Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 3' and Ligand = 'BDBM50526249'   

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 3 (Homo sapiens (Human))	BDBM50526249 (CHEMBL4561439) Show SMILES ONC(=O)c1ccc(cc1)N(Cc1ccc(cc1)C(F)(F)F)C(=O)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C31H24F7N3O5S/c32-24-11-15-26(16-12-24)47(45,46)40(18-22-3-1-2-4-27(22)31(36,37)38)19-28(42)41(25-13-7-21(8-14-25)29(43)39-44)17-20-5-9-23(10-6-20)30(33,34)35/h1-16,44H,17-19H2,(H,39,43)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC3 expressed in SF9 baculoviral system using FAM-labeled acetylated peptide as substrate by EMSA				J Med Chem 62: 2651-2665 (2019) Article DOI: 10.1021/acs.jmedchem.8b01957 BindingDB Entry DOI: 10.7270/Q2SQ93VV
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