Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM17950
Substrate
n/a
Meas. Tech.
ChEMBL_603747 (CHEMBL1039372)
IC50
0.53±n/a nM
Citation
Xu, Z; Cacatian, S; Yuan, J; Simpson, RD; Jia, L; Zhao, W; Tice, CM; Flaherty, PT; Guo, J; Ishchenko, A; Singh, SB; Wu, Z; McKeever, BM; Scott, BB; Bukhtiyarov, Y; Berbaum, J; Mason, J; Panemangalore, R; Cappiello, MG; Bentley, R; Doe, CP; Harrison, RK; McGeehan, GM; Dillard, LW; Baldwin, JJ; Claremon, DA Optimization of orally bioavailable alkyl amine renin inhibitors. Bioorg Med Chem Lett 20:694-9 (2010) [PubMed] Article
More Info.:
Target
Name:
Renin
Synonyms:
Angiotensinogenase | REN | RENI_HUMAN
Type:
Enzyme
Mol. Mass.:
45058.99
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
406
Sequence:
MDGWRRMPRWGLLLLLWGSCTFGLPTDTTTFKRIFLKRMPSIRESLKERGVDMARLGPEWSQPMKRLTLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
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|