Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50017777
Substrate
n/a
Meas. Tech.
ChEMBL_195952 (CHEMBL806847)
pH
6±n/a
IC50
2±n/a nM
Comments
extracted
Citation
Rosenberg, SH; Woods, KW; Kleinert, HD; Stein, H; Nellans, HN; Hoffman, DJ; Spanton, SG; Pyter, RA; Cohen, J; Egan, DA Azido glycols: potent, low molecular weight renin inhibitors containing an unusual post scissile site residue. J Med Chem 32:1371-8 (1989) [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:
BDBM50017777
Synonyms:
CHEMBL281436 | N-[1-[1-(4-Azido-1-cyclohexylmethyl-2,3-dihydroxy-butylcarbamoyl)-2-(3H-imidazol-4-yl)-ethylcarbamoyl]-2-(4-methoxy-phenyl)-ethyl]-isobutyramide
Type:
Small organic molecule
Emp. Form.:
C31H46N8O6
Mol. Mass.:
626.7469
SMILES:
COc1ccc(C[C@H](NC(=O)C(C)C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](CC2CCCCC2)[C@H](O)[C@H](O)CN=[N+]=[N-])cc1