Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 3' and Ligand = 'BDBM119705'   

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 3 (Homo sapiens (Human))	BDBM119705 (US8685992, 33) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2[nH]c(cc2-c2ccsc2)-c2ccc(O)cc2)cc1 Show InChI InChI=1S/C25H19F2N3O3/c26-20-11-10-18(12-21(20)27)19-13-22(16-4-2-1-3-5-16)29-23(19)25(32)28-14-15-6-8-17(9-7-15)24(31)30-33/h1-13,29,33H,14H2,(H,28,32)(H,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	732	n/a	n/a	n/a	n/a	n/a	30
Universidad del País Vasco; Ikerschem, S.L. US Patent					Assay Description The reactions were carried out in a 96-well microplate for fluorometry in a 50 μl reaction volume. After the deacetylation reaction, Fluor-de-Ly...				US Patent US8685992 (2014) BindingDB Entry DOI: 10.7270/Q2CJ8C4X
					More data for this Ligand-Target Pair