Ki Summary

Reaction Details

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Target

Renin

Ligand

BDBM50045689

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_195976 (CHEMBL807682)

IC50

5.3±n/a nM

Citation

Heitsch, H; Henning, R; Kleemann, HW; Linz, W; Nickel, WU; Ruppert, D; Urbach, H; Wagner, A Renin inhibitors containing a pyridyl amino diol derived C-terminus. J Med Chem36:2788-800 (1993) [PubMed]

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

BDBM50045689

n/a

Name

BDBM50045689

Synonyms:

4-Amino-cyclohexanecarboxylic acid [1-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-pyridin-2-yl-pentylcarbamoyl)-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-2-(4-methoxy-phenyl)-ethyl]-amide | CHEMBL94539

Type

Small organic molecule

Emp. Form.

C40H57N7O6

Mol. Mass.

731.9239

SMILES

COc1ccc(C[C@H](NC(=O)[C@@H]2CC[C@H](N)CC2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CCc2ccccn2)cc1 |wU:31.32,7.7,11.10,14.14,41.44,wD:21.21,39.42,(4.81,-5.44,;4.07,-6.79,;4.84,-8.12,;4.07,-9.47,;4.84,-10.8,;6.4,-10.8,;7.17,-12.13,;7.17,-13.67,;5.82,-14.44,;4.49,-13.66,;4.51,-12.12,;3.16,-14.42,;1.83,-13.63,;.5,-14.38,;.47,-15.92,;-.88,-16.68,;1.8,-16.71,;3.13,-15.96,;8.5,-14.45,;8.48,-15.99,;9.83,-13.7,;11.16,-14.47,;11.14,-16.01,;12.47,-16.78,;13.89,-16.17,;14.92,-17.32,;14.12,-18.65,;12.63,-18.32,;12.49,-13.7,;12.51,-12.16,;13.82,-14.47,;15.17,-13.72,;15.17,-12.18,;15.94,-10.85,;15.17,-9.52,;15.94,-8.17,;17.48,-8.17,;18.25,-9.52,;17.48,-10.85,;16.5,-14.49,;16.48,-16.03,;17.83,-13.74,;17.83,-12.2,;19.16,-14.51,;20.49,-13.75,;21.82,-14.54,;21.82,-16.08,;23.15,-16.85,;24.48,-16.1,;24.48,-14.54,;23.15,-13.77,;7.17,-9.45,;6.38,-8.1,)|

Structure