Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50387314'   

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 1 (Homo sapiens (Human))	BDBM50387314 (CHEMBL2046619) Show SMILES CC(N1CCc2nc(sc2C1)C(=O)NO)c1ccc(NC(=O)CCC=C)nc1 Show InChI InChI=1S/C19H23N5O3S/c1-3-4-5-17(25)22-16-7-6-13(10-20-16)12(2)24-9-8-14-15(11-24)28-19(21-14)18(26)23-27/h3,6-7,10,12,27H,1,4-5,8-9,11H2,2H3,(H,23,26)(H,20,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged and GST-fuses HDAC1 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...				Bioorg Med Chem Lett 22: 4540-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.123 BindingDB Entry DOI: 10.7270/Q2ZC83XG
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