Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM97682'   

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 (Mus musculus (Mouse))	BDBM97682 (US8476255, 22) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)C(=C\c2ccnc3ccccc23)\c2ccc(F)cc2)cc1 Show InChI InChI=1S/C32H25FN4O2/c33-25-15-13-22(14-16-25)27(19-24-17-18-35-29-7-3-1-5-26(24)29)32(39)36-20-21-9-11-23(12-10-21)31(38)37-30-8-4-2-6-28(30)34/h1-19H,20,34H2,(H,36,39)(H,37,38)/b27-19+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
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