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Target
Renin
Ligand
BDBM50305442
Substrate
n/a
Meas. Tech.
ChEMBL_603747 (CHEMBL1039372)
IC50
1.5±n/a nM
Citation
 Xu, Z; Cacatian, S; Yuan, J; Simpson, RD; Jia, L; Zhao, W; Tice, CM; Flaherty, PT; Guo, J; Ishchenko, A; Singh, SB; Wu, Z; McKeever, BM; Scott, BB; Bukhtiyarov, Y; Berbaum, J; Mason, J; Panemangalore, R; Cappiello, MG; Bentley, R; Doe, CP; Harrison, RK; McGeehan, GM; Dillard, LW; Baldwin, JJ; Claremon, DA Optimization of orally bioavailable alkyl amine renin inhibitors. Bioorg Med Chem Lett 20:694-9 (2010) [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:
BDBM50305442
Synonyms:
(R)-3-((S)-1-(3-chlorophenyl)-1-hydroxy-4-propionamidobutyl)-N-((S)-1-cyclohexyl-3-(methylamino)propan-2-yl)piperidine-1-carboxamide | CHEMBL604248
Type:
Small organic molecule
Emp. Form.:
C29H47ClN4O3
Mol. Mass.:
535.161
SMILES:
CCC(=O)NCCC[C@](O)([C@@H]1CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)c1cccc(Cl)c1 |r|
Structure:
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