Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM50294469'   

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))	BDBM50294469 (6-(4H-1,2,4-triazol-3-ylthio)-3-(3-fluorophenylthi...) Show SMILES Fc1cccc(Sc2ccc(Sc3nnc[nH]3)nc2C(=O)Nc2nccs2)c1 Show InChI InChI=1S/C17H11FN6OS3/c18-10-2-1-3-11(8-10)27-12-4-5-13(28-17-20-9-21-24-17)22-14(12)15(25)23-16-19-6-7-26-16/h1-9H,(H,19,23,25)(H,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of glucokinase				Bioorg Med Chem Lett 19: 2718-21 (2009) Article DOI: 10.1016/j.bmcl.2009.03.137 BindingDB Entry DOI: 10.7270/Q24M94J9
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