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Target
Apelin
Ligand
BDBM50009575
Substrate
n/a
Meas. Tech.
ChEMBL_1336427 (CHEMBL3242431)
IC50
1.40±n/a nM
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 Chem 57:2908-19 (2014) [PubMed]  Article 
Target
Name:
Apelin
Synonyms:
APEL_RAT | APJ endogenous ligand | Apel | Apelin-13 | Apelin-28 | Apelin-31 | Apelin-36 | Apln
Type:
PROTEIN
Mol. Mass.:
8687.84
Organism:
Rattus norvegicus
Description:
ChEMBL_108274
Residue:
77
Sequence:
MNLSFCVQALLLLWLSLTAVCGVPLMLPPDGKGLEEGNMRYLVKPRTSRTGPGAWQGGRRKFRRQRPRLSHKGPMPF
  
Inhibitor
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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