Reaction Details Report a problem with these data
Target
Endothelin-1 receptor
Ligand
BDBM50290982
Substrate
n/a
Meas. Tech.
ChEBML_65630
IC50
0.800000±n/a nM
Citation
 Patt, WC; Reisdorph, BR; Repine, JT; Doherty, AM; Haleen, SJ; Walker, DM; Welch, KM; Flynn, MA; Hallak, H; Reyner, EL; Stewart, BH γ-Carbamate butenolide analogues as potent ETA selective endothelin receptor antagonists and prodrugs Bioorg Med Chem Lett 7:297-302 (1997)    Article 
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:
BDBM50290982
Synonyms:
Allyl-carbamic acid 4-benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-5-oxo-3-(3,4,5-trimethoxy-benzyl)-2,5-dihydro-furan-2-yl ester | CHEMBL320839
Type:
Small organic molecule
Emp. Form.:
C32H31NO10
Mol. Mass.:
589.5892
SMILES:
COc1ccc(cc1)C1(OC(=O)NCC=C)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1 |c:20|
Structure:
Search PDB for entries with ligand similarity: