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SMILES: CCOC(=O)c1ccc(o1)C(=O)C(F)(F)F
InChI Key: InChIKey=NCAOGPVUVXZUCU-UHFFFAOYSA-N
| Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 (Homo sapiens (Human)) | BDBM25154 (ethyl 5-(2,2,2-trifluoroacetyl)furan-2-carboxylate...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet  | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | n/a | n/a | n/a | 8.0 | 37 |
IRBM/Merck | Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... | Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Histone deacetylase 3 (Homo sapiens (Human)) | BDBM25154 (ethyl 5-(2,2,2-trifluoroacetyl)furan-2-carboxylate...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
IRBM/Merck | Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... | Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Histone deacetylase 6 (Homo sapiens (Human)) | BDBM25154 (ethyl 5-(2,2,2-trifluoroacetyl)furan-2-carboxylate...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | 25 |
IRBM/Merck | Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... | Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Histone deacetylase 4 (Homo sapiens (Human)) | BDBM25154 (ethyl 5-(2,2,2-trifluoroacetyl)furan-2-carboxylate...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | 25 |
IRBM/Merck | Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... | Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Histone deacetylase 4 [653-1084,H976Y] (Homo sapiens (Human)) | BDBM25154 (ethyl 5-(2,2,2-trifluoroacetyl)furan-2-carboxylate...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | 25 |
IRBM/Merck | Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... | Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
