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Target
Renin
Ligand
BDBM50012937
Substrate
n/a
Meas. Tech.
ChEMBL_195780 (CHEMBL801703)
IC50
0.300000±n/a nM
Citation
 Bradbury, RH; Major, JS; Oldham, AA; Rivett, JE; Roberts, DA; Slater, AM; Timms, D; Waterson, D 1,2,4-Triazolo[4,3-a]pyrazine derivatives with human renin inhibitory activity. 2. Synthesis, biological properties and molecular modeling of hydroxyethylene isostere derivatives. J Med Chem 33:2335-42 (1990) [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:
BDBM50012937
Synonyms:
CHEMBL76697 | Less polar Epimer-6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-yl-propionylamino]-hexanoic acid (2-dimethylamino-ethyl)-amide | More polar Epimer-6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-yl-propionylamino]-hexanoic acid (2-dimethylamino-ethyl)-amide
Type:
Small organic molecule
Emp. Form.:
C40H57N9O3
Mol. Mass.:
711.9391
SMILES:
CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(O)CC(C(C)C)C(=O)NCCN(C)C)-c1cccnc1
Structure:
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