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Found 1 hit Enz. Inhib. hit(s) with Target = 'Hexokinase-2' and Ligand = 'BDBM50169017'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Hexokinase-2


(Homo sapiens (Human))		BDBM50169017
PNG
(CHEMBL3804930)
Show SMILES OC[C@H]1OC(O)[C@H](NC(=O)c2cc(cc(c2)C(F)(F)F)-c2ccc(cc2)C#N)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H19F3N2O6/c22-21(23,24)14-6-12(11-3-1-10(8-25)2-4-11)5-13(7-14)19(30)26-16-18(29)17(28)15(9-27)32-20(16)31/h1-7,15-18,20,27-29,31H,9H2,(H,26,30)/t15-,16-,17-,18-,20?/m1/s1
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Similars
Article
PubMed
n/an/a 790n/an/an/an/an/an/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
More data for this
Ligand-Target Pair