| Reaction Details |
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 | Report a problem with these data |
| Target | Histone deacetylase |
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| Ligand | BDBM50166168 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_532345 (CHEMBL973268) |
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| IC50 | 4500±n/a nM |
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| Citation |  Ragno, R; Simeoni, S; Rotili, D; Caroli, A; Botta, G; Brosch, G; Massa, S; Mai, A Class II-selective histone deacetylase inhibitors. Part 2: alignment-independent GRIND 3-D QSAR, homology and docking studies. Eur J Med Chem43:621-32 (2008) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Histone deacetylase |
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| Name: | Histone deacetylase |
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| Synonyms: | Histone deacetylase HD1B |
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| Type: | PROTEIN |
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| Mol. Mass.: | 50930.01 |
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| Organism: | Zea mays |
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| Description: | ChEMBL_422128 |
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| Residue: | 458 |
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| Sequence: | MAASGEGVSLPSPAGGEDAHRRRVSYFYEPSIGDYYYGQGHPMKPHRIRMAHSLVVHYGL
HRLLELSRPYPASEADIRRFHSDDYVAFLASATGNPGVLDPRAIKRFNVGEDCPVFDGLF
PFCQASAGGSIGAAVKLNRGDADITVNWAGGLHHAKKSEASGFCYVNDIVLAILELLKFH
RRVLYVDIDVHHGDGVEEAFFTTNRVMTVSFHKYGDFFPGTGHITDVGAAEGKHYALNVP
LSDGIDDTTFRGLFQCIIKKVMEVYQPDVVVLQCGADSLAGDRLGCFNLSVKGHADCLRF
LRSYNVPMMVLGGGGYTIRNVARCWCYETAVAVGVEPDNKLPYNDYYEYFGPDYTLHIQP
KSVENLNTTKDLENIKNMILENLSKIEHVPSTQFHDRPSDPEAPEEKEEDMDKRPPQRSR
LWSGGAYDSDTEDPDSLKSEGKDVTANFQMKDEPKDDL
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| BDBM50166168 |
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| n/a |
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| Name | BDBM50166168 |
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| Synonyms: | (E)-3-[4-(2-Benzoyl-but-1-enyl)-1-methyl-1H-pyrrol-2-yl]-N-hydroxy-acrylamide | 3-(4-(2-benzoylbut-1-enyl)-1-methyl-1H-pyrrol-2-yl)-N-hydroxyacrylamide | CHEMBL191852 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H20N2O3 |
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| Mol. Mass. | 324.3737 |
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| SMILES | CC\C(=C/c1cc(\C=C\C(=O)NO)n(C)c1)C(=O)c1ccccc1 |
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| Structure | 
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