Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM239066'   

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
Hexokinase-4 (Mus musculus (Mouse))	BDBM239066 (US9409900, 13) Show SMILES Cc1cnc(Nc2ccc(Oc3ccc(nc3)S(C)(=O)=O)c(CN3CCCC3=O)c2)s1 Show InChI InChI=1S/C21H22N4O4S2/c1-14-11-23-21(30-14)24-16-5-7-18(15(10-16)13-25-9-3-4-20(25)26)29-17-6-8-19(22-12-17)31(2,27)28/h5-8,10-12H,3-4,9,13H2,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	7.1	n/a
FUJIAN HAIXI PHARMACEUTICALS, INC.; BETTA PHARMACUETICALS CO., LTD. US Patent					Assay Description The final assay volume was 200 uL and the final buffer conditions used in this assay were as follows: 25 mM HEPES, 5 mM glucose, 1 mM ATP, 2 mM MgCl2...				US Patent US9409900 (2016) BindingDB Entry DOI: 10.7270/Q2SF2V3P
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