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Target
Renin
Ligand
BDBM50434424
Substrate
n/a
Meas. Tech.
ChEMBL_962065 (CHEMBL2388033)
IC50
7.3±n/a nM
Citation
 Nakamura, Y; Fujimoto, T; Ogawa, Y; Namiki, H; Suzuki, S; Asano, M; Sugita, C; Mochizuki, A; Miyazaki, S; Tamaki, K; Nagai, Y; Inoue, S; Nagayama, T; Kato, M; Chiba, K; Takasuna, K; Nishi, T Lead optimization of 5-amino-6-(2,2-dimethyl-5-oxo-4-phenylpiperazin-1-yl)-4-hydroxyhexanamides to reduce a cardiac safety issue: discovery of DS-8108b, an orally active renin inhibitor. Bioorg Med Chem 21:3175-96 (2013) [PubMed]  Article 
Target
Name:
Renin
Synonyms:
Angiotensinogenase | REN | RENI_MACFA
Type:
PROTEIN
Mol. Mass.:
45012.96
Organism:
Macaca fascicularis
Description:
ChEMBL_979177
Residue:
406
Sequence:
MDGWRRMPRWGLLLLLWGSCTFGLPTDTTTFKRIFLKRMPSIRESLKERGVDMARLGPEWSQPMKRLALGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNILSQGVLKEDVFSFYYNRDSENAQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
  
Inhibitor
Name:
BDBM50434424
Synonyms:
CHEMBL2387568
Type:
Small organic molecule
Emp. Form.:
C29H43ClN4O4
Mol. Mass.:
547.129
SMILES:
C[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:3.3,1.0,27.28,wD:5.5,34.37,TLB:26:27:37.33.34:31.30.29,26:27:29:37.34.36,35:34:27:31.30.29,THB:33:32:29:37.34.36,33:34:27.32.31:29,36:34:27:31.30.29,36:30:27:37.33.34,(36.05,-54.18,;36.05,-55.72,;34.71,-56.49,;33.38,-55.72,;33.38,-54.18,;32.04,-56.49,;30.71,-55.71,;32.04,-58.03,;30.71,-58.79,;29.37,-58.03,;28.03,-58.8,;26.7,-58.03,;28.04,-60.33,;29.38,-61.1,;30.7,-60.33,;32.19,-60.73,;31.1,-61.82,;26.7,-61.11,;25.37,-60.35,;24.04,-61.12,;24.04,-62.66,;25.37,-63.43,;26.71,-62.66,;28.04,-63.43,;37.38,-56.49,;37.38,-58.03,;38.71,-55.73,;40.05,-56.5,;41.24,-55.22,;41.23,-53.74,;42.58,-53.26,;41.54,-54.49,;41.55,-56.08,;42.95,-56.64,;43.97,-55.37,;45.29,-56.13,;43.98,-53.84,;42.57,-55.71,)|
Structure:
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