Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM25164'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 1 (Homo sapiens (Human))	BDBM25164 (2,2,2-trifluoro-1-[5-({3-phenyl-5H,6H,7H,8H-imidaz...) Show SMILES FC(F)(F)C(=O)c1ccc(s1)C(=O)N1CCn2c(C1)ncc2-c1ccccc1 Show InChI InChI=1S/C19H14F3N3O2S/c20-19(21,22)17(26)14-6-7-15(28-14)18(27)24-8-9-25-13(10-23-16(25)11-24)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of HDAC1 purified from HEK293 cells by western blot				Bioorg Med Chem Lett 18: 6078-82 (2008) Article DOI: 10.1016/j.bmcl.2008.10.041 BindingDB Entry DOI: 10.7270/Q2V987XH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM25164 (2,2,2-trifluoro-1-[5-({3-phenyl-5H,6H,7H,8H-imidaz...) Show SMILES FC(F)(F)C(=O)c1ccc(s1)C(=O)N1CCn2c(C1)ncc2-c1ccccc1 Show InChI InChI=1S/C19H14F3N3O2S/c20-19(21,22)17(26)14-6-7-15(28-14)18(27)24-8-9-25-13(10-23-16(25)11-24)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.50E+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