Reaction Details |
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Target | Histone deacetylase 8 |
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Ligand | BDBM50164531 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1575026 (CHEMBL3803623) |
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IC50 | 92±n/a nM |
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Citation | Heimburg, T; Chakrabarti, A; Lancelot, J; Marek, M; Melesina, J; Hauser, AT; Shaik, TB; Duclaud, S; Robaa, D; Erdmann, F; Schmidt, M; Romier, C; Pierce, RJ; Jung, M; Sippl, W Structure-Based Design and Synthesis of Novel Inhibitors Targeting HDAC8 from Schistosoma mansoni for the Treatment of Schistosomiasis. J Med Chem59:2423-35 (2016) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Histone deacetylase 8 |
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Name: | Histone deacetylase 8 |
Synonyms: | HDAC8 | Histone deacetylase 8 |
Type: | PROTEIN |
Mol. Mass.: | 49771.73 |
Organism: | Schistosoma mansoni |
Description: | ChEMBL_116785 |
Residue: | 440 |
Sequence: | MSVGIVYGDQYRQLCCSSPKFGDRYALVMDLINAYKLIPELSRVPPLQWDSPSRMYEAVT
AFHSTEYVDALKKLQMLHCEEKELTADDELLMDSFSLNYDCPGFPSVFDYSLAAVQGSLA
AASALICRHCEVVINWGGGWHHAKRSEASGFCYLNDIVLAIHRLVSSTPPETSPNRQTRV
LYVDLDLHHGDGVEEAFWYSPRVVTFSVHHASPGFFPGTGTWNMVDNDKLPIFLNGAGRG
RFSAFNLPLEEGINDLDWSNAIGPILDSLNIVIQPSYVVVQCGADCLATDPHRIFRLTNF
YPNLNLDSDCDSECSLSGYLYAIKKILSWKVPTLILGGGGYNFPDTARLWTRVTALTIEE
VKGKKMTISPEIPEHSYFSRYGPDFELDIDYFPHESHNKTLDSIQKHHRRILEQLRNYAD
LNKLIYDYDQVYQLYNLTGM
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BDBM50164531 |
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n/a |
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Name | BDBM50164531 |
Synonyms: | CHEMBL3799246 |
Type | Small organic molecule |
Emp. Form. | C22H20N2O4 |
Mol. Mass. | 376.4052 |
SMILES | CCOc1ccc(cc1NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |
Structure |
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