Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50055893
Substrate
n/a
Meas. Tech.
ChEMBL_1458604 (CHEMBL3371147)
IC50
13000±n/a nM
Citation
 Grädler, U; Czodrowski, P; Tsaklakidis, C; Klein, M; Werkmann, D; Lindemann, S; Maskos, K; Leuthner, B Structure-based optimization of non-peptidic Cathepsin D inhibitors. Bioorg Med Chem Lett 24:4141-50 (2014) [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:
BDBM50055893
Synonyms:
CHEMBL3321929
Type:
Small organic molecule
Emp. Form.:
C28H37FN4O5
Mol. Mass.:
528.6156
SMILES:
COc1ccc(CNC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2ccc(OC)c(OC)c2)cc1F |r|
Structure:
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