Reaction Details |
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Target | Mitogen-activated protein kinase 11/12/13/14 |
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Ligand | BDBM50122922 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_212759 (CHEMBL818992) |
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IC50 | 161±n/a nM |
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Citation | Colletti, SL; Frie, JL; Dixon, EC; Singh, SB; Choi, BK; Scapin, G; Fitzgerald, CE; Kumar, S; Nichols, EA; O'Keefe, SJ; O'Neill, EA; Porter, G; Samuel, K; Schmatz, DM; Schwartz, CD; Shoop, WL; Thompson, CM; Thompson, JE; Wang, R; Woods, A; Zaller, DM; Doherty, JB Hybrid-designed inhibitors of p38 MAP kinase utilizing N-arylpyridazinones. J Med Chem46:349-52 (2003) [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 |
Synonyms: | MAP kinase p38 |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 1935922 |
Components: | This complex has 4 components. |
Component 1 |
Name: | Mitogen-activated protein kinase 13 |
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 |
Type: | Enzyme |
Mol. Mass.: | 42097.16 |
Organism: | Homo sapiens (Human) |
Description: | O15264 |
Residue: | 365 |
Sequence: | MSLIRKKGFYKQDVNKTAWELPKTYVSPTHVGSGAYGSVCSAIDKRSGEKVAIKKLSRPF
QSEIFAKRAYRELLLLKHMQHENVIGLLDVFTPASSLRNFYDFYLVMPFMQTDLQKIMGM
EFSEEKIQYLVYQMLKGLKYIHSAGVVHRDLKPGNLAVNEDCELKILDFGLARHADAEMT
GYVVTRWYRAPEVILSWMHYNQTVDIWSVGCIMAEMLTGKTLFKGKDYLDQLTQILKVTG
VPGTEFVQKLNDKAAKSYIQSLPQTPRKDFTQLFPRASPQAADLLEKMLELDVDKRLTAA
QALTHPFFEPFRDPEEETEAQQPFDDSLEHEKLTVDEWKQHIYKEIVNFSPIARKDSRRR
SGMKL
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Component 2 |
Name: | Mitogen-activated protein kinase 11 |
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 |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 41351.73 |
Organism: | Homo sapiens (Human) |
Description: | gi_20128774 |
Residue: | 364 |
Sequence: | MSGPRAGFYRQELNKTVWEVPQRLQGLRPVGSGAYGSVCSAYDARLRQKVAVKKLSRPFQ
SLIHARRTYRELRLLKHLKHENVIGLLDVFTPATSIEDFSEVYLVTTLMGADLNNIVKCQ
ALSDEHVQFLVYQLLRGLKYIHSAGIIHRDLKPSNVAVNEDCELRILDFGLARQADEEMT
GYVATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLQGKALFPGSDYIDQLKRIMEVVG
TPSPEVLAKISSEHARTYIQSLPPMPQKDLSSIFRGANPLAIDLLGRMLVLDSDQRVSAA
EALAHAYFSQYHDPEDEPEAEPYDESVEAKERTLEEWKELTYQEVLSFKPPEPPKPPGSL
EIEQ
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Component 3 |
Name: | Mitogen-activated protein kinase 14 |
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 |
Type: | Serine/threonine-protein kinase |
Mol. Mass.: | 41286.76 |
Organism: | Homo sapiens (Human) |
Description: | Q16539 |
Residue: | 360 |
Sequence: | MSQERPTFYRQELNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGLRVAVKKLSRPFQ
SIIHAKRTYRELRLLKHMKHENVIGLLDVFTPARSLEEFNDVYLVTHLMGADLNNIVKCQ
KLTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDCELKILDFGLARHTDDEMT
GYVATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLTGRTLFPGTDHIDQLKLILRLVG
TPGAELLKKISSESARNYIQSLTQMPKMNFANVFIGANPLAVDLLEKMLVLDSDKRITAA
QALAHAYFAQYHDPDDEPVADPYDQSFESRDLLIDEWKSLTYDEVISFVPPPLDQEEMES
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Component 4 |
Name: | Mitogen-activated protein kinase 12 |
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 |
Type: | Protein |
Mol. Mass.: | 41938.69 |
Organism: | Homo sapiens (Human) |
Description: | P53778 |
Residue: | 367 |
Sequence: | MSSPPPARSGFYRQEVTKTAWEVRAVYRDLQPVGSGAYGAVCSAVDGRTGAKVAIKKLYR
PFQSELFAKRAYRELRLLKHMRHENVIGLLDVFTPDETLDDFTDFYLVMPFMGTDLGKLM
KHEKLGEDRIQFLVYQMLKGLRYIHAAGIIHRDLKPGNLAVNEDCELKILDFGLARQADS
EMTGYVVTRWYRAPEVILNWMRYTQTVDIWSVGCIMAEMITGKTLFKGSDHLDQLKEIMK
VTGTPPAEFVQRLQSDEAKNYMKGLPELEKKDFASILTNASPLAVNLLEKMLVLDAEQRV
TAGEALAHPYFESLHDTEDEPQVQKYDDSFDDVDRTLDEWKRVTYKEVLSFKPPRQLGAR
VSKETPL
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BDBM50122922 |
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n/a |
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Name | BDBM50122922 |
Synonyms: | 6-[2-(2-Chloro-4-fluoro-phenyl)-imidazo[1,2-a]pyridin-3-yl]-2-(2,6-dichloro-phenyl)-2H-pyridazin-3-one | CHEMBL118768 |
Type | Small organic molecule |
Emp. Form. | C23H12Cl3FN4O |
Mol. Mass. | 485.725 |
SMILES | Fc1ccc(-c2nc3ccccn3c2-c2ccc(=O)n(n2)-c2c(Cl)cccc2Cl)c(Cl)c1 |(2.33,-8.2,;3.67,-7.43,;3.51,-5.89,;4.77,-5,;6.17,-5.63,;7.4,-4.74,;8.87,-5.23,;9.78,-3.99,;11.32,-3.83,;11.95,-2.43,;11.04,-1.17,;9.52,-1.34,;8.89,-2.73,;7.42,-3.2,;6.1,-2.41,;4.76,-3.18,;3.43,-2.41,;3.44,-.87,;2.11,-.1,;4.77,-.12,;6.1,-.87,;4.77,1.42,;6.1,2.19,;7.44,1.42,;6.1,3.75,;4.77,4.52,;3.44,3.73,;3.44,2.19,;2.1,1.42,;6.32,-7.16,;7.73,-7.79,;5.09,-8.06,)| |
Structure |
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