Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50008132
Substrate
n/a
Meas. Tech.
ChEBML_192731
IC50
0.250000±n/a nM
Citation
Doherty, AM; Sircar, I; Kornberg, BE; Quin, J; Winters, RT; Kaltenbronn, JS; Taylor, MD; Batley, BL; Rapundalo, SR; Ryan, MJ Design and synthesis of potent, selective, and orally active fluorine-containing renin inhibitors. J Med Chem 35:2-14 (1992) [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:
BDBM50008132
Synonyms:
5-Cyclohexyl-2,2-difluoro-4-{2-[2-(morpholine-4-sulfonylamino)-3-phenyl-propionylamino]-acetylamino}-3-oxo-pentanoic acid (2-morpholin-4-yl-ethyl)-amide | CHEMBL28702
Type:
Small organic molecule
Emp. Form.:
C32H48F2N6O8S
Mol. Mass.:
714.821
SMILES:
FC(F)(C(=O)NCCN1CCOCC1)C(=O)[C@H](CC1CCCCC1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1