Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 3' and Ligand = 'BDBM242902'   

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))	BDBM242902 (US9428447, JFD-50) Show SMILES CCC(CC)(c1ccc(CCC(=O)NO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 |r| Show InChI InChI=1S/C28H41NO4/c1-8-28(9-2,22-12-10-21(19(3)16-22)11-15-26(31)29-32)23-13-14-24(20(4)17-23)33-18-25(30)27(5,6)7/h10,12-14,16-17,25,30,32H,8-9,11,15,18H2,1-7H3,(H,29,31)/t25-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.51E+4	n/a	n/a	n/a	n/a	8.1	37
The Royal Institution for the Advancement of Learning/McGill University US Patent					Assay Description Boc-Lys(Ac)-7-amino-4-methylcoumarin (Boc-Lys(Ac)-AMC) was used as substrate for the HDAC assays. Substrate solution was prepared as follow: Boc(Lys-...				US Patent US9428447 (2016) BindingDB Entry DOI: 10.7270/Q2TX3D9H
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