Reaction Details |
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Target | Apelin |
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Ligand | BDBM50009575 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1336421 (CHEMBL3242425) |
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Ki | 0.04±n/a nM |
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Citation | Margathe, JF; Iturrioz, X; Alvear-Perez, R; Marsol, C; Riché, S; Chabane, H; Tounsi, N; Kuhry, M; Heissler, D; Hibert, M; Llorens-Cortes, C; Bonnet, D Structure-activity relationship studies toward the discovery of selective apelin receptor agonists. J Med Chem57:2908-19 (2014) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Apelin |
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Name: | Apelin |
Synonyms: | APEL | APEL_HUMAN | APJ endogenous ligand | APLN | Apelin-13 | Apelin-28 | Apelin-31 | Apelin-36 |
Type: | PROTEIN |
Mol. Mass.: | 8579.06 |
Organism: | Homo sapiens (Human) |
Description: | ChEMBL_108275 |
Residue: | 77 |
Sequence: | MNLRLCVQALLLLWLSLTAVCGGSLMPLPDGNGLEDGNVRHLVQPRGSRNGPGPWQGGRR
KFRRQRPRLSHKGPMPF
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BDBM50009575 |
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n/a |
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Name | BDBM50009575 |
Synonyms: | CHEMBL3234446 |
Type | Small organic molecule |
Emp. Form. | C96H156N34O20S |
Mol. Mass. | 2138.547 |
SMILES | CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| |
Structure |
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