Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50491824'   

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))	BDBM50491824 (CHEMBL2386906) Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OCc3cn(CCCCC(=O)NO)nn3)cc12 |r| Show InChI InChI=1S/C30H32N6O7/c1-3-19-20-11-18(42-15-17-13-35(34-32-17)10-6-5-7-26(37)33-41)8-9-24(20)31-27-21(19)14-36-25(27)12-23-22(28(36)38)16-43-29(39)30(23,40)4-2/h8-9,11-13,40-41H,3-7,10,14-16H2,1-2H3,(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	155	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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