| Reaction Details |
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 | Report a problem with these data |
| Target | Histone deacetylase 1/2/3/8 |
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| Ligand | BDBM50522144 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1886064 (CHEMBL4387646) |
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| IC50 | 371±n/a nM |
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| Citation |  Daniel, L; Gotsbacher, MP; Richardson-Sanchez, T; Tieu, W; Codd, R Exploring hydroxamic acid inhibitors of HDAC1 and HDAC2 using small molecule tools and molecular or homology modelling. Bioorg Med Chem Lett29:2581-2586 (2019) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Histone deacetylase 1/2/3/8 |
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| Name: | Histone deacetylase 1/2/3/8 |
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| Synonyms: | Class 1 histone deacetylase |
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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 2015805 |
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| Components: | This complex has 4 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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| Component 4 |
| Name: | Histone deacetylase 8 |
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| Synonyms: | HD8 | HDAC8 | HDAC8_HUMAN | HDACL1 | Histone deacetylase 8 (HDAC-8) | Human HDAC8 |
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| Type: | Enzyme |
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| Mol. Mass.: | 41749.60 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q9BY41 |
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| Residue: | 377 |
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| Sequence: | MEEPEEPADSGQSLVPVYIYSPEYVSMCDSLAKIPKRASMVHSLIEAYALHKQMRIVKPK
VASMEEMATFHTDAYLQHLQKVSQEGDDDHPDSIEYGLGYDCPATEGIFDYAAAIGGATI
TAAQCLIDGMCKVAINWSGGWHHAKKDEASGFCYLNDAVLGILRLRRKFERILYVDLDLH
HGDGVEDAFSFTSKVMTVSLHKFSPGFFPGTGDVSDVGLGKGRYYSVNVPIQDGIQDEKY
YQICESVLKEVYQAFNPKAVVLQLGADTIAGDPMCSFNMTPVGIGKCLKYILQWQLATLI
LGGGGYNLANTARCWTYLTGVILGKTLSSEIPDHEFFTAYGPDYVLEITPSCRPDRNEPH
RIQQILNYIKGNLKHVV
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| BDBM50522144 |
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| n/a |
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| Name | BDBM50522144 |
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| Synonyms: | CHEMBL4466864 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H22N2O4 |
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| Mol. Mass. | 342.389 |
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| SMILES | COc1ccc(CNCc2ccc(\C=C\C(=O)NO)cc2)cc1OC |
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| Structure | 
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