; Dighe, M; Choi, EY; Bak, SM; Kim, EY; Shin, MG; Choi, SY; Ahn, JH Identification of new aryl hydrocarbon receptor (AhR) antagonists using a zebrafish model. Bioorg Med Chem 27:0 (2019) [PubMed]  Article 
Target
Name:
Aryl hydrocarbon receptor
Synonyms:
Aryl hydrocarbon receptor | Synonyms=AHR2 | ahr2
Type:
PROTEIN
Mol. Mass.:
112797.07
Organism:
Danio rerio
Description:
ChEMBL_119263
Residue:
1027
Sequence:
MSAGIGTYAVKKRKKPVQKIPKPPPPDGVKSNPSKRHRDRLNSELDKLTNLLPFSEDVRARLDKLSVLRLSVGYLKVKSFFNATIKKTGGNGWLNDRSGTFGGNGQTASSLDGVNFSEGELLLQALNGFVLVVTAEGYVFYSSPTIQDYLGFHQSDVVHHSVFELIHTDDRAMFRRQLHFALNPSSDSADGSEAMQSSSDITRDMVNYNPQHIPPENSSFLERSFCCRFRCLLDNSSGFLALNFQGRLKYLHGQNKLAEDGTLAHPQLALFIIATPLQPPSILEIRSKTLLFQTKHKLDFTPMGIDTRGKVVLGYTEIELCMRGSGYQFIHAADMMYCADNHIRMIKTGESGLTVFRLLSKGGTWIWVQANARLVYKAGRPDFIIARQRALTNEEGEEHLRQRKLQLPFNCATGEGVLYEVGPTLDVAEIQNQSKGQKMLNPPSLDPDSLLGSMLKQDHSLYSQNNDPNSQFTIDKAFGDSHALLNVPGNTWQPSTPNTVPGIKEEAVVKDMLETLQQIIEVGNNCNSLEDFNLDRMELKEWENTLCRMNYNNDMEINEIITEDIFSYVEDVLFKENGIQPLKDLGPFSEMSEGLSELELQNNLAANQEFSCQAGVHGGSPGQGGFIGMNIQEGMDTSSPGRGTVKLSHMGPQMLPGNNFIQSFGLDQTTQKMAGNSNILFRPSLAMQQSQQPNQVNLGLQGVVQENGIVPCGQRNLLTGNQPHPNTMTLPLQSPLVQGTSTQPMGFRNQNSLPQQPSISQNPQWVPSSNSVVDNRMNSCAHNVSGPQDAGLHSGPFANLQGQFSLHTQNAANAGPPGWQQSQPTPQGVPTSFSGGHQPGFISQVTDFQRGTLNQMMPHTNGQGIGSGFLPKESASAIYPQQGDFINNSPHKTSTSCMFMNNAQPSVNGMQYGSADLVSGMSSCQGTKGLLTQSPTQASCYFQRGPSETIVGTAVIPQEDNNISPMACQLPLGLPPDNIISQQYLSCNTQTQVANRPLKETEMFHFPMLTNGTTYFPDNNQSNCCDY
  
Inhibitor
Name:
BDBM50525572
Synonyms:
CH-223191 | CHEMBL1743245
Type:
Small organic molecule
Emp. Form.:
C19H19N5O
Mol. Mass.:
333.3871
SMILES:
Cc1ccccc1\N=N\c1ccc(NC(=O)c2ccnn2C)c(C)c1
Structure:
Search PDB for entries with ligand similarity: