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Target
Renin
Ligand
BDBM50259445
Substrate
n/a
Meas. Tech.
ChEMBL_501175 (CHEMBL975288)
IC50
0.29±n/a nM
Citation
 Bezençon, O; Bur, D; Weller, T; Richard-Bildstein, S; Remen, L; Sifferlen, T; Corminboeuf, O; Grisostomi, C; Boss, C; Prade, L; Delahaye, S; Treiber, A; Strickner, P; Binkert, C; Hess, P; Steiner, B; Fischli, W Design and preparation of potent, nonpeptidic, bioavailable renin inhibitors. J Med Chem 52:3689-702 (2009) [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:
BDBM50259445
Synonyms:
(1R,5S)-3-Acetyl-7-{4-[3-(2-chloro-3,6-difluoro-phenoxy)-propyl]-phenyl}-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxylic acid cyclopropyl-(2,3-dichloro-benzyl)-amide | CHEMBL454732
Type:
Small organic molecule
Emp. Form.:
C35H34Cl3F2N3O3
Mol. Mass.:
689.019
SMILES:
CC(=O)N1C[C@H]2CC(=C([C@@H](C1)N2)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1)c1ccc(CCCOc2c(F)ccc(F)c2Cl)cc1 |r,wU:9.11,wD:5.12,c:7,TLB:27:7:11:3.10.4,1:3:11:8.7.6,THB:12:8:11:3.10.4,(15.07,-12.49,;13.7,-11.78,;13.64,-10.24,;12.4,-12.6,;11.86,-14.07,;10.14,-13.73,;10.53,-12.41,;10.07,-11.42,;8.76,-11.39,;9.48,-12.9,;11.29,-13.23,;8.95,-14.36,;7.22,-11.33,;6.5,-9.97,;6.41,-12.64,;4.87,-12.58,;4.05,-13.89,;4.78,-15.24,;3.97,-16.54,;2.42,-16.49,;1.7,-15.13,;.16,-15.07,;2.52,-13.82,;1.8,-12.46,;7.13,-14,;7.08,-15.53,;8.44,-14.81,;10.72,-10.63,;12.26,-10.63,;13.02,-9.29,;12.25,-7.96,;13.01,-6.62,;14.55,-6.62,;15.32,-5.28,;16.86,-5.27,;17.62,-3.94,;19.17,-3.94,;19.94,-5.27,;19.93,-2.61,;19.16,-1.28,;17.61,-1.3,;16.83,.03,;16.85,-2.62,;15.31,-2.63,;10.7,-7.97,;9.94,-9.31,)|
Structure:
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