Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 3' and Ligand = 'BDBM50233043'   

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))	BDBM50233043 (CHEMBL4084736) Show SMILES ONC(=O)CCCCN1c2ccccc2C(=N[C@H](CS)C1=O)c1ccccc1 |r,c:16| Show InChI InChI=1S/C21H23N3O3S/c25-19(23-27)12-6-7-13-24-18-11-5-4-10-16(18)20(15-8-2-1-3-9-15)22-17(14-28)21(24)26/h1-5,8-11,17,27-28H,6-7,12-14H2,(H,23,25)/t17-/m1/s1	PDB 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	180	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human KDAC3 using FITC-labeled p53 acetylated peptide as substrate after 60 mins by fluorescence assay				Eur J Med Chem 127: 531-553 (2017) Article DOI: 10.1016/j.ejmech.2016.12.032 BindingDB Entry DOI: 10.7270/Q2PZ5C38
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