Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM260382'   

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))	BDBM260382 (US9527838, 10) Show SMILES CCOC(=O)CSc1cnc(NC(=O)c2nc(Nc3ccccn3)ccc2Sc2ccc(OC)cc2)s1 Show InChI InChI=1S/C25H23N5O4S3/c1-3-34-21(31)15-35-22-14-27-25(37-22)30-24(32)23-18(36-17-9-7-16(33-2)8-10-17)11-12-20(29-23)28-19-6-4-5-13-26-19/h4-14H,3,15H2,1-2H3,(H,26,28,29)(H,27,30,32)	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	35.2	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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