Reaction Details Report a problem with these data
Target
Endothelin-1 receptor
Ligand
BDBM50197005
Substrate
n/a
Meas. Tech.
ChEMBL_453172 (CHEMBL902323)
IC50
44.9±n/a nM
Citation
 Doppalapudi, VR; Tryder, N; Li, L; Aja, T; Griffith, D; Liao, FF; Roxas, G; Ramprasad, MP; Bradshaw, C; Barbas, CF Chemically programmed antibodies: endothelin receptor targeting CovX-Bodies. Bioorg Med Chem Lett 17:501-6 (2007) [PubMed]  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:
BDBM50197005
Synonyms:
CHEMBL436821 | N-[4-{2-[2-(2-{2-[4-(3,5-dioxo-hexyl)-phenylcarbamoyl]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-2'-(isoxazol-5-ylsulfamoyl)-biphenyl-2-ylmethyl]-3,3,N-trimethyl-butyramide
Type:
Small organic molecule
Emp. Form.:
C44H56N4O11S
Mol. Mass.:
849.001
SMILES:
CN(Cc1cc(OCCOCCOCCOCCC(=O)Nc2ccc(CCC(=O)CC(C)=O)cc2)ccc1-c1ccccc1S(=O)(=O)Nc1ccno1)C(=O)CC(C)(C)C
Structure:
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