Reaction Details Report a problem with these data
Target
Endothelin-1 receptor
Ligand
BDBM50336699
Substrate
n/a
Meas. Tech.
ChEMBL_723169 (CHEMBL1675391)
Ki
3.9±n/a nM
Citation
Michel, K; Büther, K; Law, MP; Wagner, S; Schober, O; Hermann, S; Schäfers, M; Riemann, B; Höltke, C; Kopka, K Development and evaluation of endothelin-A receptor (radio)ligands for positron emission tomography. J Med Chem 54:939-48 (2011) [PubMed] Article
More Info.:
Target
Name:
Endothelin-1 receptor
Synonyms:
EDNRA_MOUSE | Ednra | Endothelin receptor ET-A | Gpcr10
Type:
PROTEIN
Mol. Mass.:
48591.87
Organism:
Mus musculus
Description:
ChEMBL_723169
Residue:
427
Sequence:
MSIFCLAAYFWLTMVGGVMADNPERYSANLSSHMEDFTPFPGTEINFLGTTHRPPNLALPSNGSMHGYCPQQTKITTAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLITAIEIVSIWILSFILAIPEAIGFVMVPFEYKGELHRTCMLNATSKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYDEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCHQSKSLMTSVPMNGTSIQWKNQEQNNHNTERSSHKDSMN
Inhibitor
Name:
BDBM50336699
Synonyms:
CHEMBL1672884 | N-[1-(2-{2-[2-(2-{5-[4-Benzo[1,3]dioxol-5-yl-2-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydrofuran-3-ylmethyl]-2,3-dimethoxyphenoxy}ethoxy)ethoxy]ethoxy}ethyl)-1H-1,2,3-triazol-4-ylmethyl]-4-fluoro-N-methylbenzenesulfonamide
Type:
Small organic molecule
Emp. Form.:
C45H49FN4O14S
Mol. Mass.:
920.952
SMILES:
COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCOCCOCCOCCn2cc(CN(C)S(=O)(=O)c3ccc(F)cc3)nn2)c1)c1ccc2OCOc2c1 |c:14|