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Target
Endothelin-1 receptor
Ligand
BDBM50050060
Substrate
n/a
Meas. Tech.
ChEMBL_65491 (CHEMBL682366)
IC50
41±n/a nM
Citation
 von Geldern, TW; Hoffman, DJ; Kester, JA; Nellans, HN; Dayton, BD; Calzadilla, SV; Marsh, KC; Hernandez, L; Chiou, W; Dixon, DB; Wu-Wong, JR; Opgenorth, TJ Azole endothelin antagonists. 3. Using delta log P as a tool to improve absorption. J Med Chem 39:982-91 (1996) [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:
BDBM50050060
Synonyms:
2-[(R)-1-((S)-2-Cyclohexyloxycarbonylamino-4-methyl-pentanoylamino)-2-(1-methyl-1H-indol-3-yl)-ethyl]-5-methyl-oxazole-4-carboxylic acid | CHEMBL353320
Type:
Small organic molecule
Emp. Form.:
C29H38N4O6
Mol. Mass.:
538.6352
SMILES:
CC(C)C[C@H](NC(=O)OC1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1
Structure:
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