Reaction Details Report a problem with these data
Target
Endothelin-1 receptor
Ligand
BDBM50085851
Substrate
n/a
Meas. Tech.
ChEMBL_63363 (CHEMBL676099)
IC50
>3000±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:
BDBM50085851
Synonyms:
CHEMBL171760 | [2-Cyano-5-(3,4,5-trimethoxy-benzyloxy)-phenoxy]-o-tolyl-acetic acid
Type:
Small organic molecule
Emp. Form.:
C26H25NO7
Mol. Mass.:
463.4792
SMILES:
COc1cc(COc2ccc(C#N)c(OC(C(O)=O)c3ccccc3C)c2)cc(OC)c1OC
Structure:
Search PDB for entries with ligand similarity: