Reaction Details  Report a problem with these data
Target
Endothelin-1 receptor
Ligand
BDBM50290058
Substrate
n/a
Meas. Tech.
ChEBML_65500
IC50
80±n/a nM
Citation
 Neidhart, W; Breu, V; Burri, K; Clozel, M; Hirth, G; Klinkhammer, U; Giller, T; Ramuz, H Discovery of Ro 48-5695: A potent mixed endothelin receptor antagonist optimized from bosentan Bioorg Med Chem Lett 7:2223-2228 (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:
BDBM50290058
Synonyms:
4-tert-Butyl-N-{5-(2-methoxy-phenoxy)-2-methyl-6-[2-(3-pyridin-2-yl-ureido)-ethoxy]-pyrimidin-4-yl}-benzenesulfonamide | CHEMBL70924
Type:
Small organic molecule
Emp. Form.:
C30H34N6O6S
Mol. Mass.:
606.693
SMILES:
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(C)nc1OCCNC(=O)Nc1ccccn1
Structure:
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