Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 9' and Ligand = 'BDBM50087845'   

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 9 (Homo sapiens (Human))	BDBM50087845 (CHEMBL3426803) Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C21H21N3O3S/c25-19(24-27)8-4-5-13-28-21-22-18(14-20(26)23-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,27H,4-5,8,13H2,(H,24,25)(H,22,23,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+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 HDAC9 (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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