| Reaction Details |
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 | Report a problem with these data |
| Target | Histone deacetylase 1/2/3 |
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| Ligand | BDBM50380399 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1619166 (CHEMBL3861335) |
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| IC50 | >2000±n/a nM |
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| Citation |  Zwick, V; Simões-Pires, CA; Nurisso, A; Petit, C; Dos Santos Passos, C; Randazzo, GM; Martinet, N; Bertrand, P; Cuendet, M Synthesis of a selective HDAC6 inhibitor active in neuroblasts. Bioorg Med Chem Lett26:4955-4959 (2016) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Histone deacetylase 1/2/3 |
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| Name: | Histone deacetylase 1/2/3 |
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| Synonyms: | n/a |
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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 1815634 |
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| Components: | This complex has 3 components. |
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| Component 1 |
| Name: | Histone deacetylase 1 |
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| Synonyms: | Cereblon/Histone deacetylase 1 | HD1 | HDAC1 | HDAC1_HUMAN | Histone deacetylase 1 (HDAC1) | Human HDAC1 | RPD3L1 |
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| Type: | Enzyme |
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| Mol. Mass.: | 55090.27 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q13547 |
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| Residue: | 482 |
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| Sequence: | MAQTQGTRRKVCYYYDGDVGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRKMEIYRPHKAN
AEEMTKYHSDDYIKFLRSIRPDNMSEYSKQMQRFNVGEDCPVFDGLFEFCQLSTGGSVAS
AVKLNKQQTDIAVNWAGGLHHAKKSEASGFCYVNDIVLAILELLKYHQRVLYIDIDIHHG
DGVEEAFYTTDRVMTVSFHKYGEYFPGTGDLRDIGAGKGKYYAVNYPLRDGIDDESYEAI
FKPVMSKVMEMFQPSAVVLQCGSDSLSGDRLGCFNLTIKGHAKCVEFVKSFNLPMLMLGG
GGYTIRNVARCWTYETAVALDTEIPNELPYNDYFEYFGPDFKLHISPSNMTNQNTNEYLE
KIKQRLFENLRMLPHAPGVQMQAIPEDAIPEESGDEDEDDPDKRISICSSDKRIACEEEF
SDSEEEGEGGRKNSSNFKKAKRVKTEDEKEKDPEEKKEVTEEEKTKEEKPEAKGVKEEVK
LA
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| Component 2 |
| Name: | Histone deacetylase 3 |
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| Synonyms: | HD3 | HDAC3 | HDAC3_HUMAN | Histone deacetylase 3 (HDAC3) | Human HDAC3 | RPD3-2 | SMAP45 |
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| Type: | Enzyme |
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| Mol. Mass.: | 48829.55 |
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| Organism: | Homo sapiens (Human) |
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| Description: | O15379 |
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| Residue: | 428 |
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| Sequence: | MAKTVAYFYDPDVGNFHYGAGHPMKPHRLALTHSLVLHYGLYKKMIVFKPYQASQHDMCR
FHSEDYIDFLQRVSPTNMQGFTKSLNAFNVGDDCPVFPGLFEFCSRYTGASLQGATQLNN
KICDIAINWAGGLHHAKKFEASGFCYVNDIVIGILELLKYHPRVLYIDIDIHHGDGVQEA
FYLTDRVMTVSFHKYGNYFFPGTGDMYEVGAESGRYYCLNVPLRDGIDDQSYKHLFQPVI
NQVVDFYQPTCIVLQCGADSLGCDRLGCFNLSIRGHGECVEYVKSFNIPLLVLGGGGYTV
RNVARCWTYETSLLVEEAISEELPYSEYFEYFAPDFTLHPDVSTRIENQNSRQYLDQIRQ
TIFENLKMLNHAPSVQIHDVPADLLTYDRTDEADAEERGPEENYSRPEAPNEFYDGDHDN
DKESDVEI
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| Component 3 |
| Name: | Histone deacetylase 2 |
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| Synonyms: | Cereblon/Histone deacetylase 2 | HD2 | HDAC2 | HDAC2_HUMAN | Histone deacetylase 2 (HDAC2) | Human HDAC2 |
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| Type: | Chromatin regulator; hydrolase; repressor |
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| Mol. Mass.: | 55356.54 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q92769 |
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| Residue: | 488 |
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| Sequence: | MAYSQGGGKKKVCYYYDGDIGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRKMEIYRPHKA
TAEEMTKYHSDEYIKFLRSIRPDNMSEYSKQMQRFNVGEDCPVFDGLFEFCQLSTGGSVA
GAVKLNRQQTDMAVNWAGGLHHAKKSEASGFCYVNDIVLAILELLKYHQRVLYIDIDIHH
GDGVEEAFYTTDRVMTVSFHKYGEYFPGTGDLRDIGAGKGKYYAVNFPMRDGIDDESYGQ
IFKPIISKVMEMYQPSAVVLQCGADSLSGDRLGCFNLTVKGHAKCVEVVKTFNLPLLMLG
GGGYTIRNVARCWTYETAVALDCEIPNELPYNDYFEYFGPDFKLHISPSNMTNQNTPEYM
EKIKQRLFENLRMLPHAPGVQMQAIPEDAVHEDSGDEDGEDPDKRISIRASDKRIACDEE
FSDSEDEGEGGRRNVADHKKGAKKARIEEDKKETEDKKTDVKEEDKSKDNSGEKTDTKGT
KSEQLSNP
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| BDBM50380399 |
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| n/a |
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| Name | BDBM50380399 |
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| Synonyms: | CHEMBL2018302 | Tubastatin A | US10227295, Compound Tubastatin A | US10456394, Tubastatin A | US11207431, Example D | US8748451, 6 | US9249087, Tubacin | US9751832, Tubastatin A | US9956192, Compound Tubastatin-A |
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| Type | Small organic molecule |
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| Emp. Form. | C20H21N3O2 |
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| Mol. Mass. | 335.3996 |
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| SMILES | CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO |
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| Structure | 
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