Ki Summary

Reaction Details

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Target

Mitogen-activated protein kinase 9

Ligand

BDBM50578347

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2132759 (CHEMBL4842274)

IC50

6.0±n/a nM

Citation

Nagy, MA; Hilgraf, R; Mortensen, DS; Elsner, J; Norris, S; Tikhe, J; Yoon, W; Paisner, D; Delgado, M; Erdman, P; Haelewyn, J; Khambatta, G; Xu, L; Romanow, WJ; Condroski, K; Bahmanyar, S; McCarrick, M; Benish, B; Blease, K; LeBrun, L; Moghaddam, MF; Apuy, J; Canan, SS; Bennett, BL; Satoh, Y Discovery of the c-Jun N-Terminal Kinase Inhibitor J Med Chem64:18193-18208 (2021) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Mitogen-activated protein kinase 9

Name:

Mitogen-activated protein kinase 9

Synonyms:

Type:

Enzyme

Mol. Mass.:

48131.49

Organism:

Homo sapiens (Human)

Description:

JNK-2 was purchased from Upstate Cell Signaling Solutions (formerly Upstate Biotechnology).

Residue:

424

Sequence:

MSDSKCDSQFYSVQVADSTFTVLKRYQQLKPIGSGAQGIVCAAFDTVLGINVAVKKLSRP
FQNQTHAKRAYRELVLLKCVNHKNIISLLNVFTPQKTLEEFQDVYLVMELMDANLCQVIH
MELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTACTNF
MMTPYVVTRYYRAPEVILGMGYKENVDIWSVGCIMGELVKGCVIFQGTDHIDQWNKVIEQ
LGTPSAEFMKKLQPTVRNYVENRPKYPGIKFEELFPDWIFPSESERDKIKTSQARDLLSK
MLVIDPDKRISVDEALRHPYITVWYDPAEAEAPPPQIYDAQLEEREHAIEEWKELIYKEV
MDWEERSKNGVVKDQPSDAAVSSNATPSQSSSINDISSMSTEQTLASDTDSSLDASTGPL
EGCR

BDBM50578347

n/a

Name

BDBM50578347

Synonyms:

CHEMBL4853125

Type

Small organic molecule

Emp. Form.

C18H29N5O3

Mol. Mass.

363.4546

SMILES

CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@@H](O)C2)n1 |r,wU:5.8,18.18,wD:2.1,22.23,(41.41,-23.69,;42.75,-22.93,;44.08,-23.7,;44.07,-25.24,;45.41,-26.02,;46.73,-25.25,;46.74,-23.71,;45.42,-22.94,;48.07,-26.02,;49.4,-25.25,;49.4,-23.71,;50.73,-22.94,;52.07,-23.7,;53.4,-22.92,;54.73,-23.69,;53.39,-21.38,;52.08,-25.24,;53.41,-26.01,;53.42,-27.55,;52.09,-28.32,;52.09,-29.85,;53.43,-30.62,;54.76,-29.85,;56.1,-30.62,;54.76,-28.3,;50.73,-26.02,)|

Structure