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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Glutathione S-transferase P/Lysine-specific histone demethylase 1A [158-852] | ||
| Ligand | BDBM254598 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Biological Assay | ||
| pH | 7.4±n/a | ||
| Temperature | 310.15±n/a K | ||
| IC50 | 12±n/a nM | ||
| Comments | extracted | ||
| Citation |  Ortega Muñoz, A; Fyfe, MC; Martinell Pedemonte, M; Estiarte Martínez, M; Valls Vidal, N; Kurz, G; Castro Palomino Laria, JC (Hetero)aryl cyclopropylamine compounds as LSD1 inhibitors US Patent US9469597 Publication Date 10/18/2016 | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Glutathione S-transferase P/Lysine-specific histone demethylase 1A [158-852] | |||
| Name: | Glutathione S-transferase P/Lysine-specific histone demethylase 1A [158-852] | ||
| Synonyms: | GST-Lysine Specific Demethylase-1 (LSD1) | ||
| Type: | Enzyme | ||
| Mol. Mass.: | n/a | ||
| Description: | n/a | ||
| Components: | This complex has 2 components. | ||
| Component 1 | |||
| Name: | Glutathione S-transferase P | ||
| Synonyms: | FAEES3 | GST class-pi | GST3 | GSTP1 | GSTP1-1 | GSTP1_HUMAN | Glutathione S-transferase | Glutathione S-transferase (GST) | Glutathione S-transferase P | Glutathione S-transferase Pi | Glutathione transferase (GST) | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 23353.53 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P09211 | ||
| Residue: | 210 | ||
| Sequence: |
| ||
| Component 2 | |||
| Name: | Lysine-specific histone demethylase 1A [158-852] | ||
| Synonyms: | AOF2 | KDM1 | KDM1A | KDM1A_HUMAN | KIAA0601 | LSD1 | Lysine Specific Demethylase-1 (LSD1) | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 77140.81 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | aa 158-852 | ||
| Residue: | 695 | ||
| Sequence: |
| ||
| BDBM254598 | |||
| n/a | |||
| Name | BDBM254598 | ||
| Synonyms: | US10214477, Example 57 | US9469597, 57 | US9670136, 57 N1-((trans)-2-(4-((2-fluorobenzyl)oxy)phenyl)cyclopropyl)cyclohexane-1,4-diamine | ||
| Type | Small organic molecule | ||
| Emp. Form. | C22H27FN2O | ||
| Mol. Mass. | 354.461 | ||
| SMILES | NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(OCc2ccccc2F)cc1 |r,wU:10.12,wD:8.8,(9.44,3.85,;8.11,3.08,;8.11,1.54,;6.77,.77,;5.44,1.54,;5.44,3.08,;6.77,3.85,;4.1,.77,;2.77,1.54,;2,2.87,;1.23,1.54,;-.1,.77,;-.1,-.77,;-1.44,-1.54,;-2.77,-.77,;-4.1,-1.54,;-5.44,-.77,;-6.77,-1.54,;-8.11,-.77,;-9.44,-1.54,;-9.44,-3.08,;-8.11,-3.85,;-6.77,-3.08,;-5.44,-3.85,;-2.77,.77,;-1.44,1.54,)| | ||
| Structure | 
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