Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase TAO2' and Ligand = 'BDBM50536352'   

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
Serine/threonine-protein kinase TAO2 (Rattus norvegicus)	BDBM50536352 (CHEMBL4561613) Show SMILES CN1C(NC(=O)CC2CCC(Br)CC2)Sc2cc(ccc12)S(C)(=O)=O |(19.7,-18.53,;20.86,-19.56,;20.7,-21.1,;19.36,-21.87,;18.02,-21.1,;18.02,-19.55,;16.69,-21.87,;16.69,-23.41,;15.36,-24.18,;15.35,-25.71,;16.68,-26.49,;16.68,-28.03,;18.02,-25.72,;18.03,-24.17,;22.11,-21.72,;23.14,-20.57,;24.68,-20.58,;25.46,-19.25,;24.68,-17.91,;23.14,-17.91,;22.38,-19.24,;27,-19.25,;27.76,-20.59,;27.39,-17.76,;28.49,-18.85,)| Show InChI InChI=1S/C17H23BrN2O3S2/c1-20-14-8-7-13(25(2,22)23)10-15(14)24-17(20)19-16(21)9-11-3-5-12(18)6-4-11/h7-8,10-12,17H,3-6,9H2,1-2H3,(H,19,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of rat TAOK2 (1 to 320 residues) expressed in Baculovirus/insect cell expression system assessed as remaining activity using MBP as substr...				Bioorg Med Chem Lett 26: 3923-7 (2016) Article DOI: 10.1016/j.bmcl.2016.07.016 BindingDB Entry DOI: 10.7270/Q2G44TS3
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