Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50522926'   

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))	BDBM50522926 (CHEMBL4474608) Show SMILES ONC(=O)CCc1csc(CCc2ccc(O)c(O)c2)n1 Show InChI InChI=1S/C14H16N2O4S/c17-11-4-1-9(7-12(11)18)2-6-14-15-10(8-21-14)3-5-13(19)16-20/h1,4,7-8,17-18,20H,2-3,5-6H2,(H,16,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
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