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Target
Endothelin-1 receptor
Ligand
BDBM50112661
Substrate
n/a
Meas. Tech.
ChEMBL_63342 (CHEMBL679284)
IC50
1.3±n/a nM
Citation
 Ishizuka, N; Matsumura, K; Sakai, K; Fujimoto, M; Mihara, S; Yamamori, T Structure-activity relationships of a novel class of endothelin-A receptor antagonists and discovery of potent and selective receptor antagonist, 2-(benzo[1,3]dioxol-5-yl)-6-isopropyloxy-4-(4-methoxyphenyl)-2H-chromene-3-carboxylic acid (S-1255). 1. Study on structure-activity relationships and bas J Med Chem 45:2041-55 (2002) [PubMed]  Article 
Target
Name:
Endothelin-1 receptor
Synonyms:
EDNRA_RAT | ENDOTHELIN A | Ednra | Endothelin receptor | Endothelin-1 receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
48256.91
Organism:
RAT
Description:
ENDOTHELIN A EDNRA RAT::P26684
Residue:
426
Sequence:
MGVLCFLASFWLALVGGAIADNAERYSANLSSHVEDFTPFPGTEFNFLGTTLQPPNLALPSNGSMHGYCPQQTKITTAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLITAIEIVSIWILSFILAIPEAIGFVMVPFEYKGEQHRTCMLNATTKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYDEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCHQSKSLMTSVPMNGTSIQWKNQEQNHNTERSSHKDSMN
  
Inhibitor
Name:
BDBM50112661
Synonyms:
(2S,3S,4R)-2-Benzo[1,3]dioxol-5-yl-6-isopropoxy-4-(4-methoxy-phenyl)-chroman-3-carboxylic acid | 2-Benzo[1,3]dioxol-5-yl-6-isopropoxy-4-(4-methoxy-phenyl)-chroman-3-carboxylic acid | CHEMBL435773
Type:
Small organic molecule
Emp. Form.:
C27H26O7
Mol. Mass.:
462.4911
SMILES:
COc1ccc(cc1)[C@H]1[C@@H]([C@H](Oc2ccc(OC(C)C)cc12)c1ccc2OCOc2c1)C(O)=O
Structure:
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