| 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 | BDBM13216 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1721222 (CHEMBL4136222) |
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| IC50 | 100±n/a nM |
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| Citation |  Bistrovi?, A; Krstulovi?, L; Harej, A; Grb?i?, P; Sedi?, M; Ko?trun, S; Paveli?, SK; Baji?, M; Rai?-Mali?, S Design, synthesis and biological evaluation of novel benzimidazole amidines as potent multi-target inhibitors for the treatment of non-small cell lung cancer. Eur J Med Chem143:1616-1634 (2018) [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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| BDBM13216 |
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| n/a |
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| Name | BDBM13216 |
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| Synonyms: | BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl)]-2-methyl-4-pyrimidinyl]amino)]-1,3-thiazole-5-carboxamide | N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide | US10294227, Code Dasatinib | US20230348453, Compound A8 | cid_3062316 | med.21724, Compound Dasatinib |
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| Type | Small organic molecule |
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| Emp. Form. | C22H26ClN7O2S |
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| Mol. Mass. | 488.006 |
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| SMILES | Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 |
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| Structure | 
|
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