Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase (HDAC1 and HDAC2)' and Ligand = 'BDBM50251260'   

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 (HDAC1 and HDAC2) (Homo sapiens (Human))	BDBM50251260 (CHEMBL4100551) Show SMILES ONC(=O)\C=C\c1ccc(CC(=O)N(Cc2ccc3ccccc3n2)c2ccccc2)cc1 Show InChI InChI=1S/C27H23N3O3/c31-26(29-33)17-14-20-10-12-21(13-11-20)18-27(32)30(24-7-2-1-3-8-24)19-23-16-15-22-6-4-5-9-25(22)28-23/h1-17,33H,18-19H2,(H,29,31)/b17-14+	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P Curated by ChEMBL					Assay Description Inhibition of HDAC1/2 in human HeLa cell nuclear extract using COLOR DE LYS as substrate pretreated for 5 mins followed by substrate addition measure...				Eur J Med Chem 133: 11-23 (2017) Article DOI: 10.1016/j.ejmech.2017.03.064 BindingDB Entry DOI: 10.7270/Q2PV6NTB
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