| Reaction Details |
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 | Report a problem with these data |
| Target | N-lysine methyltransferase SMYD2 |
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| Ligand | BDBM50180968 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_1585280 |
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| IC50 | 44±n/a nM |
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| Citation |  Eggert, E; Hillig, RC; Koehr, S; Stöckigt, D; Weiske, J; Barak, N; Mowat, J; Brumby, T; Christ, CD; Ter Laak, A; Lang, T; Fernandez-Montalvan, AE; Badock, V; Weinmann, H; Hartung, IV; Barsyte-Lovejoy, D; Szewczyk, M; Kennedy, S; Li, F; Vedadi, M; Brown, PJ; Santhakumar, V; Arrowsmith, CH; Stellfeld, T; Stresemann, C Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (BAY-598) for the Protein Lysine Methyltransferase SMYD2. J Med Chem59:4578-600 (2016) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| N-lysine methyltransferase SMYD2 |
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| Name: | N-lysine methyltransferase SMYD2 |
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| Synonyms: | HSKM-B | Histone methyltransferase SMYD2 | KMT3C | Lysine N-methyltransferase 3C | N-lysine methyltransferase SMYD2 | SET and MYND domain-containing protein 2 | SET and MYND domain-containing protein 2 (SMYD2) | SMYD2 | SMYD2_HUMAN |
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| Type: | Enzyme |
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| Mol. Mass.: | 49689.57 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q9NRG4 |
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| Residue: | 433 |
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| Sequence: | MRAEGLGGLERFCSPGKGRGLRALQPFQVGDLLFSCPAYAYVLTVNERGNHCEYCFTRKE
GLSKCGRCKQAFYCNVECQKEDWPMHKLECSPMVVFGENWNPSETVRLTARILAKQKIHP
ERTPSEKLLAVKEFESHLDKLDNEKKDLIQSDIAALHHFYSKHLGFPDNDSLVVLFAQVN
CNGFTIEDEELSHLGSAIFPDVALMNHSCCPNVIVTYKGTLAEVRAVQEIKPGEEVFTSY
IDLLYPTEDRNDRLRDSYFFTCECQECTTKDKDKAKVEIRKLSDPPKAEAIRDMVRYARN
VIEEFRRAKHYKSPSELLEICELSQEKMSSVFEDSNVYMLHMMYQAMGVCLYMQDWEGAL
QYGQKIIKPYSKHYPLYSLNVASMWLKLGRLYMGLEHKAAGEKALKKAIAIMEVAHGKDH
PYISEIKQEIESH
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| BDBM50180968 |
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| n/a |
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| Name | BDBM50180968 |
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| Synonyms: | CHEMBL3818080 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H19Cl3F2N6O3 |
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| Mol. Mass. | 559.78 |
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| SMILES | CCN([C@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1ccc(Cl)c(OC(F)F)c1)=N/C#N)C(=O)CO |r,c:6| |
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| Structure | 
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