Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50042818
Substrate
n/a
Meas. Tech.
ChEMBL_196281 (CHEMBL806635)
IC50
1.7±n/a nM
Citation
Lunney, EA; Hamilton, HW; Hodges, JC; Kaltenbronn, JS; Repine, JT; Badasso, M; Cooper, JB; Dealwis, C; Wallace, BA; Lowther, WT Analyses of ligand binding in five endothiapepsin crystal complexes and their use in the design and evaluation of novel renin inhibitors. J Med Chem 36:3809-20 (1994) [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:
BDBM50042818
Synonyms:
CHEMBL341531 | N-[2-(2-Amino-thiazol-4-yl)-1-(1-cyclohexylmethyl-2-hydroxy-4-hydroxymethyl-hexylcarbamoyl)-ethyl]-2-(morpholine-4-sulfonylamino)-3-phenyl-propionamide
Type:
Small organic molecule
Emp. Form.:
C33H52N6O7S2
Mol. Mass.:
708.932
SMILES:
CCC(CO)CC(O)C(CC1CCCCC1)NC(=O)C(Cc1csc(N)n1)NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1