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Target
Mitogen-activated protein kinase 9
Ligand
BDBM102617
Substrate
n/a
Meas. Tech.
ChEMBL_965795 (CHEMBL2393734)
IC50
17±n/a nM
Citation
 Gong, L; Han, X; Silva, T; Tan, YC; Goyal, B; Tivitmahaisoon, P; Trejo, A; Palmer, W; Hogg, H; Jahagir, A; Alam, M; Wagner, P; Stein, K; Filonova, L; Loe, B; Makra, F; Rotstein, D; Rapatova, L; Dunn, J; Zuo, F; Dal Porto, J; Wong, B; Jin, S; Chang, A; Tran, P; Hsieh, G; Niu, L; Shao, A; Reuter, D; Hermann, J; Kuglstatter, A; Goldstein, D Development of indole/indazole-aminopyrimidines as inhibitors of c-Jun N-terminal kinase (JNK): optimization for JNK potency and physicochemical properties. Bioorg Med Chem Lett 23:3565-9 (2013) [PubMed]  Article 
Target
Name:
Mitogen-activated protein kinase 9
Synonyms:
JNK-55 | JNK2 | JNK2/JNK3 | MAPK9 | MK09_HUMAN | Mitogen-Activated Protein Kinase 9 (JNK2) | Mitogen-activated protein kinase 8/9 | PRKM9 | SAPK1A | Stress-activated protein kinase JNK2 | c-Jun N-terminal kinase 2 | c-Jun N-terminal kinase 2 (JNK2)
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:
MSDSKCDSQFYSVQVADSTFTVLKRYQQLKPIGSGAQGIVCAAFDTVLGINVAVKKLSRPFQNQTHAKRAYRELVLLKCVNHKNIISLLNVFTPQKTLEEFQDVYLVMELMDANLCQVIHMELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTACTNFMMTPYVVTRYYRAPEVILGMGYKENVDIWSVGCIMGELVKGCVIFQGTDHIDQWNKVIEQLGTPSAEFMKKLQPTVRNYVENRPKYPGIKFEELFPDWIFPSESERDKIKTSQARDLLSKMLVIDPDKRISVDEALRHPYITVWYDPAEAEAPPPQIYDAQLEEREHAIEEWKELIYKEVMDWEERSKNGVVKDQPSDAAVSSNATPSQSSSINDISSMSTEQTLASDTDSSLDASTGPLEGCR
  
Inhibitor
Name:
BDBM102617
Synonyms:
US8536172, I-66
Type:
Small organic molecule
Emp. Form.:
C23H30N6O3S
Mol. Mass.:
470.588
SMILES:
CS(=O)(=O)C1CCN(CC1)c1cccc2n(ncc12)-c1ccnc(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:25.27,wD:28.31,(10.53,3.6,;9.19,2.83,;8.42,4.17,;9.96,1.5,;7.86,2.06,;7.86,.52,;6.52,-.25,;5.19,.52,;5.19,2.06,;6.52,2.83,;3.86,-.25,;3.86,-1.79,;2.52,-2.56,;1.19,-1.79,;1.19,-.25,;.04,.78,;.67,2.19,;2.2,2.03,;2.52,.52,;-1.5,.78,;-2.27,2.12,;-3.81,2.12,;-4.58,.78,;-3.81,-.55,;-4.58,-1.88,;-6.06,-2.28,;-6.46,-3.77,;-7.95,-4.17,;-9.04,-3.08,;-10.53,-3.48,;-8.64,-1.59,;-7.15,-1.19,;-2.27,-.55,)|
Structure:
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