Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50329050
Substrate
n/a
Meas. Tech.
ChEMBL_674153 (CHEMBL1274250)
IC50
7300±n/a nM
Citation
 Scheiper, B; Matter, H; Steinhagen, H; Stilz, U; Böcskei, Z; Fleury, V; McCort, G Discovery and optimization of a new class of potent and non-chiral indole-3-carboxamide-based renin inhibitors. Bioorg Med Chem Lett 20:6268-72 (2010) [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:
BDBM50329050
Synonyms:
(3,3-dimethylpiperazin-1-yl)(2-phenoxy-1-phenyl-1H-indol-3-yl)methanone | CHEMBL1270770
Type:
Small organic molecule
Emp. Form.:
C27H27N3O2
Mol. Mass.:
425.5222
SMILES:
CC1(C)CN(CCN1)C(=O)c1c(Oc2ccccc2)n(-c2ccccc2)c2ccccc12
Structure:
Search PDB for entries with ligand similarity: