Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 3' and Ligand = 'BDBM50446474'   

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))	BDBM50446474 (CHEMBL3109980 | US9765054, Compound 25e) Show SMILES ONC(=O)[C@@H]1[C@@H]([C@H]1c1cc(Cl)c2OCCOc2c1)c1ccccc1 |r| Show InChI InChI=1S/C18H16ClNO4/c19-12-8-11(9-13-17(12)24-7-6-23-13)15-14(16(15)18(21)20-22)10-4-2-1-3-5-10/h1-5,8-9,14-16,22H,6-7H2,(H,20,21)/t14-,15-,16-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioFocus Curated by ChEMBL					Assay Description Inhibition of human recombinant full length HDAC3-NCoR2 using Lys_Ac_AMC as substrate after 60 mins by fluorescence assay				J Med Chem 56: 9934-54 (2013) Article DOI: 10.1021/jm4011884 BindingDB Entry DOI: 10.7270/Q2DZ09RK
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