Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50003175
Substrate
n/a
Meas. Tech.
ChEBML_195749
pH
7.4±n/a
IC50
11±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
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:
BDBM50003175
Synonyms:
1H-Indole-2-carboxylic acid (6-cyclohexylmethyl-7-hydroxy-10-morpholin-4-ylmethyl-4,8,14-trioxo-1,9-dioxa-5-aza-cyclotetradec-3-yl)-amide | CHEMBL338891
Type:
Small organic molecule
Emp. Form.:
C32H44N4O8
Mol. Mass.:
612.7138
SMILES:
O[C@@H]1[C@H](CC2CCCCC2)NC(=O)[C@H](COC(=O)CCC[C@H](CN2CCOCC2)OC1=O)NC(=O)c1cc2ccccc2[nH]1