Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 4' and Ligand = 'BDBM50105329'   

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))	BDBM50105329 (CHEMBL1213492) Show SMILES CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1 Show InChI InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human HDAC4				Bioorg Med Chem 23: 5151-5 (2015) Article DOI: 10.1016/j.bmc.2014.12.066 BindingDB Entry DOI: 10.7270/Q2B859V9
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Histone deacetylase 4 (Homo sapiens (Human))	BDBM50105329 (CHEMBL1213492) Show SMILES CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1 Show InChI InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human HDAC4 expressed in baculovirus infected sf9 cells using Boc-L-Lys-MCA as substrate preincubated for 15 mins followed by substrate...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00830 BindingDB Entry DOI: 10.7270/Q2F76H9K
					More data for this Ligand-Target Pair