Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 3' and Ligand = 'BDBM50526159'   

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))	BDBM50526159 (CHEMBL4551095) Show SMILES CCOC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)Nc2ccccc2N)n1 Show InChI InChI=1S/C25H29N5O4S/c1-2-34-25(33)27-18-10-8-9-17(15-18)21-16-35-24(29-21)30-23(32)14-5-3-4-13-22(31)28-20-12-7-6-11-19(20)26/h6-12,15-16H,2-5,13-14,26H2,1H3,(H,27,33)(H,28,31)(H,29,30,32)	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	60	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay				Eur J Med Chem 166: 369-380 (2019) Article DOI: 10.1016/j.ejmech.2019.01.077 BindingDB Entry DOI: 10.7270/Q2K93BZT
					More data for this Ligand-Target Pair