| Reaction Details |
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 | Report a problem with these data |
| Target | Glutathione S-transferase P/Lysine-specific histone demethylase 1A [158-852] |
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| Ligand | BDBM254581 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Biological Assay |
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| pH | 7.4±n/a |
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| Temperature | 310.15±n/a K |
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| IC50 | 34±n/a nM |
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| Comments | extracted |
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| 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 |
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| More Info.: | Get all data from this article, Assay Method |
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| |
| Glutathione S-transferase P/Lysine-specific histone demethylase 1A [158-852] |
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| Name: | Glutathione S-transferase P/Lysine-specific histone demethylase 1A [158-852] |
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| Synonyms: | GST-Lysine Specific Demethylase-1 (LSD1) |
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| Type: | Enzyme |
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| Mol. Mass.: | n/a |
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| Description: | n/a |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Glutathione S-transferase P |
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| 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) |
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| Type: | Enzyme |
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| Mol. Mass.: | 23353.53 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P09211 |
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| Residue: | 210 |
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| Sequence: | MPPYTVVYFPVRGRCAALRMLLADQGQSWKEEVVTVETWQEGSLKASCLYGQLPKFQDGD
LTLYQSNTILRHLGRTLGLYGKDQQEAALVDMVNDGVEDLRCKYISLIYTNYEAGKDDYV
KALPGQLKPFETLLSQNQGGKTFIVGDQISFADYNLLDLLLIHEVLAPGCLDAFPLLSAY
VGRLSARPKLKAFLASPEYVNLPINGNGKQ
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| Component 2 |
| Name: | Lysine-specific histone demethylase 1A [158-852] |
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| Synonyms: | AOF2 | KDM1 | KDM1A | KDM1A_HUMAN | KIAA0601 | LSD1 | Lysine Specific Demethylase-1 (LSD1) |
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| Type: | Enzyme |
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| Mol. Mass.: | 77140.81 |
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| Organism: | Homo sapiens (Human) |
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| Description: | aa 158-852 |
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| Residue: | 695 |
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| Sequence: | APPEEENESEPEEPSGVEGAAFQSRLPHDRMTSQEAACFPDIISGPQQTQKVFLFIRNRT
LQLWLDNPKIQLTFEATLQQLEAPYNSDTVLVHRVHSYLERHGLINFGIYKRIKPLPTKK
TGKVIIIGSGVSGLAAARQLQSFGMDVTLLEARDRVGGRVATFRKGNYVADLGAMVVTGL
GGNPMAVVSKQVNMELAKIKQKCPLYEANGQAVPKEKDEMVEQEFNRLLEATSYLSHQLD
FNVLNNKPVSLGQALEVVIQLQEKHVKDEQIEHWKKIVKTQEELKELLNKMVNLKEKIKE
LHQQYKEASEVKPPRDITAEFLVKSKHRDLTALCKEYDELAETQGKLEEKLQELEANPPS
DVYLSSRDRQILDWHFANLEFANATPLSTLSLKHWDQDDDFEFTGSHLTVRNGYSCVPVA
LAEGLDIKLNTAVRQVRYTASGCEVIAVNTRSTSQTFIYKCDAVLCTLPLGVLKQQPPAV
QFVPPLPEWKTSAVQRMGFGNLNKVVLCFDRVFWDPSVNLFGHVGSTTASRGELFLFWNL
YKAPILLALVAGEAAGIMENISDDVIVGRCLAILKGIFGSSAVPQPKETVVSRWRADPWA
RGSYSYVAAGSSGNDYDLMAQPITPGPSIPGAPQPIPRLFFAGEHTIRNYPATVHGALLS
GLREAGRIADQFLGAMYTLPRQATPGVPAQQSPSM
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| BDBM254581 |
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| n/a |
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| Name | BDBM254581 |
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| Synonyms: | US10214477, Example 40 | US9469597, 40 | US9670136, 40 N1-((trans)-2-(4-cyclopropylphenyl)cyclopropyl)cyclohexane-1,4-diamine |
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| Type | Small organic molecule |
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| Emp. Form. | C18H26N2 |
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| Mol. Mass. | 270.4124 |
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| SMILES | NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)C1CC1 |r,wU:10.12,wD:8.8,(7.54,3.36,;6.21,2.59,;6.21,1.05,;4.87,.28,;3.54,1.05,;3.54,2.59,;4.87,3.36,;2.21,.28,;.87,1.05,;.1,2.39,;-.67,1.05,;-2,.28,;-3.33,1.05,;-4.67,.28,;-4.67,-1.26,;-3.33,-2.03,;-2,-1.26,;-6,-2.03,;-7.54,-2.03,;-6.77,-3.36,)| |
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| Structure | 
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