Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM17950
Substrate
n/a
Meas. Tech.
ChEMBL_853461 (CHEMBL2155358)
IC50
8±n/a nM
Citation
 Nakamura, Y; Fujimoto, T; Ogawa, Y; Sugita, C; Miyazaki, S; Tamaki, K; Takahashi, M; Matsui, Y; Nagayama, T; Manabe, K; Mizuno, M; Masubuchi, N; Chiba, K; Nishi, T Discovery of DS-8108b, a Novel Orally Bioavailable Renin Inhibitor. ACS Med Chem Lett 3:754-758 (2012) [PubMed]  Article 
Target
Name:
Renin
Synonyms:
Angiotensinogenase | REN | RENI_MACFA
Type:
PROTEIN
Mol. Mass.:
45012.96
Organism:
Macaca fascicularis
Description:
ChEMBL_979177
Residue:
406
Sequence:
MDGWRRMPRWGLLLLLWGSCTFGLPTDTTTFKRIFLKRMPSIRESLKERGVDMARLGPEWSQPMKRLALGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNILSQGVLKEDVFSFYYNRDSENAQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
  
Inhibitor
Name:
BDBM17950
Synonyms:
(2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethylethyl)-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-(propan-2-yl)nonanamide | ALISKIREN FUMARATE | Aliskiren | Aliskiren Hemifumarate | CHEMBL1639 | Rasilez | TEKTURNA
Type:
Small organic molecule
Emp. Form.:
C30H53N3O6
Mol. Mass.:
551.7583
SMILES:
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r|
Structure:
Search PDB for entries with ligand similarity: