Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50012933
Substrate
n/a
Meas. Tech.
ChEBML_195977
IC50
63±n/a nM
Citation
Roberts, DA; Bradbury, RH; Brown, D; Faull, A; Griffiths, D; Major, JS; Oldham, AA; Pearce, RJ; Ratcliffe, AH; Revill, J 1,2,4-Triazolo[4,3-a]pyrazine derivatives with human renin inhibitory activity. 1. Synthesis and biological properties of alkyl alcohol and statine derivatives. J Med Chem 33:2326-34 (1990) [PubMed] Article
More Info.:
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:
BDBM50012933
Synonyms:
4-Methyl-2-[(pyridin-2-ylmethyl)-amino]-pentanoic acid {1-cyclohexylmethyl-2-hydroxy-3-[2-(8-isobutyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-acetylcarbamoyl]-propyl}-amide. 2H2O | CHEMBL308986
Type:
Small organic molecule
Emp. Form.:
C40H54N8O4
Mol. Mass.:
710.908
SMILES:
CC(C)CC(NCc1ccccn1)C(=O)NC(CC1CCCCC1)C(O)CC(=O)NC(=O)Cc1nnc2c(CC(C)C)nc(cn12)-c1ccccc1