Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50525180'   

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))	BDBM50525180 (CHEMBL4446236) Show SMILES COc1ccc(SCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1 Show InChI InChI=1S/C21H20N2O2S/c1-25-17-10-12-18(13-11-17)26-14-15-6-8-16(9-7-15)21(24)23-20-5-3-2-4-19(20)22/h2-13H,14,22H2,1H3,(H,23,24)	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human His tagged HDAC1 expressed in baculovirus infected insect cells assessed as decrease in deacetylation of FLUOR DE LYS...				Eur J Med Chem 176: 195-207 (2019) Article DOI: 10.1016/j.ejmech.2019.05.007 BindingDB Entry DOI: 10.7270/Q2NG4V23
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