Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50280490
Substrate
n/a
Meas. Tech.
ChEBML_195763
IC50
>1000±n/a nM
Citation
 Schirlin, D; Tarnus, C; Baltzer, S; Rémy, JM MDL 74147, a novel selective and soluble inhibitor of human renin. Synthesis, structure-activity relationship, species and protease selectivities. Bioorg Med Chem Lett 2:651-654 (1992)    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:
BDBM50280490
Synonyms:
(S)-2-[(S)-3-(4-Methoxy-phenyl)-2-(3-methyl-butyrylamino)-propionylamino]-pentanoic acid ((S)-4-amino-1-cyclohexylmethyl-3,3-difluoro-2-hydroxy-butyl)-amide; hydrochloride | CHEMBL545343
Type:
Small organic molecule
Emp. Form.:
C31H50F2N4O5
Mol. Mass.:
596.7493
SMILES:
CCC[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC(C)C)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)CN |r|
Structure:
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