Reaction Details Report a problem with these data
Target
Endothelin-1 receptor
Ligand
BDBM50085852
Substrate
n/a
Meas. Tech.
ChEMBL_63363 (CHEMBL676099)
IC50
70±n/a nM
Citation
 Astles, PC; Brown, TJ; Halley, F; Handscombe, CM; Harris, NV; Majid, TN; McCarthy, C; McLay, IM; Morley, A; Porter, B; Roach, AG; Sargent, C; Smith, C; Walsh, RJ Selective ET(A) antagonists. 5. Discovery and structure-activity relationships of phenoxyphenylacetic acid derivatives. J Med Chem 43:900-10 (2000) [PubMed]  Article 
Target
Name:
Endothelin-1 receptor
Synonyms:
EDNRA_RAT | ENDOTHELIN A | Ednra | Endothelin receptor | Endothelin-1 receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
48256.91
Organism:
RAT
Description:
ENDOTHELIN A EDNRA RAT::P26684
Residue:
426
Sequence:
MGVLCFLASFWLALVGGAIADNAERYSANLSSHVEDFTPFPGTEFNFLGTTLQPPNLALPSNGSMHGYCPQQTKITTAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLITAIEIVSIWILSFILAIPEAIGFVMVPFEYKGEQHRTCMLNATTKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYDEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCHQSKSLMTSVPMNGTSIQWKNQEQNHNTERSSHKDSMN
  
Inhibitor
Name:
BDBM50085852
Synonyms:
CHEMBL174229 | [2-Cyano-5-(thiophen-3-ylmethoxy)-phenoxy]-phenyl-acetic acid
Type:
Small organic molecule
Emp. Form.:
C20H15NO4S
Mol. Mass.:
365.402
SMILES:
OC(=O)C(Oc1cc(OCc2ccsc2)ccc1C#N)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: