Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50008524
Substrate
n/a
Meas. Tech.
ChEMBL_195766 (CHEMBL803431)
IC50
1.5±n/a nM
Citation
Kleemann, HW; Heitsch, H; Henning, R; Kramer, W; Kocher, W; Lerch, U; Linz, W; Nickel, WU; Ruppert, D; Urbach, H Renin inhibitory pentols showing improved enteral bioavailability. J Med Chem 35:559-67 (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:
BDBM50008524
Synonyms:
CHEMBL152610 | Methyl-{2-[methyl-(morpholine-4-carbonyl)-amino]-ethyl}-carbamic acid 1-[1-(1-cyclohexylmethyl-2,3,4,5,6-pentahydroxy-hexylcarbamoyl)-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl ester
Type:
Small organic molecule
Emp. Form.:
C38H59N7O11
Mol. Mass.:
789.9154
SMILES:
CN(CCN(C)C(=O)N1CCOCC1)C(=O)O[C@@H](Cc1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO