Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 2' and Ligand = 'BDBM50568209'   

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))	BDBM50568209 (CHEMBL4853593) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCOCCn2ccc3cc(ccc3c2=O)-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,(78.93,-40.88,;77.54,-40.24,;76.29,-41.13,;76.43,-42.66,;74.89,-40.49,;73.64,-41.38,;72.24,-40.74,;70.98,-41.63,;69.6,-40.99,;68.34,-41.88,;68.48,-43.41,;69.88,-44.06,;71.14,-43.16,;70.04,-45.57,;70.92,-46.83,;69.39,-46.96,;68.01,-46.18,;66.65,-46.96,;66.65,-48.55,;68.02,-49.34,;69.41,-48.55,;65.26,-49.35,;61.83,-47.66,;57.1,-47.99,;54.94,-45.64,;55.51,-42.82,;57.41,-41.01,;57.91,-39.53,;59.43,-39.23,;60.46,-40.39,;61.95,-40.11,;62.97,-41.26,;62.48,-42.72,;60.98,-43.03,;59.96,-41.87,;58.44,-42.17,;57.93,-43.7,;64.48,-40.96,;65.11,-39.56,;66.64,-39.74,;66.94,-41.24,;65.61,-41.99,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC2 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128168 BindingDB Entry DOI: 10.7270/Q2QR51V7
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