Reaction Details |
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Target | Histone deacetylase (HDAC1 and HDAC2) |
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Ligand | BDBM50196509 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1618726 (CHEMBL3860895) |
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IC50 | 591±n/a nM |
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Citation | Jiao, P; Jin, P; Li, C; Cui, L; Dong, L; Pan, B; Song, W; Ma, L; Dong, J; Song, L; Jin, X; Li, F; Wan, M; Lv, Z; Geng, Q Design, synthesis and in vitro evaluation of amidoximes as histone deacetylase inhibitors for cancer therapy. Bioorg Med Chem Lett26:4679-4683 (2016) [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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BDBM50196509 |
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n/a |
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Name | BDBM50196509 |
Synonyms: | CHEMBL3924154 |
Type | Small organic molecule |
Emp. Form. | C12H18N4O2 |
Mol. Mass. | 250.2969 |
SMILES | CCCCNC(=O)Nc1ccc(cc1)C(\N)=N\O |
Structure |
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