Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50046774
Substrate
n/a
Meas. Tech.
ChEMBL_195746 (CHEMBL801598)
pH
7.4±n/a
IC50
18±n/a nM
Comments
extracted
Citation
 Rosenberg, SH; Spina, KP; Woods, KW; Polakowski, J; Martin, DL; Yao, Z; Stein, HH; Cohen, J; Barlow, JL; Egan, DA Studies directed toward the design of orally active renin inhibitors. 1. Some factors influencing the absorption of small peptides. J Med Chem 36:449-59 (1993) [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:
BDBM50046774
Synonyms:
2-Benzyl-N-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylcarbamoyl)-2-pyrazol-1-yl-ethyl]-4-(4-methyl-piperazin-1-yl)-4-oxo-butyramide | CHEMBL336932
Type:
Small organic molecule
Emp. Form.:
C36H56N6O5
Mol. Mass.:
652.867
SMILES:
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cn1cccn1)NC(=O)[C@@H](CC(=O)N1CCN(C)CC1)Cc1ccccc1
Structure:
Search PDB for entries with ligand similarity: