Reaction Details Report a problem with these data
Target
Mitogen-activated protein kinase 10/8/9
Ligand
BDBM50492029
Substrate
n/a
Meas. Tech.
ChEMBL_965794 (CHEMBL2393733)
IC50
1000±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
More Info.:
Target
Name:
Mitogen-activated protein kinase 10/8/9
Synonyms:
c-Jun N-terminal kinase, JNK
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 216672
Components:
This complex has 3 components.
Component 1
Name:
Mitogen-activated protein kinase 8
Synonyms:
JNK-46 | JNK1 | JNK1-alpha-1 | MAPK8 | MK08_HUMAN | Mitogen-Activated Protein Kinase 8 (JNK1) | PRKM8 | SAPK1 | SAPK1C | Stress-activated protein kinase JNK1 | c-Jun N-terminal kinase 1 | c-Jun N-terminal kinase 1 (JNK1) | c-Jun N-terminal kinase 1(JNK1) | c-Jun N-terminal kinase 2 (JNK2)
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:
MSRSKRDNNFYSVEIGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDAILERNVAIKKLSRPFQNQTHAKRAYRELVLMKCVNHKNIIGLLNVFTPQKSLEEFQDVYIVMELMDANLCQVIQMELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTAGTSFMMTPYVVTRYYRAPEVILGMGYKENVDLWSVGCIMGEMVCHKILFPGRDYIDQWNKVIEQLGTPCPEFMKKLQPTVRTYVENRPKYAGYSFEKLFPDVLFPADSEHNKLKASQARDLLSKMLVIDASKRISVDEALQHPYINVWYDPSEAEAPPPKIPDKQLDEREHTIEEWKELIYKEVMDLEERTKNGVIRGQPSPLGAAVINGSQHPSSSSSVNDVSSMSTDPTLASDTDSSLEAAAGPLGCCR
Component 2
Name:
Mitogen-activated protein kinase 10
Synonyms:
JNK3 | JNK3A | MAP kinase p49 3F12 | MAPK10 | MK10_HUMAN | Mitogen-Activated Protein Kinase 10 (JNK3) | Mitogen-activated protein kinase 10 (Stress-activated protein kinase JNK3) (c-Jun N-terminal kinase 3) (MAP kinase p49 3F12) | Mitogen-activated protein kinase 10/Receptor-interacting serine/threonine-protein kinase 1 | PRKM10 | SAPK1B | Stress-activated protein kinase JNK3 | c-Jun N-terminal kinase 3 (JNK3)
Type:
Enzyme
Mol. Mass.:
52586.89
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
464
Sequence:
MSLHFLYYCSEPTLDVKIAFCQGFDKQVDVSYIAKHYNMSKSKVDNQFYSVEVGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDAVLDRNVAIKKLSRPFQNQTHAKRAYRELVLMKCVNHKNIISLLNVFTPQKTLEEFQDVYLVMELMDANLCQVIQMELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTAGTSFMMTPYVVTRYYRAPEVILGMGYKENVDIWSVGCIMGEMVRHKILFPGRDYIDQWNKVIEQLGTPCPEFMKKLQPTVRNYVENRPKYAGLTFPKLFPDSLFPADSEHNKLKASQARDLLSKMLVIDPAKRISVDDALQHPYINVWYDPAEVEAPPPQIYDKQLDEREHTIEEWKELIYKEVMNSEEKTKNGVVKGQPSPSGAAVNSSESLPPSSSVNDISSMSTDQTLASDTDSSLEASAGPLGCCR
Component 3
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:
BDBM50492029
Synonyms:
CHEMBL2390974
Type:
Small organic molecule
Emp. Form.:
C21H27N5O4S
Mol. Mass.:
445.535
SMILES:
CS(=O)(=O)CCCOc1cccc2n(ncc12)-c1ccnc(N[C@H]2CC[C@H](O)CC2)n1 |r,wU:23.24,wD:26.28,(24.35,-15.74,;23.55,-17.06,;23.51,-18.6,;24.86,-17.86,;22.01,-17.02,;21.21,-18.34,;19.67,-18.3,;18.87,-19.62,;17.33,-19.59,;16.54,-20.9,;14.99,-20.86,;14.26,-19.51,;15.06,-18.2,;14.61,-16.74,;15.88,-15.86,;17.11,-16.79,;16.6,-18.24,;13.16,-16.23,;13.16,-14.69,;11.82,-13.92,;10.49,-14.69,;10.5,-16.22,;9.16,-16.99,;9.16,-18.53,;10.49,-19.31,;10.49,-20.85,;9.16,-21.61,;9.16,-23.15,;7.83,-20.85,;7.83,-19.31,;11.83,-17,)|