Reaction Details |
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Target | Histone deacetylase |
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Ligand | BDBM50242717 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_532345 (CHEMBL973268) |
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IC50 | 807±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 |
Synonyms: | Histone deacetylase HD1B |
Type: | PROTEIN |
Mol. Mass.: | 50930.01 |
Organism: | Zea mays |
Description: | ChEMBL_422128 |
Residue: | 458 |
Sequence: | MAASGEGVSLPSPAGGEDAHRRRVSYFYEPSIGDYYYGQGHPMKPHRIRMAHSLVVHYGL
HRLLELSRPYPASEADIRRFHSDDYVAFLASATGNPGVLDPRAIKRFNVGEDCPVFDGLF
PFCQASAGGSIGAAVKLNRGDADITVNWAGGLHHAKKSEASGFCYVNDIVLAILELLKFH
RRVLYVDIDVHHGDGVEEAFFTTNRVMTVSFHKYGDFFPGTGHITDVGAAEGKHYALNVP
LSDGIDDTTFRGLFQCIIKKVMEVYQPDVVVLQCGADSLAGDRLGCFNLSVKGHADCLRF
LRSYNVPMMVLGGGGYTIRNVARCWCYETAVAVGVEPDNKLPYNDYYEYFGPDYTLHIQP
KSVENLNTTKDLENIKNMILENLSKIEHVPSTQFHDRPSDPEAPEEKEEDMDKRPPQRSR
LWSGGAYDSDTEDPDSLKSEGKDVTANFQMKDEPKDDL
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BDBM50242717 |
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n/a |
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Name | BDBM50242717 |
Synonyms: | (E)-3-(4-((E)-3-(2,6-difluorophenyl)-3-oxoprop-1-enyl)-1-methyl-1H-pyrrol-2-yl)-N-hydroxyacrylamide | CHEMBL461492 |
Type | Small organic molecule |
Emp. Form. | C17H14F2N2O3 |
Mol. Mass. | 332.3015 |
SMILES | Cn1cc(\C=C\C(=O)c2c(F)cccc2F)cc1\C=C\C(=O)NO |
Structure |
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