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Target
Renin
Ligand
BDBM50003171
Substrate
n/a
Meas. Tech.
ChEBML_195749
pH
7.4±n/a
IC50
7.0±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:
BDBM50003171
Synonyms:
(diastereomer-1) [1-(6-Cyclohexylmethyl-10-diethylaminomethyl-7-hydroxy-4,8,14-trioxo-1,9-dioxa-5-aza-cyclotetradec-3-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid tert-butyl ester | (diastereomer-2) [1-(6-Cyclohexylmethyl-10-diethylaminomethyl-7-hydroxy-4,8,14-trioxo-1,9-dioxa-5-aza-cyclotetradec-3-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid tert-butyl ester | CHEMBL431667
Type:
Small organic molecule
Emp. Form.:
C37H58N4O9
Mol. Mass.:
702.8778
SMILES:
CCN(CC)CC1CCCC(=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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