Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM162847'   

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 1 (Homo sapiens (Human))	BDBM162847 (US9056843, 138) Show SMILES C[C@H](CN(C)C(C)C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C17H21F3N4O2/c1-10(2)24(4)9-11(3)21-15(25)13-7-5-12(6-8-13)14-22-16(26-23-14)17(18,19)20/h5-8,10-11H,9H2,1-4H3,(H,21,25)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	8.0	25
NOVARTIS AG US Patent					Assay Description A similar assay procedure as described in Test 2 was used for HDAC1. Human recombinant full length HDAC1 expressed in a baculovirus expression system...				US Patent US9056843 (2015) BindingDB Entry DOI: 10.7270/Q24F1PG8
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