Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 2' and Ligand = 'BDBM347479'   

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 2 (Homo sapiens (Human))	BDBM347479 (US9790180, ID 013) Show SMILES CC1(CCN(CC1)C(=O)N1CCCC1)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C28H33N5O2S/c1-28(12-16-33(17-13-28)27(35)32-14-2-3-15-32)31-22-9-6-20(7-10-22)26(34)30-24-19-21(8-11-23(24)29)25-5-4-18-36-25/h4-11,18-19,31H,2-3,12-17,29H2,1H3,(H,30,34)	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	14	n/a	n/a	n/a	n/a	n/a	n/a
REGENACY PHARMACEUTICALS, LLC US Patent									US Patent US9790180 (2017) BindingDB Entry DOI: 10.7270/Q2GF0WM8
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