Reaction Details Report a problem with these data
Target
Endothelin-1 receptor
Ligand
BDBM50290050
Substrate
n/a
Meas. Tech.
ChEBML_65500
IC50
0.200000±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:
BDBM50290050
Synonyms:
CHEMBL70385 | Pyridin-2-yl-carbamic acid 2-[5-(2-methoxy-phenoxy)-6-(5-methyl-pyridine-2-sulfonylamino)-2-morpholin-4-yl-pyrimidin-4-yloxy]-ethyl ester
Type:
Small organic molecule
Emp. Form.:
C29H31N7O8S
Mol. Mass.:
637.664
SMILES:
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCCOC(=O)Nc1ccccn1)N1CCOCC1
Structure:
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