Reaction Details |
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Target | Histone deacetylase (HDAC1 and HDAC2) |
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Ligand | BDBM50251243 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1683516 (CHEMBL4033995) |
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IC50 | 138±n/a nM |
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Citation | Chen, C; Hou, X; Wang, G; Pan, W; Yang, X; Zhang, Y; Fang, H Design, synthesis and biological evaluation of quinoline derivatives as HDAC class I inhibitors. Eur J Med Chem133:11-23 (2017) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Histone deacetylase (HDAC1 and HDAC2) |
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Name: | Histone deacetylase (HDAC1 and HDAC2) |
Synonyms: | HDACs | Histone deacetylase 1/2 |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 2197604 |
Components: | This complex has 2 components. |
Component 1 |
Name: | Histone deacetylase 1 |
Synonyms: | Cereblon/Histone deacetylase 1 | HD1 | HDAC1 | HDAC1_HUMAN | Histone deacetylase 1 (HDAC1) | Human HDAC1 | RPD3L1 |
Type: | Enzyme |
Mol. Mass.: | 55090.27 |
Organism: | Homo sapiens (Human) |
Description: | Q13547 |
Residue: | 482 |
Sequence: | MAQTQGTRRKVCYYYDGDVGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRKMEIYRPHKAN
AEEMTKYHSDDYIKFLRSIRPDNMSEYSKQMQRFNVGEDCPVFDGLFEFCQLSTGGSVAS
AVKLNKQQTDIAVNWAGGLHHAKKSEASGFCYVNDIVLAILELLKYHQRVLYIDIDIHHG
DGVEEAFYTTDRVMTVSFHKYGEYFPGTGDLRDIGAGKGKYYAVNYPLRDGIDDESYEAI
FKPVMSKVMEMFQPSAVVLQCGSDSLSGDRLGCFNLTIKGHAKCVEFVKSFNLPMLMLGG
GGYTIRNVARCWTYETAVALDTEIPNELPYNDYFEYFGPDFKLHISPSNMTNQNTNEYLE
KIKQRLFENLRMLPHAPGVQMQAIPEDAIPEESGDEDEDDPDKRISICSSDKRIACEEEF
SDSEEEGEGGRKNSSNFKKAKRVKTEDEKEKDPEEKKEVTEEEKTKEEKPEAKGVKEEVK
LA
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Component 2 |
Name: | Histone deacetylase 2 |
Synonyms: | Cereblon/Histone deacetylase 2 | HD2 | HDAC2 | HDAC2_HUMAN | Histone deacetylase 2 (HDAC2) | Human HDAC2 |
Type: | Chromatin regulator; hydrolase; repressor |
Mol. Mass.: | 55356.54 |
Organism: | Homo sapiens (Human) |
Description: | Q92769 |
Residue: | 488 |
Sequence: | MAYSQGGGKKKVCYYYDGDIGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRKMEIYRPHKA
TAEEMTKYHSDEYIKFLRSIRPDNMSEYSKQMQRFNVGEDCPVFDGLFEFCQLSTGGSVA
GAVKLNRQQTDMAVNWAGGLHHAKKSEASGFCYVNDIVLAILELLKYHQRVLYIDIDIHH
GDGVEEAFYTTDRVMTVSFHKYGEYFPGTGDLRDIGAGKGKYYAVNFPMRDGIDDESYGQ
IFKPIISKVMEMYQPSAVVLQCGADSLSGDRLGCFNLTVKGHAKCVEVVKTFNLPLLMLG
GGGYTIRNVARCWTYETAVALDCEIPNELPYNDYFEYFGPDFKLHISPSNMTNQNTPEYM
EKIKQRLFENLRMLPHAPGVQMQAIPEDAVHEDSGDEDGEDPDKRISIRASDKRIACDEE
FSDSEDEGEGGRRNVADHKKGAKKARIEEDKKETEDKKTDVKEEDKSKDNSGEKTDTKGT
KSEQLSNP
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BDBM50251243 |
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n/a |
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Name | BDBM50251243 |
Synonyms: | CHEMBL4079007 |
Type | Small organic molecule |
Emp. Form. | C20H19N3O2 |
Mol. Mass. | 333.3838 |
SMILES | ONC(=O)\C=C\c1ccc(CNCc2ccc3ccccc3n2)cc1 |
Structure |
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