Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50009623
Substrate
n/a
Meas. Tech.
ChEBML_195978
pH
7.4±n/a
IC50
>20000±n/a nM
Comments
extracted
Citation
 Weber, AE; Halgren, TA; Doyle, JJ; Lynch, RJ; Siegl, PK; Parsons, WH; Greenlee, WJ; Patchett, AA Design and synthesis of P2-P1'-linked macrocyclic human renin inhibitors. J Med Chem 34:2692-701 (1991) [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:
BDBM50009623
Synonyms:
CHEMBL330455 | [1-(7-Cyclohexylmethyl-6-hydroxy-9,13-dioxo-1,4-dioxa-8,14-diaza-spiro[4.12]heptadec-10-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid tert-butyl ester
Type:
Small organic molecule
Emp. Form.:
C34H52N4O8
Mol. Mass.:
644.7987
SMILES:
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NCCCC2(OCCO2)[C@H](O)[C@H](CC2CCCCC2)NC1=O
Structure:
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