| Reaction Details |
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 | Report a problem with these data |
| Target | Endothelin-1 receptor |
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| Ligand | BDBM50032181 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_63185 (CHEMBL677396) |
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| IC50 | 3.5±n/a nM |
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| Citation |  Cody, WL; He, JX; DePue, PL; Waite, LA; Leonard, DM; Sefler, AM; Kaltenbronn, JS; Haleen, SJ; Walker, DM; Flynn, MA Structure-activity relationships of the potent combined endothelin-A/endothelin-B receptor antagonist Ac-DDip16-Leu-Asp-Ile-Ile-Trp21: development of endothelin-B receptor selective antagonists. J Med Chem38:2809-19 (1995) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| Endothelin-1 receptor |
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| Name: | Endothelin-1 receptor |
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| Synonyms: | EDNRA | EDNRA_HUMAN | ET-A | ETA | ETA-R | ETRA | Endothelin receptor type A | Endothelin receptor, ET-A/ET-B | hET-AR |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 48736.88 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P25101 |
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| Residue: | 427 |
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| Sequence: | METLCLRASFWLALVGCVISDNPERYSTNLSNHVDDFTTFRGTELSFLVTTHQPTNLVLP
SNGSMHNYCPQQTKITSAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIA
SLALGDLIYVVIDLPINVFKLLAGRWPFDHNDFGVFLCKLFPFLQKSSVGITVLNLCALS
VDRYRAVASWSRVQGIGIPLVTAIEIVSIWILSFILAIPEAIGFVMVPFEYRGEQHKTCM
LNATSKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQ
RREVAKTVFCLVVIFALCWFPLHLSRILKKTVYNEMDKNRCELLSFLLLMDYIGINLATM
NSCINPIALYFVSKKFKNCFQSCLCCCCYQSKSLMTSVPMNGTSIQWKNHDQNNHNTDRS
SHKDSMN
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| BDBM50032181 |
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| n/a |
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| Name | BDBM50032181 |
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| Synonyms: | 2-{1-[1-(2-carboxy-1-{1-[10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl(methylcarboxamido)methylcarboxamido]-3-methylbutylcarboxamido}ethylcarboxamido)-2-methylbutylcarboxamido]-2-methylbutylcarboxamido}-3-(1H-3-indolyl)propanoic acid | 3-{2-[2-Acetylamino-2-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)-acetylamino]-4-methyl-pentanoylamino}-N-(1-{1-[1-carboxy-2-(1H-indol-3-yl)-ethylcarbamoyl]-2-methyl-butylcarbamoyl}-2-methyl-butyl)-succinamic acid | CHEMBL262993 |
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| Type | Small organic molecule |
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| Emp. Form. | C52H67N7O10 |
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| Mol. Mass. | 950.1293 |
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| SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |
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| Structure | 
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