Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 4' and Ligand = 'BDBM50087841'   

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 4 (Homo sapiens (Human))	BDBM50087841 (CHEMBL3426804) Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1 Show InChI InChI=1S/C23H21N3O3/c27-22(26-29)14-13-19-11-12-20(16-24-19)25-23(28)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,16,21,29H,15H2,(H,25,28)(H,26,27)/b14-13+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Ortopedico Rizzoli (IOR) Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC4 (unknown origin) by homogeneous fluorescence release assay				J Med Chem 58: 4073-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00126 BindingDB Entry DOI: 10.7270/Q23X88DK
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