Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM260390'   

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 (Homo sapiens (Human))	BDBM260390 (US9527838, 18) Show SMILES CCOC(=O)CSc1cnc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(F)cc2)s1 Show InChI InChI=1S/C22H19FN6O3S4/c1-3-32-17(30)11-33-18-10-24-21(36-18)27-20(31)19-15(34-14-6-4-13(23)5-7-14)8-9-16(26-19)35-22-28-25-12-29(22)2/h4-10,12H,3,11H2,1-2H3,(H,24,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	13.4	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...				US Patent US9527838 (2016) BindingDB Entry DOI: 10.7270/Q2RV0MN1
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