Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase (HDAC1 and HDAC2)' and Ligand = 'BDBM50498420'   

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))	BDBM50498420 (CHEMBL3594214) Show SMILES ONC(=O)CCCCCCC(=O)NCc1cc(C(=O)Nc2ccccc2)c2cc(Br)ccc2n1 Show InChI InChI=1S/C25H27BrN4O4/c26-17-12-13-22-20(14-17)21(25(33)29-18-8-4-3-5-9-18)15-19(28-22)16-27-23(31)10-6-1-2-7-11-24(32)30-34/h3-5,8-9,12-15,34H,1-2,6-7,10-11,16H2,(H,27,31)(H,29,33)(H,30,32)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC1/2 in human HeLa cell nuclear extracts preincubated for 5 mins followed by substrate addition measured after 0.5 hrs by Color de L...				Bioorg Med Chem 23: 4364-4374 (2015) Article DOI: 10.1016/j.bmc.2015.06.024 BindingDB Entry DOI: 10.7270/Q2JQ1419
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