Reaction Details Report a problem with these data
Target
Endothelin-1 receptor
Ligand
BDBM50105057
Substrate
n/a
Meas. Tech.
ChEMBL_65793 (CHEMBL677974)
IC50
0.04±n/a nM
Citation
Morimoto, H; Ohashi, N; Shimadzu, H; Kushiyama, E; Kawanishi, H; Hosaka, T; Kawase, Y; Yasuda, K; Kikkawa, K; Yamauchi-Kohno, R; Yamada, K Potent and selective ET-A antagonists. 2. Discovery and evaluation of potent and water soluble N-(6-(2-(aryloxy)ethoxy)-4-pyrimidinyl)sulfonamide derivatives. J Med Chem 44:3369-77 (2001) [PubMed] Article
More Info.:
Target
Name:
Endothelin-1 receptor
Synonyms:
EDNRA | EDNRA_PIG | Endothelin receptor ET-A
Type:
PROTEIN
Mol. Mass.:
48707.29
Organism:
Sus scrofa
Description:
ChEMBL_65803
Residue:
427
Sequence:
METFCFRVSFWVALLGCVISDNPESHSTNLSTHVDDFTTFRGTEFSLVVTTHRPTNLALPSNGSMHNYCPQQTKITSAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFENHDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLVTAIEIVSIWILSFILAIPEAIGFVMVPFEYKGEEHKTCMLNATSKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYDEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCYQSKSLMTSVPMNGTSIQWKNHEQNNHNTERSSHKDSIN
Inhibitor
Name:
BDBM50105057
Synonyms:
CHEMBL324184 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)-ethoxy]-5-(4-hydroxymethyl-phenyl)-pyrimidin-4-yl]-4-tert-butyl-benzenesulfonamide
Type:
Small organic molecule
Emp. Form.:
C27H28BrN5O5S
Mol. Mass.:
614.511
SMILES:
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(CO)cc1