BDBM25151 9,9,9-trifluoro-8-oxo-N-(3-phenylphenyl)nonanamide::CHEMBL115011::trifluoromethyl ketone, 11
SMILES: FC(F)(F)C(=O)CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1
InChI Key: InChIKey=MURSHQSEWWUKLX-UHFFFAOYSA-N
Data: 6 IC50
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 |
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Histone deacetylase 1 (Homo sapiens (Human)) | BDBM25151 (9,9,9-trifluoro-8-oxo-N-(3-phenylphenyl)nonanamide...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.40E+3 | 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: 1814-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 3 (Homo sapiens (Human)) | BDBM25151 (9,9,9-trifluoro-8-oxo-N-(3-phenylphenyl)nonanamide...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 120 | 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: 1814-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 1/2 (Homo sapiens (Human)) | BDBM25151 (9,9,9-trifluoro-8-oxo-N-(3-phenylphenyl)nonanamide...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibition of human histone deacetylase (mixture of HDAC1 and HDAC2) prepared from K562 erythroleukemia cells. | Bioorg Med Chem Lett 12: 3443-7 (2002) BindingDB Entry DOI: 10.7270/Q26D5W6Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 4 (Homo sapiens (Human)) | BDBM25151 (9,9,9-trifluoro-8-oxo-N-(3-phenylphenyl)nonanamide...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 33 | 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: 1814-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 6 (Homo sapiens (Human)) | BDBM25151 (9,9,9-trifluoro-8-oxo-N-(3-phenylphenyl)nonanamide...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.70E+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: 1814-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 4 [653-1084,H976Y] (Homo sapiens (Human)) | BDBM25151 (9,9,9-trifluoro-8-oxo-N-(3-phenylphenyl)nonanamide...) | PDB MMDB KEGG B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 200 | n/a | n/a | n/a | n/a | 7.5 | 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: 1814-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK | |||||||||||
More data for this Ligand-Target Pair |