Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50161828'   

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 (Homo sapiens (Human))	BDBM50161828 (CHEMBL3793310) Show SMILES Cc1[nH]c2ccccc2c1\C=C\c1ccccc1-c1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C26H22N2O2/c1-18-22(24-8-4-5-9-25(24)27-18)16-15-20-6-2-3-7-23(20)21-13-10-19(11-14-21)12-17-26(29)28-30/h2-17,27,30H,1H3,(H,28,29)/b16-15+,17-12+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa nuclear extract using BOC-Ac-Lys-AMC as substrate incubated for 90 mins by fluorescence assay				Eur J Med Chem 112: 99-105 (2016) Article DOI: 10.1016/j.ejmech.2016.02.001 BindingDB Entry DOI: 10.7270/Q2HM5BB0
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50161828 (CHEMBL3793310) Show SMILES Cc1[nH]c2ccccc2c1\C=C\c1ccccc1-c1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C26H22N2O2/c1-18-22(24-8-4-5-9-25(24)27-18)16-15-20-6-2-3-7-23(20)21-13-10-19(11-14-21)12-17-26(29)28-30/h2-17,27,30H,1H3,(H,28,29)/b16-15+,17-12+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cells using BOC-Ac-Lys-AMC as substrate incubated for 4 hrs by fluorescence assay				Eur J Med Chem 112: 99-105 (2016) Article DOI: 10.1016/j.ejmech.2016.02.001 BindingDB Entry DOI: 10.7270/Q2HM5BB0
					More data for this Ligand-Target Pair