Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 2' and Ligand = 'BDBM347476'   

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))	BDBM347476 (US9790180, ID 010) Show SMILES CC1(CCN(CC1)C(=O)N1CCNCC1)Nc1ncc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C26H32N8O2S/c1-26(6-10-33(11-7-26)25(36)34-12-8-28-9-13-34)32-24-29-16-19(17-30-24)23(35)31-21-15-18(4-5-20(21)27)22-3-2-14-37-22/h2-5,14-17,28H,6-13,27H2,1H3,(H,31,35)(H,29,30,32)	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	26	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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