null

SMILES: FC(F)(F)C1(OCCO1)c1ccc(s1)C(=O)N1CCc2ccccc12

InChI Key: InChIKey=MVRGRHBHMYHWRI-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 25166   

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 6 (Homo sapiens (Human))	BDBM25166 (1-({5-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]thiop...) Show SMILES FC(F)(F)C1(OCCO1)c1ccc(s1)C(=O)N1CCc2ccccc12 Show InChI InChI=1S/C17H14F3NO3S/c18-17(19,20)16(23-9-10-24-16)14-6-5-13(25-14)15(22)21-8-7-11-3-1-2-4-12(11)21/h1-6H,7-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 1 (Homo sapiens (Human))	BDBM25166 (1-({5-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]thiop...) Show SMILES FC(F)(F)C1(OCCO1)c1ccc(s1)C(=O)N1CCc2ccccc12 Show InChI InChI=1S/C17H14F3NO3S/c18-17(19,20)16(23-9-10-24-16)14-6-5-13(25-14)15(22)21-8-7-11-3-1-2-4-12(11)21/h1-6H,7-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 4 (Homo sapiens (Human))	BDBM25166 (1-({5-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]thiop...) Show SMILES FC(F)(F)C1(OCCO1)c1ccc(s1)C(=O)N1CCc2ccccc12 Show InChI InChI=1S/C17H14F3NO3S/c18-17(19,20)16(23-9-10-24-16)14-6-5-13(25-14)15(22)21-8-7-11-3-1-2-4-12(11)21/h1-6H,7-10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 4 [653-1084,H976Y] (Homo sapiens (Human))	BDBM25166 (1-({5-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]thiop...) Show SMILES FC(F)(F)C1(OCCO1)c1ccc(s1)C(=O)N1CCc2ccccc12 Show InChI InChI=1S/C17H14F3NO3S/c18-17(19,20)16(23-9-10-24-16)14-6-5-13(25-14)15(22)21-8-7-11-3-1-2-4-12(11)21/h1-6H,7-10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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 3 (Homo sapiens (Human))	BDBM25166 (1-({5-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]thiop...) Show SMILES FC(F)(F)C1(OCCO1)c1ccc(s1)C(=O)N1CCc2ccccc12 Show InChI InChI=1S/C17H14F3NO3S/c18-17(19,20)16(23-9-10-24-16)14-6-5-13(25-14)15(22)21-8-7-11-3-1-2-4-12(11)21/h1-6H,7-10H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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