Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 2' and Ligand = 'BDBM347496'   

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))	BDBM347496 (US9790180, ID 029) Show SMILES CC1(CCN(CC1)C(=O)N1CCOCC1)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccncc1 Show InChI InChI=1S/C29H34N6O3/c1-29(10-14-34(15-11-29)28(37)35-16-18-38-19-17-35)33-24-5-2-22(3-6-24)27(36)32-26-20-23(4-7-25(26)30)21-8-12-31-13-9-21/h2-9,12-13,20,33H,10-11,14-19,30H2,1H3,(H,32,36)	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	17	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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