Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 3' and Ligand = 'BDBM50361444'   

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))	BDBM50361444 (CHEMBL1938433) Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(Cc4ccccc4)CC3)CC(=O)c2c1 |w:5.5| Show InChI InChI=1S/C23H24N2O4/c26-20-15-23(10-12-25(13-11-23)16-18-4-2-1-3-5-18)29-21-8-6-17(14-19(20)21)7-9-22(27)24-28/h1-9,14,28H,10-13,15-16H2,(H,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
DAC SRL Curated by ChEMBL					Assay Description Inhibition of HDAC3 using carboxyfluorescein-labeled peptide as substrate after 17 hrs by fluorescence assay				J Med Chem 54: 3051-64 (2011) Article DOI: 10.1021/jm200146u BindingDB Entry DOI: 10.7270/Q21V5FD6
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50361444 (CHEMBL1938433) Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(Cc4ccccc4)CC3)CC(=O)c2c1 |w:5.5| Show InChI InChI=1S/C23H24N2O4/c26-20-15-23(10-12-25(13-11-23)16-18-4-2-1-3-5-18)29-21-8-6-17(14-19(20)21)7-9-22(27)24-28/h1-9,14,28H,10-13,15-16H2,(H,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin)				Eur J Med Chem 64: 273-84 (2013) Article DOI: 10.1016/j.ejmech.2013.03.061 BindingDB Entry DOI: 10.7270/Q2TT4SBV
					More data for this Ligand-Target Pair