Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 3' and Ligand = 'BDBM50387318'   

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))	BDBM50387318 (CHEMBL2046623) Show SMILES CC(C)N(C(=O)\C=C\c1ccccc1)c1cccc(CN2CCc3nc(sc3C2)C(=O)NO)c1 Show InChI InChI=1S/C26H28N4O3S/c1-18(2)30(24(31)12-11-19-7-4-3-5-8-19)21-10-6-9-20(15-21)16-29-14-13-22-23(17-29)34-26(27-22)25(32)28-33/h3-12,15,18,33H,13-14,16-17H2,1-2H3,(H,28,32)/b12-11+	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	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged and GST-fuses HDAC3 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...				Bioorg Med Chem Lett 22: 4540-5 (2012) Article DOI: 10.1016/j.bmcl.2012.05.123 BindingDB Entry DOI: 10.7270/Q2ZC83XG
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