null

SMILES: FC(F)(F)C(=O)c1ccc(s1)C(=O)NCC1CCCCC1

InChI Key: InChIKey=VLHNZHDVXTZZKS-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 25161   

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))	BDBM25161 (N-(cyclohexylmethyl)-5-(2,2,2-trifluoroacetyl)thio...) Show SMILES FC(F)(F)C(=O)c1ccc(s1)C(=O)NCC1CCCCC1 Show InChI InChI=1S/C14H16F3NO2S/c15-14(16,17)12(19)10-6-7-11(21-10)13(20)18-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,18,20)	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	2.90E+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: 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))	BDBM25161 (N-(cyclohexylmethyl)-5-(2,2,2-trifluoroacetyl)thio...) Show SMILES FC(F)(F)C(=O)c1ccc(s1)C(=O)NCC1CCCCC1 Show InChI InChI=1S/C14H16F3NO2S/c15-14(16,17)12(19)10-6-7-11(21-10)13(20)18-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,18,20)	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	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
Histone deacetylase 6 (Homo sapiens (Human))	BDBM25161 (N-(cyclohexylmethyl)-5-(2,2,2-trifluoroacetyl)thio...) Show SMILES FC(F)(F)C(=O)c1ccc(s1)C(=O)NCC1CCCCC1 Show InChI InChI=1S/C14H16F3NO2S/c15-14(16,17)12(19)10-6-7-11(21-10)13(20)18-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,18,20)	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	460	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))	BDBM25161 (N-(cyclohexylmethyl)-5-(2,2,2-trifluoroacetyl)thio...) Show SMILES FC(F)(F)C(=O)c1ccc(s1)C(=O)NCC1CCCCC1 Show InChI InChI=1S/C14H16F3NO2S/c15-14(16,17)12(19)10-6-7-11(21-10)13(20)18-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	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))	BDBM25161 (N-(cyclohexylmethyl)-5-(2,2,2-trifluoroacetyl)thio...) Show SMILES FC(F)(F)C(=O)c1ccc(s1)C(=O)NCC1CCCCC1 Show InChI InChI=1S/C14H16F3NO2S/c15-14(16,17)12(19)10-6-7-11(21-10)13(20)18-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	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