Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 3' and Ligand = 'BDBM50568206'   

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 3 (Homo sapiens (Human))	BDBM50568206 (CHEMBL4862470) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCCN2C3CCC2c2c3cccc2-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,TLB:24:25:30.31:27.28,(78.21,-22.01,;76.81,-21.36,;75.57,-22.25,;75.7,-23.79,;74.16,-21.62,;72.91,-22.51,;71.51,-21.87,;70.25,-22.75,;68.86,-22.12,;67.6,-23.01,;67.75,-24.54,;69.14,-25.19,;70.4,-24.29,;69.3,-26.71,;70.19,-27.96,;68.66,-28.1,;67.28,-27.31,;65.91,-28.1,;65.91,-29.68,;67.28,-30.48,;68.67,-29.69,;61.98,-30.85,;60.45,-30.26,;60.19,-28.64,;61.47,-27.61,;61.21,-26,;59.75,-25.61,;60.77,-26.76,;62.28,-26.46,;62.77,-25,;61.74,-23.85,;60.24,-24.16,;59.22,-22.99,;59.72,-21.52,;61.21,-21.24,;62.24,-22.39,;63.74,-22.09,;64.38,-20.69,;65.91,-20.86,;66.21,-22.37,;64.87,-23.12,)| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC3 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128168 BindingDB Entry DOI: 10.7270/Q2QR51V7
					More data for this Ligand-Target Pair