Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM260377'   

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))	BDBM260377 (US9527838, 5) Show SMILES CCOC(=O)C(C)(C)CSc1cnc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(OC)cc2)s1 Show InChI InChI=1S/C26H28N6O4S4/c1-6-36-23(34)26(2,3)14-37-20-13-27-24(40-20)30-22(33)21-18(38-17-9-7-16(35-5)8-10-17)11-12-19(29-21)39-25-31-28-15-32(25)4/h7-13,15H,6,14H2,1-5H3,(H,27,30,33)	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	14.3	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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