Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM97708'   

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))	BDBM97708 (US8476255, 96) Show SMILES CSc1ccc(\C=C(\C(=O)NCCCCCC(=O)NO)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C23H28N2O3S/c1-17-7-11-19(12-8-17)21(16-18-9-13-20(29-2)14-10-18)23(27)24-15-5-3-4-6-22(26)25-28/h7-14,16,28H,3-6,15H2,1-2H3,(H,24,27)(H,25,26)/b21-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	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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