Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50151277'   

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))	BDBM50151277 (CHEMBL3770287) Show SMILES FC(F)(F)C(=O)CCCCNC(=O)c1nc(sc1C1CC1)-c1nccs1 Show InChI InChI=1S/C16H16F3N3O2S2/c17-16(18,19)10(23)3-1-2-6-20-13(24)11-12(9-4-5-9)26-15(22-11)14-21-7-8-25-14/h7-9H,1-6H2,(H,20,24)	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	26	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of full length His6-tagged GST-fused recombinant human HDAC1 expressed in High5 insect cells using Ac-Lys-Tyr-Lys (e-acetyl)-AMC as substr...				Eur J Med Chem 112: 81-90 (2016) Article DOI: 10.1016/j.ejmech.2016.02.003 BindingDB Entry DOI: 10.7270/Q2ZS2ZDZ
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