Reaction Details |
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Target | Histone deacetylase 3 |
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Ligand | BDBM50387326 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_828094 (CHEMBL2049833) |
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IC50 | 26390±n/a nM |
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Citation | Fang, G; Xue, M; Su, M; Hu, D; Li, Y; Xiong, B; Ma, L; Meng, T; Chen, Y; Li, J; Li, J; Shen, J CCLab--a multi-objective genetic algorithm based combinatorial library design software and an application for histone deacetylase inhibitor design. Bioorg Med Chem Lett22:4540-5 (2012) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Histone deacetylase 3 |
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Name: | Histone deacetylase 3 |
Synonyms: | HD3 | HDAC3 | HDAC3_HUMAN | Histone deacetylase 3 (HDAC3) | Human HDAC3 | RPD3-2 | SMAP45 |
Type: | Enzyme |
Mol. Mass.: | 48829.55 |
Organism: | Homo sapiens (Human) |
Description: | O15379 |
Residue: | 428 |
Sequence: | MAKTVAYFYDPDVGNFHYGAGHPMKPHRLALTHSLVLHYGLYKKMIVFKPYQASQHDMCR
FHSEDYIDFLQRVSPTNMQGFTKSLNAFNVGDDCPVFPGLFEFCSRYTGASLQGATQLNN
KICDIAINWAGGLHHAKKFEASGFCYVNDIVIGILELLKYHPRVLYIDIDIHHGDGVQEA
FYLTDRVMTVSFHKYGNYFFPGTGDMYEVGAESGRYYCLNVPLRDGIDDQSYKHLFQPVI
NQVVDFYQPTCIVLQCGADSLGCDRLGCFNLSIRGHGECVEYVKSFNIPLLVLGGGGYTV
RNVARCWTYETSLLVEEAISEELPYSEYFEYFAPDFTLHPDVSTRIENQNSRQYLDQIRQ
TIFENLKMLNHAPSVQIHDVPADLLTYDRTDEADAEERGPEENYSRPEAPNEFYDGDHDN
DKESDVEI
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BDBM50387326 |
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n/a |
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Name | BDBM50387326 |
Synonyms: | CHEMBL2046616 |
Type | Small organic molecule |
Emp. Form. | C20H24N4O3S |
Mol. Mass. | 400.495 |
SMILES | ONC(=O)c1nc2CCN(CCCCNC(=O)\C=C\c3ccccc3)Cc2s1 |
Structure |
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