Reaction Details Report a problem with these data
Target
Endothelin-1 receptor
Ligand
BDBM50000559
Substrate
n/a
Meas. Tech.
ChEBML_65799
IC50
7600±n/a nM
Citation
 Doherty, AM Endothelin: a new challenge. J Med Chem 35:1493-508 (1992) [PubMed]  Article 
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:
BDBM50000559
Synonyms:
2-(2-Azepan-1-yl-2-oxo-ethyl)-4-methyl-pentanoic acid [2-(1H-indol-3-yl)-1-(1-methylcarbamoyl-2-pyridin-2-yl-ethylcarbamoyl)-ethyl]-methyl-amide | CHEMBL288514
Type:
Small organic molecule
Emp. Form.:
C35H48N6O4
Mol. Mass.:
616.7934
SMILES:
CNC(=O)[C@H](Cc1ccccn1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)N(C)C(=O)[C@H](CC(C)C)CC(=O)N1CCCCCC1
Structure:
Search PDB for entries with ligand similarity: