Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50491817'   

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 (Homo sapiens (Human))	BDBM50491817 (CHEMBL2386912) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(OCc5cn(CCCCCCC(=O)NO)nn5)cc4cc3Cn1c2=O |r| Show InChI InChI=1S/C30H32N6O7/c1-2-30(40)23-13-25-27-19(14-36(25)28(38)22(23)17-43-29(30)39)11-18-12-21(8-9-24(18)31-27)42-16-20-15-35(34-32-20)10-6-4-3-5-7-26(37)33-41/h8-9,11-13,15,40-41H,2-7,10,14,16-17H2,1H3,(H,33,37)/t30-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cells using Fluor-de-Lys as substrate after 15 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3283-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.108 BindingDB Entry DOI: 10.7270/Q2B56NN3
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