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Target
Renin
Ligand
BDBM50003180
Substrate
n/a
Meas. Tech.
ChEMBL_195749 (CHEMBL801600)
pH
7.4±n/a
IC50
>20000±n/a nM
Comments
extracted
Citation
 Weber, AE; Steiner, MG; Krieter, PA; Colletti, AE; Tata, JR; Halgren, TA; Ball, RG; Doyle, JJ; Schorn, TW; Stearns, RA Highly potent, orally active diester macrocyclic human renin inhibitors. J Med Chem 35:3755-73 (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:
BDBM50003180
Synonyms:
(diastereomer-1) {1-[6-Cyclohexylmethyl-10-(2,2-dimethyl-propyl)-7-hydroxy-4,8,13-trioxo-1,9-dioxa-5-aza-cyclotridec-3-ylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester | (diastereomer-2) {1-[6-Cyclohexylmethyl-10-(2,2-dimethyl-propyl)-7-hydroxy-4,8,13-trioxo-1,9-dioxa-5-aza-cyclotridec-3-ylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester | CHEMBL264636
Type:
Small organic molecule
Emp. Form.:
C36H55N3O9
Mol. Mass.:
673.8366
SMILES:
CC(C)(C)CC1CCC(=O)OC[C@H](NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1
Structure:
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