Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50022581
Substrate
n/a
Meas. Tech.
ChEBML_195773
IC50
20±n/a nM
Citation
Bühlmayer, P; Caselli, A; Fuhrer, W; Göschke, R; Rasetti, V; Rüeger, H; Stanton, JL; Criscione, L; Wood, JM Synthesis and biological activity of some transition-state inhibitors of human renin. J Med Chem 31:1839-46 (1988) [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:
BDBM50022581
Synonyms:
2,2-Dimethyl-propionic acid 1-[1-(4-butylcarbamoyl-2-hydroxy-1-isobutyl-5-methyl-hexylcarbamoyl)-2-(3H-imidazol-4-yl)-ethylcarbamoyl]-1-phenyl-ethyl ester | CHEMBL52395
Type:
Small organic molecule
Emp. Form.:
C36H57N5O6
Mol. Mass.:
655.8677
SMILES:
CCCCNC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(C)(OC(=O)C(C)(C)C)c1ccccc1)C(C)C