Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50012924
Substrate
n/a
Meas. Tech.
ChEBML_195977
IC50
290±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:
BDBM50012924
Synonyms:
CHEMBL78121 | N-(2-Cyclohexyl-1-cyclohexylmethyl-2-hydroxy-ethyl)-2-(8-isobutyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-yl-propionamide
Type:
Small organic molecule
Emp. Form.:
C38H50N6O2
Mol. Mass.:
622.8426
SMILES:
CC(C)Cc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)N[C@@H](CC1CCCCC1)C(O)C1CCCCC1)-c1ccccc1