Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase (HDAC1 and HDAC2)' and Ligand = 'BDBM50498517'   

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))	BDBM50498517 (CHEMBL3605889) Show SMILES ONC(=O)c1ccc(NC(=O)CCCN2C(=O)c3ccc(cc3S2(=O)=O)[N+]([O-])=O)cc1 Show InChI InChI=1S/C18H16N4O8S/c23-16(19-12-5-3-11(4-6-12)17(24)20-26)2-1-9-21-18(25)14-8-7-13(22(27)28)10-15(14)31(21,29)30/h3-8,10,26H,1-2,9H2,(H,19,23)(H,20,24)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.66E+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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