Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50273161
Substrate
n/a
Meas. Tech.
ChEMBL_1712831 (CHEMBL4122880)
IC50
2.9±n/a nM
Citation
 Tokuhara, H; Imaeda, Y; Fukase, Y; Iwanaga, K; Taya, N; Watanabe, K; Kanagawa, R; Matsuda, K; Kajimoto, Y; Kusumoto, K; Kondo, M; Snell, G; Behnke, CA; Kuroita, T Discovery of benzimidazole derivatives as orally active renin inhibitors: Optimization of 3,5-disubstituted piperidine to improve pharmacokinetic profile. Bioorg Med Chem 26:3261-3286 (2018) [PubMed]  Article 
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:
BDBM50273161
Synonyms:
CHEMBL4127179
Type:
Small organic molecule
Emp. Form.:
C23H33N5O3
Mol. Mass.:
427.5398
SMILES:
CC(C)CN([C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1)C(=O)c1nc2ccccc2n1C |r|
Structure:
Search PDB for entries with ligand similarity: