Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM260388'   

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))	BDBM260388 (US9527838, 16) Show SMILES CCOC(=O)Cc1csc(NC(=O)c2nc(Sc3ccccn3)ccc2Sc2ccc(OC)cc2)n1 Show InChI InChI=1S/C25H22N4O4S3/c1-3-33-22(30)14-16-15-34-25(27-16)29-24(31)23-19(35-18-9-7-17(32-2)8-10-18)11-12-21(28-23)36-20-6-4-5-13-26-20/h4-13,15H,3,14H2,1-2H3,(H,27,29,31)	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	275	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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