Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 2' and Ligand = 'BDBM347485'   

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))	BDBM347485 (US9790180, ID 019 | US9790180, ID 020) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(NC2CCN(CC2)C(=O)N2CCOCC2)cc1)-c1cccs1 Show InChI InChI=1S/C27H31N5O3S/c28-23-8-5-20(25-2-1-17-36-25)18-24(23)30-26(33)19-3-6-21(7-4-19)29-22-9-11-31(12-10-22)27(34)32-13-15-35-16-14-32/h1-8,17-18,22,29H,9-16,28H2,(H,30,33)	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	4.20	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
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM347485 (US9790180, ID 019 | US9790180, ID 020) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(NC2CCN(CC2)C(=O)N2CCOCC2)cc1)-c1cccs1 Show InChI InChI=1S/C27H31N5O3S/c28-23-8-5-20(25-2-1-17-36-25)18-24(23)30-26(33)19-3-6-21(7-4-19)29-22-9-11-31(12-10-22)27(34)32-13-15-35-16-14-32/h1-8,17-18,22,29H,9-16,28H2,(H,30,33)	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
					More data for this Ligand-Target Pair