Ki Summary

Reaction Details

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Target

Renin

Ligand

BDBM50259448

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_501175 (CHEMBL975288)

IC50

10±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

BDBM50259448

n/a

Name

BDBM50259448

Synonyms:

(1R,5S)-3-Acetyl-7-{4-[2-(3-chloro-phenoxy)-ethoxy]-phenyl}-3,9-diaza-bicyclo[3.3.1]non-6-ene-6-carboxylic acid cyclopropyl-(2,3-dichloro-benzyl)-amide | CHEMBL509242

Type

Small organic molecule

Emp. Form.

C34H34Cl3N3O4

Mol. Mass.

655.01

SMILES

CC(=O)N1C[C@H]2CC(=C([C@@H](C1)N2)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1)c1ccc(OCCOc2cccc(Cl)c2)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,(15.38,-10.7,;14.01,-9.98,;13.95,-8.44,;12.71,-10.81,;12.17,-12.28,;10.45,-11.94,;10.83,-10.38,;10.36,-9.56,;9.07,-9.59,;9.79,-11.1,;11.6,-11.43,;9.26,-12.57,;7.53,-9.54,;6.81,-8.18,;6.72,-10.84,;5.18,-10.79,;4.36,-12.09,;5.09,-13.44,;4.28,-14.75,;2.73,-14.69,;2.01,-13.33,;.47,-13.28,;2.83,-12.03,;2.11,-10.67,;7.44,-12.2,;7.39,-13.74,;8.75,-13.02,;11.03,-8.83,;12.57,-8.83,;13.33,-7.5,;12.56,-6.17,;13.32,-4.83,;14.86,-4.82,;15.63,-3.48,;17.17,-3.48,;17.93,-2.14,;17.16,-.82,;17.92,.5,;19.47,.52,;20.24,-.81,;21.73,-1.21,;19.48,-2.14,;11.01,-6.18,;10.25,-7.51,)|

Structure