Reaction Details Report a problem with these data
Target
Endothelin-1 receptor
Ligand
BDBM50108195
Substrate
n/a
Meas. Tech.
ChEBML_65468
IC50
6.5±n/a nM
Citation
Rawson, DJ; Dack, KN; Dickinson, RP; James, K The design and synthesis of a novel series of indole derived selective ET(A) antagonists. Bioorg Med Chem Lett 12:125-8 (2001) [PubMed] Article
More Info.:
Target
Name:
Endothelin-1 receptor
Synonyms:
EDNRA | EDNRA_HUMAN | ET-A | ETA | ETA-R | ETRA | Endothelin receptor type A | Endothelin receptor, ET-A/ET-B | hET-AR
Type:
Enzyme Catalytic Domain
Mol. Mass.:
48736.88
Organism:
Homo sapiens (Human)
Description:
P25101
Residue:
427
Sequence:
METLCLRASFWLALVGCVISDNPERYSTNLSNHVDDFTTFRGTELSFLVTTHQPTNLVLPSNGSMHNYCPQQTKITSAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLVTAIEIVSIWILSFILAIPEAIGFVMVPFEYRGEQHKTCMLNATSKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYNEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCYQSKSLMTSVPMNGTSIQWKNHDQNNHNTDRSSHKDSMN
Inhibitor
Name:
BDBM50108195
Synonyms:
3-[1-Benzo[1,3]dioxol-5-yl-2-oxo-2-(4-trifluoromethyl-benzenesulfonylamino)-ethyl]-1-methyl-1H-indole-6-carboxylic acid amide | CHEMBL276982
Type:
Small organic molecule
Emp. Form.:
C26H20F3N3O6S
Mol. Mass.:
559.514
SMILES:
Cn1cc(C(C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c2ccc3OCOc3c2)c2ccc(cc12)C(N)=O