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Target
Renin
Ligand
BDBM50345194
Substrate
n/a
Meas. Tech.
ChEMBL_751249 (CHEMBL1787617)
IC50
37±n/a nM
Citation
 Thangapandian, S; John, S; Sakkiah, S; Lee, KW Potential virtual lead identification in the discovery of renin inhibitors: application of ligand and structure-based pharmacophore modeling approaches. Eur J Med Chem 46:2469-76 (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:
BDBM50345194
Synonyms:
6-((1-(3-hydroxypropyl)-1,8a-dihydroquinolin-7-yloxy)methyl)-1-(4-(3-(2-methoxybenzyloxy)propoxy)phenyl)piperazin-2-one | CHEMBL1783189
Type:
Small organic molecule
Emp. Form.:
C34H41N3O6
Mol. Mass.:
587.7058
SMILES:
COc1ccccc1COCCCOc1ccc(cc1)N1C(COC2=CC3N(CCCO)C=CC=C3C=C2)CNCC1=O |c:34,36,39,t:26|
Structure:
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