Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Hexokinase-2' and Ligand = 'BDBM50169020'   

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-2 (Homo sapiens (Human))	BDBM50169020 (CHEMBL3805806) Show SMILES COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)\C=C\c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C16H19Cl2NO6/c1-24-16-13(15(23)14(22)11(7-20)25-16)19-12(21)5-3-8-2-4-9(17)10(18)6-8/h2-6,11,13-16,20,22-23H,7H2,1H3,(H,19,21)/b5-3+/t11-,13-,14-,15-,16?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...				ACS Med Chem Lett 7: 217-22 (2016) Article DOI: 10.1021/acsmedchemlett.5b00214 BindingDB Entry DOI: 10.7270/Q2PR7XWW
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