Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50012927
Substrate
n/a
Meas. Tech.
ChEBML_195977
IC50
1920±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:
BDBM50012927
Synonyms:
CHEMBL76896 | N-(2-Cyclohexyl-1-cyclohexylmethyl-2-hydroxy-ethyl)-2-(6-phenyl-8-propyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-acetamide
Type:
Small organic molecule
Emp. Form.:
C31H43N5O2
Mol. Mass.:
517.7054
SMILES:
CCCc1nc(cn2c(CC(=O)N[C@@H](CC3CCCCC3)C(O)C3CCCCC3)nnc12)-c1ccccc1