Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase (HDAC1 and HDAC2)' and Ligand = 'BDBM50498509'   

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))	BDBM50498509 (CHEMBL3605907) Show SMILES Cc1ccc(\C=C\C(=O)Nc2ccc3C(=O)N(Cc4ccc(cc4)C(=O)NO)S(=O)(=O)c3c2)cc1 Show InChI InChI=1S/C25H21N3O6S/c1-16-2-4-17(5-3-16)8-13-23(29)26-20-11-12-21-22(14-20)35(33,34)28(25(21)31)15-18-6-9-19(10-7-18)24(30)27-32/h2-14,32H,15H2,1H3,(H,26,29)(H,27,30)/b13-8+	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+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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