Reaction Details |
| Report a problem with these data |
Target | Mitogen-activated protein kinase 10/8/9 |
---|
Ligand | BDBM102562 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_965794 (CHEMBL2393733) |
---|
IC50 | 820±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 Lett23:3565-9 (2013) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Mitogen-activated protein kinase 10/8/9 |
---|
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: | MSRSKRDNNFYSVEIGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDAILERNVAIKKLSRP
FQNQTHAKRAYRELVLMKCVNHKNIIGLLNVFTPQKSLEEFQDVYIVMELMDANLCQVIQ
MELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTAGTSF
MMTPYVVTRYYRAPEVILGMGYKENVDLWSVGCIMGEMVCHKILFPGRDYIDQWNKVIEQ
LGTPCPEFMKKLQPTVRTYVENRPKYAGYSFEKLFPDVLFPADSEHNKLKASQARDLLSK
MLVIDASKRISVDEALQHPYINVWYDPSEAEAPPPKIPDKQLDEREHTIEEWKELIYKEV
MDLEERTKNGVIRGQPSPLGAAVINGSQHPSSSSSVNDVSSMSTDPTLASDTDSSLEAAA
GPLGCCR
|
|
|
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: | MSLHFLYYCSEPTLDVKIAFCQGFDKQVDVSYIAKHYNMSKSKVDNQFYSVEVGDSTFTV
LKRYQNLKPIGSGAQGIVCAAYDAVLDRNVAIKKLSRPFQNQTHAKRAYRELVLMKCVNH
KNIISLLNVFTPQKTLEEFQDVYLVMELMDANLCQVIQMELDHERMSYLLYQMLCGIKHL
HSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTAGTSFMMTPYVVTRYYRAPEVILGMGY
KENVDIWSVGCIMGEMVRHKILFPGRDYIDQWNKVIEQLGTPCPEFMKKLQPTVRNYVEN
RPKYAGLTFPKLFPDSLFPADSEHNKLKASQARDLLSKMLVIDPAKRISVDDALQHPYIN
VWYDPAEVEAPPPQIYDKQLDEREHTIEEWKELIYKEVMNSEEKTKNGVVKGQPSPSGAA
VNSSESLPPSSSVNDISSMSTDQTLASDTDSSLEASAGPLGCCR
|
|
|
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: | MSDSKCDSQFYSVQVADSTFTVLKRYQQLKPIGSGAQGIVCAAFDTVLGINVAVKKLSRP
FQNQTHAKRAYRELVLLKCVNHKNIISLLNVFTPQKTLEEFQDVYLVMELMDANLCQVIH
MELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTACTNF
MMTPYVVTRYYRAPEVILGMGYKENVDIWSVGCIMGELVKGCVIFQGTDHIDQWNKVIEQ
LGTPSAEFMKKLQPTVRNYVENRPKYPGIKFEELFPDWIFPSESERDKIKTSQARDLLSK
MLVIDPDKRISVDEALRHPYITVWYDPAEAEAPPPQIYDAQLEEREHAIEEWKELIYKEV
MDWEERSKNGVVKDQPSDAAVSSNATPSQSSSINDISSMSTEQTLASDTDSSLDASTGPL
EGCR
|
|
|
BDBM102562 |
---|
n/a |
---|
Name | BDBM102562 |
Synonyms: | US8536172, I-11 |
Type | Small organic molecule |
Emp. Form. | C25H33N7O4S |
Mol. Mass. | 527.639 |
SMILES | CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nccc(n1)-n1ccc2c(cccc12)N1CCN(CC1)C(=O)CO |r,wU:8.11,wD:5.4,(-8.81,-3.47,;-7.48,-4.24,;-7.48,-5.78,;-6.14,-5.01,;-6.14,-3.47,;-6.14,-1.93,;-4.81,-1.16,;-4.81,.38,;-6.14,1.15,;-7.48,.38,;-7.48,-1.16,;-6.14,2.69,;-4.81,3.46,;-4.81,5,;-3.48,5.78,;-2.14,5,;-2.14,3.46,;-3.48,2.69,;-.81,2.69,;.66,3.17,;1.56,1.92,;.66,.68,;.98,-.83,;-.17,-1.86,;-1.63,-1.38,;-1.95,.12,;-.81,1.15,;2.46,-1.23,;2.86,-2.71,;4.35,-3.11,;5.44,-2.02,;5.04,-.54,;3.55,-.14,;6.93,-2.42,;8.01,-1.33,;7.32,-3.91,;8.81,-4.31,)| |
Structure |
|