Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50232357'   

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))	BDBM50232357 (CHEMBL4077893) Show SMILES CN(C)Cc1cn(c2ccccc12)S(=O)(=O)c1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C20H21N3O4S/c1-22(2)13-16-14-23(19-6-4-3-5-18(16)19)28(26,27)17-10-7-15(8-11-17)9-12-20(24)21-25/h3-12,14,25H,13H2,1-2H3,(H,21,24)/b12-9+	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	1.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of full length human recombinant C-terminal FLAG-His-tagged HDAC1 expressed in Sf21 cells using RHKK(Ac) as substrate after 60 mins by flu...				Eur J Med Chem 127: 115-127 (2017) Article DOI: 10.1016/j.ejmech.2016.12.039 BindingDB Entry DOI: 10.7270/Q20K2BT4
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