Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50352979
Substrate
n/a
Meas. Tech.
ChEMBL_767700 (CHEMBL1825812)
IC50
285±n/a nM
Citation
 Scheiper, B; Matter, H; Steinhagen, H; Böcskei, Z; Fleury, V; McCort, G Structure-based optimization of potent 4- and 6-azaindole-3-carboxamides as renin inhibitors. Bioorg Med Chem Lett 21:5480-6 (2011) [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:
BDBM50352979
Synonyms:
CHEMBL1824954
Type:
Small organic molecule
Emp. Form.:
C30H34N4O2
Mol. Mass.:
482.6166
SMILES:
CCCCC1CN(CCN1)C(=O)c1c(Oc2c(C)cccc2C)n(-c2ccccc2)c2cccnc12
Structure:
Search PDB for entries with ligand similarity: