Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM50251830'   

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))	BDBM50251830 ((Z)-2-(4-(methylsulfonyl)phenyl)-N-(thiazol-2-yl)-...) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=C/c1cccs1)\C(=O)Nc1nccs1 Show InChI InChI=1S/C17H14N2O3S3/c1-25(21,22)14-6-4-12(5-7-14)15(11-13-3-2-9-23-13)16(20)19-17-18-8-10-24-17/h2-11H,1H3,(H,18,19,20)/b15-11+	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	560	n/a	n/a	n/a	n/a
Oxford OX4 6LT Curated by ChEMBL					Assay Description Activation of GST fused human liver glucokinase assessed as generation of NADPH by G6PDH coupled assay				J Med Chem 51: 4340-5 (2008) Article DOI: 10.1021/jm8003202 BindingDB Entry DOI: 10.7270/Q2R49QKJ
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