| Reaction Details |
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 | Report a problem with these data |
| Target | Mitogen-activated protein kinase 11/12/13/14 |
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| Ligand | BDBM50089233 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1496174 (CHEMBL3578955) |
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| IC50 | >5000±n/a nM |
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| Citation |  Zheng, K; Park, CM; Iqbal, S; Hernandez, P; Park, H; LoGrasso, PV; Feng, Y Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) Inhibitors. ACS Med Chem Lett6:413-8 (2015) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Mitogen-activated protein kinase 11/12/13/14 |
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| Name: | Mitogen-activated protein kinase 11/12/13/14 |
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| Synonyms: | MAP kinase p38 |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 1935922 |
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| Components: | This complex has 4 components. |
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| Component 1 |
| Name: | Mitogen-activated protein kinase 13 |
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| Synonyms: | MAP kinase p38 delta | MAPK13 | MK13_HUMAN | Mitogen-activated protein kinase 13 | Mitogen-activated protein kinase 13 (MAPK13) | Mitogen-activated protein kinase p38 | Mitogen-activated protein kinase p38 delta | PRKM13 | SAPK4 | Stress-activated protein kinase 4 | p38 delta/gamma |
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| Type: | Enzyme |
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| Mol. Mass.: | 42097.16 |
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| Organism: | Homo sapiens (Human) |
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| Description: | O15264 |
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| Residue: | 365 |
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| Sequence: | MSLIRKKGFYKQDVNKTAWELPKTYVSPTHVGSGAYGSVCSAIDKRSGEKVAIKKLSRPF
QSEIFAKRAYRELLLLKHMQHENVIGLLDVFTPASSLRNFYDFYLVMPFMQTDLQKIMGM
EFSEEKIQYLVYQMLKGLKYIHSAGVVHRDLKPGNLAVNEDCELKILDFGLARHADAEMT
GYVVTRWYRAPEVILSWMHYNQTVDIWSVGCIMAEMLTGKTLFKGKDYLDQLTQILKVTG
VPGTEFVQKLNDKAAKSYIQSLPQTPRKDFTQLFPRASPQAADLLEKMLELDVDKRLTAA
QALTHPFFEPFRDPEEETEAQQPFDDSLEHEKLTVDEWKQHIYKEIVNFSPIARKDSRRR
SGMKL
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| Component 2 |
| Name: | Mitogen-activated protein kinase 11 |
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| Synonyms: | MAP kinase p38 | MAPK11 | MK11_HUMAN | Mitogen-activated protein kinase 11 | Mitogen-activated protein kinase p38 beta | PRKM11 | SAPK2 | SAPK2B | Stress-activated protein kinase 2 | p38 MAP kinase alpha/beta | p38-2 | p38-beta | p38b |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 41351.73 |
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| Organism: | Homo sapiens (Human) |
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| Description: | gi_20128774 |
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| Residue: | 364 |
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| Sequence: | MSGPRAGFYRQELNKTVWEVPQRLQGLRPVGSGAYGSVCSAYDARLRQKVAVKKLSRPFQ
SLIHARRTYRELRLLKHLKHENVIGLLDVFTPATSIEDFSEVYLVTTLMGADLNNIVKCQ
ALSDEHVQFLVYQLLRGLKYIHSAGIIHRDLKPSNVAVNEDCELRILDFGLARQADEEMT
GYVATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLQGKALFPGSDYIDQLKRIMEVVG
TPSPEVLAKISSEHARTYIQSLPPMPQKDLSSIFRGANPLAIDLLGRMLVLDSDQRVSAA
EALAHAYFSQYHDPEDEPEAEPYDESVEAKERTLEEWKELTYQEVLSFKPPEPPKPPGSL
EIEQ
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| Component 3 |
| Name: | Mitogen-activated protein kinase 14 |
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| Synonyms: | CSAID-binding protein | CSBP | CSBP1 | CSBP2 | CSPB1 | Cytokine suppressive anti-inflammatory drug-binding protein | MAP kinase 14 | MAP kinase MXI2 | MAP kinase p38 alpha | MAPK 14 | MAPK14 | MAX-interacting protein 2 | MK14_HUMAN | MXI2 | Mitogen-activated protein kinase p38 alpha | SAPK2A | Stress-activated protein kinase 2a | p38 MAP kinase alpha/beta |
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| Type: | Serine/threonine-protein kinase |
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| Mol. Mass.: | 41286.76 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q16539 |
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| Residue: | 360 |
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| Sequence: | MSQERPTFYRQELNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGLRVAVKKLSRPFQ
SIIHAKRTYRELRLLKHMKHENVIGLLDVFTPARSLEEFNDVYLVTHLMGADLNNIVKCQ
KLTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDCELKILDFGLARHTDDEMT
GYVATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLTGRTLFPGTDHIDQLKLILRLVG
TPGAELLKKISSESARNYIQSLTQMPKMNFANVFIGANPLAVDLLEKMLVLDSDKRITAA
QALAHAYFAQYHDPDDEPVADPYDQSFESRDLLIDEWKSLTYDEVISFVPPPLDQEEMES
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| Component 4 |
| Name: | Mitogen-activated protein kinase 12 |
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| Synonyms: | ERK6 | MAP kinase p38 gamma | MAPK12 | MK12_HUMAN | Mitogen-activated protein kinase 12 (MAPK12 p38 gamma) | Mitogen-activated protein kinase 12 (p38 gamma) | Mitogen-activated protein kinase 12 Gamma | Mitogen-activated protein kinase p38 gamma (p38 MAPKγ) | SAPK3 | p38 delta/gamma |
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| Type: | Protein |
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| Mol. Mass.: | 41938.69 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P53778 |
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| Residue: | 367 |
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| Sequence: | MSSPPPARSGFYRQEVTKTAWEVRAVYRDLQPVGSGAYGAVCSAVDGRTGAKVAIKKLYR
PFQSELFAKRAYRELRLLKHMRHENVIGLLDVFTPDETLDDFTDFYLVMPFMGTDLGKLM
KHEKLGEDRIQFLVYQMLKGLRYIHAAGIIHRDLKPGNLAVNEDCELKILDFGLARQADS
EMTGYVVTRWYRAPEVILNWMRYTQTVDIWSVGCIMAEMITGKTLFKGSDHLDQLKEIMK
VTGTPPAEFVQRLQSDEAKNYMKGLPELEKKDFASILTNASPLAVNLLEKMLVLDAEQRV
TAGEALAHPYFESLHDTEDEPQVQKYDDSFDDVDRTLDEWKRVTYKEVLSFKPPRQLGAR
VSKETPL
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| BDBM50089233 |
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| n/a |
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| Name | BDBM50089233 |
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| Synonyms: | CHEMBL3577868 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H30N6O2 |
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| Mol. Mass. | 386.4912 |
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| SMILES | CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:10.13,wD:7.6,(-6.67,-12.05,;-6.67,-10.81,;-7.74,-10.2,;-5.34,-10.04,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-2.67,-5.4,;-2.68,-3.86,;-4.02,-3.09,;-5.35,-3.86,;-5.35,-5.41,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)| |
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| Structure | 
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