Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50011231
Substrate
n/a
Meas. Tech.
ChEMBL_195746 (CHEMBL801598)
pH
7.4±n/a
IC50
8.1±n/a nM
Comments
extracted
Citation
Rosenberg, SH; Spina, KP; Woods, KW; Polakowski, J; Martin, DL; Yao, Z; Stein, HH; Cohen, J; Barlow, JL; Egan, DA Studies directed toward the design of orally active renin inhibitors. 1. Some factors influencing the absorption of small peptides. J Med Chem 36:449-59 (1993) [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:
BDBM50011231
Synonyms:
2-Benzyl-N-{1-[1-cyclohexylmethyl-2-(3-ethyl-2-oxo-oxazolidin-5-yl)-2-hydroxy-ethylcarbamoyl]-2-thiazol-4-yl-ethyl}-4-morpholin-4-yl-4-oxo-butyramide | CHEMBL344272
Type:
Small organic molecule
Emp. Form.:
C35H49N5O7S
Mol. Mass.:
683.858
SMILES:
CCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1