Ki Summary

Reaction Details

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Target

Renin

Ligand

BDBM50434421

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_962066 (CHEMBL2388034)

IC50

1.3±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

BDBM50434421

n/a

Name

BDBM50434421

Synonyms:

CHEMBL2387571

Type

Small organic molecule

Emp. Form.

C31H46ClN5O4

Mol. Mass.

588.181

SMILES

CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NC1C2CC3CC1CC(C3)(C2)C(N)=O |r,wU:4.4,2.2,wD:6.6,TLB:27:28:34.37.35:30.31.32,27:28:32:34.35.36,37:35:28.29.30:32,38:35:28:30.31.32,THB:37:29:32:34.35.36,36:35:28:30.31.32,36:31:28:34.37.35,(14.47,-18.32,;13.13,-19.09,;13.13,-20.63,;11.8,-21.4,;10.46,-20.63,;10.47,-19.09,;9.13,-21.39,;7.8,-20.62,;9.13,-22.93,;7.79,-23.7,;6.46,-22.93,;5.12,-23.7,;3.78,-22.94,;5.13,-25.24,;6.46,-26.01,;7.79,-25.24,;9.27,-25.64,;8.19,-26.73,;3.79,-26.02,;2.45,-25.26,;1.13,-26.03,;1.12,-27.57,;2.46,-28.34,;3.79,-27.57,;5.13,-28.34,;14.47,-21.4,;14.46,-22.94,;15.8,-20.63,;17.13,-21.41,;18.63,-20.99,;18.63,-19.39,;19.67,-18.17,;18.32,-18.64,;18.33,-20.13,;19.66,-20.62,;21.05,-20.27,;21.07,-18.74,;20.04,-21.55,;22.38,-21.04,;23.71,-20.27,;22.38,-22.58,)|

Structure