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Target
Endothelin-1 receptor
Ligand
BDBM50146700
Substrate
n/a
Meas. Tech.
ChEMBL_65482 (CHEMBL682357)
IC50
3.1±n/a nM
Citation
 Bolli, MH; Marfurt, J; Grisostomi, C; Boss, C; Binkert, C; Hess, P; Treiber, A; Thorin, E; Morrison, K; Buchmann, S; Bur, D; Ramuz, H; Clozel, M; Fischli, W; Weller, T Novel benzo[1,4]diazepin-2-one derivatives as endothelin receptor antagonists. J Med Chem 47:2776-95 (2004) [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:
BDBM50146700
Synonyms:
(S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-[(S)-5-(3-ethyl-phenyl)-1-(4-methoxy-benzyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-5-yl]-acetic acid | CHEMBL96932
Type:
Small organic molecule
Emp. Form.:
C33H34N4O5
Mol. Mass.:
566.6469
SMILES:
CCc1cccc(c1)[C@@]1(NCC(=O)N(Cc2ccc(OC)cc2)c2ccccc12)[C@H](Oc1nc(C)cc(C)n1)C(O)=O
Structure:
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