Ki Summary

Reaction Details

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Target

Mitogen-activated protein kinase 8

Ligand

BDBM102602

Substrate/Competitor

n/a

Meas. Tech.

In Vitro Inhibition Assay

7.5±0

IC50

3.6±n/a nM

Citation

Gong, L; Han, X; Makra, F; Palmer, WS; Raptova, L Inhibitors of JNK US Patent US8536172 Publication Date 9/17/2013

More Info.:

Get all data from this article, Solution Info, Assay Method

Mitogen-activated protein kinase 8

Name:

Mitogen-activated protein kinase 8

Synonyms:

Type:

Enzyme

Mol. Mass.:

48297.57

Organism:

Homo sapiens (Human)

Description:

JNK-1 was purchased from Upstate Cell Signaling Solutions (formerly Upstate Biotechnology).

Residue:

427

Sequence:

MSRSKRDNNFYSVEIGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDAILERNVAIKKLSRP
FQNQTHAKRAYRELVLMKCVNHKNIIGLLNVFTPQKSLEEFQDVYIVMELMDANLCQVIQ
MELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTAGTSF
MMTPYVVTRYYRAPEVILGMGYKENVDLWSVGCIMGEMVCHKILFPGRDYIDQWNKVIEQ
LGTPCPEFMKKLQPTVRTYVENRPKYAGYSFEKLFPDVLFPADSEHNKLKASQARDLLSK
MLVIDASKRISVDEALQHPYINVWYDPSEAEAPPPKIPDKQLDEREHTIEEWKELIYKEV
MDLEERTKNGVIRGQPSPLGAAVINGSQHPSSSSSVNDVSSMSTDPTLASDTDSSLEAAA
GPLGCCR

BDBM102602

n/a

Name

BDBM102602

Synonyms:

US8536172, I-51

Type

Small organic molecule

Emp. Form.

C31H36F3N9O3S

Mol. Mass.

671.736

SMILES

CS(=O)(=O)C1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCn3c(C2)nnc3C(F)(F)F)n1 |r,wU:25.27,wD:28.34,(8.29,12.12,;7.2,11.03,;6.11,12.12,;8.29,9.94,;6.11,9.94,;6.51,8.46,;5.42,7.37,;3.93,7.77,;3.53,9.25,;4.62,10.34,;2.84,6.68,;3.47,5.27,;2.56,4.03,;1.03,4.19,;.4,5.59,;-1.06,6.07,;-1.06,7.61,;.4,8.08,;1.31,6.84,;-2.15,4.98,;-3.64,5.38,;-4.73,4.29,;-4.33,2.8,;-2.84,2.4,;-2.44,.92,;-3.53,-.17,;-3.13,-1.66,;-4.22,-2.75,;-5.71,-2.35,;-6.11,-.86,;-5.02,.23,;-6.8,-3.44,;-8.29,-3.04,;-6.4,-4.93,;-7.65,-5.83,;-7.48,-7.36,;-6.08,-7.99,;-4.83,-7.09,;-4.99,-5.55,;-3.59,-7.99,;-4.06,-9.46,;-5.6,-9.46,;-6.37,-10.79,;-5.6,-12.12,;-7.91,-10.79,;-7.14,-9.46,;-1.75,3.49,)|

Structure