Ki Summary

Reaction Details

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Target

Renin

Ligand

BDBM50259443

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_501175 (CHEMBL975288)

IC50

0.48±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 Chem52:3689-702 (2009) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Renin

Name:

Renin

Synonyms:

Angiotensinogenase | REN | RENI_HUMAN

Type:

Enzyme

Mol. Mass.:

45058.99

Organism:

Homo sapiens (Human)

Description:

n/a

Residue:

406

Sequence:

MDGWRRMPRWGLLLLLWGSCTFGLPTDTTTFKRIFLKRMPSIRESLKERGVDMARLGPEW
SQPMKRLTLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRL
YTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEM
PALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYNRDSENSQSLGG
QIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISG
STSSIEKLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKK
LCTLAIHAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR

BDBM50259443

n/a

Name

BDBM50259443

Synonyms:

(1R,5S)-3-Acetyl-7-{4-[3-(2,3,6-trifluoro-phenoxy)-propyl]-phenyl}-3,9-diaza-bicyclo[3.3.1]non-6-ene-6-carboxylic acid cyclopropyl-(2,3-dichloro-benzyl)-amide | CHEMBL444146

Type

Small organic molecule

Emp. Form.

C35H34Cl2F3N3O3

Mol. Mass.

672.564

SMILES

CC(=O)N1C[C@H]2CC(=C([C@@H](C1)N2)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1)c1ccc(CCCOc2c(F)ccc(F)c2F)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,(14.55,-11.37,;13.19,-10.65,;13.13,-9.11,;11.89,-11.47,;11.35,-12.95,;9.63,-12.61,;10.13,-11.36,;9.44,-10.84,;8.25,-10.26,;8.97,-11.77,;10.78,-12.1,;8.43,-13.24,;6.71,-10.2,;5.99,-8.84,;5.89,-11.51,;4.35,-11.45,;3.54,-12.76,;4.26,-14.11,;3.45,-15.41,;1.91,-15.36,;1.18,-14,;-.35,-13.94,;2,-12.7,;1.28,-11.33,;6.61,-12.87,;6.56,-14.41,;7.92,-13.69,;10.2,-9.5,;11.74,-9.5,;12.51,-8.17,;11.73,-6.83,;12.5,-5.5,;14.04,-5.49,;14.8,-4.15,;16.34,-4.15,;17.11,-2.81,;18.66,-2.81,;19.43,-4.14,;19.42,-1.48,;18.64,-.15,;17.09,-.17,;16.31,1.16,;16.34,-1.49,;14.8,-1.5,;10.19,-6.84,;9.43,-8.18,)|

Structure