Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM347459'   

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))	BDBM347459 (US9790180, ID 002) Show SMILES CC(C)C1(CCN(CC1)C(=O)N1CCN(C)CC1)Nc1ncc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C29H38N8O2S/c1-20(2)29(8-10-36(11-9-29)28(39)37-14-12-35(3)13-15-37)34-27-31-18-22(19-32-27)26(38)33-24-17-21(6-7-23(24)30)25-5-4-16-40-25/h4-7,16-20H,8-15,30H2,1-3H3,(H,33,38)(H,31,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
REGENACY PHARMACEUTICALS, LLC US Patent					Assay Description Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...				US Patent US9790180 (2017) BindingDB Entry DOI: 10.7270/Q2GF0WM8
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