Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase (HDAC1 and HDAC2)' and Ligand = 'BDBM50498503'   

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))	BDBM50498503 (CHEMBL3605894) Show SMILES ONC(=O)c1ccc(CNC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1 Show InChI InChI=1S/C18H17N3O6S/c22-16(19-11-12-5-7-13(8-6-12)17(23)20-25)9-10-21-18(24)14-3-1-2-4-15(14)28(21,26)27/h1-8,25H,9-11H2,(H,19,22)(H,20,23)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.79E+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 cells nuclear extracts using acetylated histone peptide as substrate after 30 mins by Color de Lys assay				Bioorg Med Chem 23: 5774-81 (2015) Article DOI: 10.1016/j.bmc.2015.07.008 BindingDB Entry DOI: 10.7270/Q2CZ3B56
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