Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM260417'   

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))	BDBM260417 (US9527838, 45) Show SMILES CCOP(=O)(Cc1cnc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(cc2)C(F)(F)F)s1)OCC Show InChI InChI=1S/C24H24F3N6O4PS3/c1-4-36-38(35,37-5-2)13-17-12-28-22(40-17)31-21(34)20-18(39-16-8-6-15(7-9-16)24(25,26)27)10-11-19(30-20)41-23-32-29-14-33(23)3/h6-12,14H,4-5,13H2,1-3H3,(H,28,31,34)	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	350	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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