Reaction Details |
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Target | Lysine-specific histone demethylase 1A/REST corepressor 1 |
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Ligand | BDBM50236459 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1659178 (CHEMBL4008790) |
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IC50 | 64±n/a nM |
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Citation | Vianello, P; Sartori, L; Amigoni, F; Cappa, A; Fagá, G; Fattori, R; Legnaghi, E; Ciossani, G; Mattevi, A; Meroni, G; Moretti, L; Cecatiello, V; Pasqualato, S; Romussi, A; Thaler, F; Trifiró, P; Villa, M; Botrugno, OA; Dessanti, P; Minucci, S; Vultaggio, S; Zagarrí, E; Varasi, M; Mercurio, C Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship. J Med Chem60:1693-1715 (2017) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Lysine-specific histone demethylase 1A/REST corepressor 1 |
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Name: | Lysine-specific histone demethylase 1A/REST corepressor 1 |
Synonyms: | LSD1/CoREST complex |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 1659159 |
Components: | This complex has 2 components. |
Component 1 |
Name: | Lysine-specific histone demethylase 1A |
Synonyms: | AOF2 | BRAF35-HDAC complex protein BHC110 | Flavin-containing amine oxidase domain-containing protein 2 | KDM1 | KDM1A | KDM1A_HUMAN | KIAA0601 | LSD1 | Lysine-specific demethylase 1 (LSD1) | Lysine-specific histone demethylase 1 | Lysine-specific histone demethylase 1 (LSD1) |
Type: | Enzyme |
Mol. Mass.: | 92901.01 |
Organism: | Homo sapiens (Human) |
Description: | O60341 |
Residue: | 852 |
Sequence: | MLSGKKAAAAAAAAAAAATGTEAGPGTAGGSENGSEVAAQPAGLSGPAEVGPGAVGERTP
RKKEPPRASPPGGLAEPPGSAGPQAGPTVVPGSATPMETGIAETPEGRRTSRRKRAKVEY
REMDESLANLSEDEYYSEEERNAKAEKEKKLPPPPPQAPPEEENESEPEEPSGVEGAAFQ
SRLPHDRMTSQEAACFPDIISGPQQTQKVFLFIRNRTLQLWLDNPKIQLTFEATLQQLEA
PYNSDTVLVHRVHSYLERHGLINFGIYKRIKPLPTKKTGKVIIIGSGVSGLAAARQLQSF
GMDVTLLEARDRVGGRVATFRKGNYVADLGAMVVTGLGGNPMAVVSKQVNMELAKIKQKC
PLYEANGQAVPKEKDEMVEQEFNRLLEATSYLSHQLDFNVLNNKPVSLGQALEVVIQLQE
KHVKDEQIEHWKKIVKTQEELKELLNKMVNLKEKIKELHQQYKEASEVKPPRDITAEFLV
KSKHRDLTALCKEYDELAETQGKLEEKLQELEANPPSDVYLSSRDRQILDWHFANLEFAN
ATPLSTLSLKHWDQDDDFEFTGSHLTVRNGYSCVPVALAEGLDIKLNTAVRQVRYTASGC
EVIAVNTRSTSQTFIYKCDAVLCTLPLGVLKQQPPAVQFVPPLPEWKTSAVQRMGFGNLN
KVVLCFDRVFWDPSVNLFGHVGSTTASRGELFLFWNLYKAPILLALVAGEAAGIMENISD
DVIVGRCLAILKGIFGSSAVPQPKETVVSRWRADPWARGSYSYVAAGSSGNDYDLMAQPI
TPGPSIPGAPQPIPRLFFAGEHTIRNYPATVHGALLSGLREAGRIADQFLGAMYTLPRQA
TPGVPAQQSPSM
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Component 2 |
Name: | REST corepressor 1 |
Synonyms: | KIAA0071 | Protein CoREST | RCOR | RCOR1 | RCOR1_HUMAN | REST corepressor 1 |
Type: | PROTEIN |
Mol. Mass.: | 53329.34 |
Organism: | Homo sapiens (Human) |
Description: | ChEMBL_108118 |
Residue: | 485 |
Sequence: | MPAMVEKGPEVSGKRRGRNNAAASASAAAASAAASAACASPAATAASGAAASSASAAAAS
AAAAPNNGQNKSLAAAAPNGNSSSNSWEEGSSGSSSDEEHGGGGMRVGPQYQAVVPDFDP
AKLARRSQERDNLGMLVWSPNQNLSEAKLDEYIAIAKEKHGYNMEQALGMLFWHKHNIEK
SLADLPNFTPFPDEWTVEDKVLFEQAFSFHGKTFHRIQQMLPDKSIASLVKFYYSWKKTR
TKTSVMDRHARKQKREREESEDELEEANGNNPIDIEVDQNKESKKEVPPTETVPQVKKEK
HSTQAKNRAKRKPPKGMFLSQEDVEAVSANATAATTVLRQLDMELVSVKRQIQNIKQTNS
ALKEKLDGGIEPYRLPEVIQKCNARWTTEEQLLAVQAIRKYGRDFQAISDVIGNKSVVQV
KNFFVNYRRRFNIDEVLQEWEAEHGKEETNGPSNQKPVKSPDNSIKMPEEEDEAPVLDVR
YASAS
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BDBM50236459 |
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n/a |
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Name | BDBM50236459 |
Synonyms: | CHEMBL4100964 |
Type | Small organic molecule |
Emp. Form. | C27H29N3O3S |
Mol. Mass. | 475.602 |
SMILES | Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OC2CCCNCC2)cc1 |
Structure |
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