Reaction Details Report a problem with these data
Target
Endothelin-1 receptor
Ligand
BDBM50057164
Substrate
n/a
Meas. Tech.
ChEMBL_63194 (CHEMBL679797)
IC50
0.34±n/a nM
Citation
Patt, WC; Edmunds, JJ; Repine, JT; Berryman, KA; Reisdorph, BR; Lee, C; Plummer, MS; Shahripour, A; Haleen, SJ; Keiser, JA; Flynn, MA; Welch, KM; Reynolds, EE; Rubin, R; Tobias, B; Hallak, H; Doherty, AM Structure-activity relationships in a series of orally active gamma-hydroxy butenolide endothelin antagonists. J Med Chem 40:1063-74 (1997) [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:
BDBM50057164
Synonyms:
CHEMBL10862 | Sodium; (Z)-2-(7-methoxy-benzo[1,3]dioxol-5-yl)-4-(4-methoxy-phenyl)-4-oxo-3-(2,3,4-trimethoxy-benzyl)-but-2-enoate
Type:
Small organic molecule
Emp. Form.:
C29H27O10
Mol. Mass.:
535.5192
SMILES:
COc1ccc(cc1)C(=O)C(\Cc1ccc(OC)c(OC)c1OC)=C(/C([O-])=O)c1cc2OCOc2c(OC)c1