Ki Summary

Reaction Details

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Target

Renin

Ligand

BDBM50434425

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_962066 (CHEMBL2388034)

IC50

0.900000±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 Chem21:3175-96 (2013) [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

BDBM50434425

n/a

Name

BDBM50434425

Synonyms:

CHEMBL2387567

Type

Small organic molecule

Emp. Form.

C30H45ClN4O4

Mol. Mass.

561.156

SMILES

CC[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:4.4,2.2,28.29,wD:6.6,35.38,TLB:27:28:38.34.35:32.31.30,27:28:30:38.35.37,36:35:28:32.31.30,THB:34:33:30:38.35.37,34:35:28.33.32:30,37:35:28:32.31.30,37:31:28:38.34.35,(14.26,-52.83,;12.92,-53.6,;12.92,-55.14,;11.59,-55.9,;10.25,-55.13,;10.26,-53.59,;8.92,-55.9,;7.59,-55.13,;8.92,-57.44,;7.58,-58.21,;6.25,-57.44,;4.91,-58.21,;3.57,-57.44,;4.92,-59.75,;6.25,-60.52,;7.58,-59.75,;9.06,-60.14,;7.97,-61.23,;3.58,-60.53,;2.24,-59.76,;.92,-60.53,;.91,-62.08,;2.25,-62.85,;3.58,-62.08,;4.92,-62.85,;14.25,-55.91,;14.25,-57.45,;15.59,-55.14,;16.92,-55.91,;18.12,-54.64,;18.11,-53.15,;19.46,-52.67,;18.42,-53.9,;18.42,-55.49,;19.83,-56.06,;20.84,-54.78,;22.17,-55.55,;20.85,-53.25,;19.45,-55.13,)|

Structure