Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50006430
Substrate
n/a
Meas. Tech.
ChEBML_196103
IC50
145±n/a nM
Citation
 Ashton, WT; Cantone, CL; Meurer, LC; Tolman, RL; Greenlee, WJ; Patchett, AA; Lynch, RJ; Schorn, TW; Strouse, JF; Siegl, PK Renin inhibitors containing C-termini derived from mercaptoheterocycles. J Med Chem 35:2103-12 (1992) [PubMed]  Article 
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:
BDBM50006430
Synonyms:
CHEMBL65206 | {1-[1-{1-Cyclohexylmethyl-3-[1-(2-dimethylamino-ethyl)-1H-tetrazol-5-ylsulfanyl]-2-hydroxy-propylcarbamoyl}-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester; hydrate
Type:
Small organic molecule
Emp. Form.:
C35H54N10O5S
Mol. Mass.:
726.932
SMILES:
CN(C)CCn1nnnc1SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Structure:
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