Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 5' and Ligand = 'BDBM49152'   

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 5 (Homo sapiens (Human))	BDBM49152 (5-chloranyl-7-[(4-ethylpiperazin-1-yl)-pyridin-3-y...) Show SMILES CCN1CCN(CC1)C(c1cccnc1)c1cc(Cl)c2cccnc2c1O Show InChI InChI=1S/C21H23ClN4O/c1-2-25-9-11-26(12-10-25)20(15-5-3-7-23-14-15)17-13-18(22)16-6-4-8-24-19(16)21(17)27/h3-8,13-14,20,27H,2,9-12H2,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	7.4	n/a
Broad Institute					Assay Description Briefly, this fluorogenic assays uses an acetylated lysine tripeptide substrate, amide-linked to a fluorescently quenched aminocoumarin (AMC). Enzyme...				ACS Chem Biol 11: 1844-51 (2016) Article DOI: 10.1021/acschembio.6b00012 BindingDB Entry DOI: 10.7270/Q2QF8RPQ
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