Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM50248441'   

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))	BDBM50248441 (5-(4H-1,2,4-triazol-3-ylthio)-2-amino-N-(4-methylt...) Show SMILES Cc1csc(NC(=O)c2cc(Sc3nnc[nH]3)ccc2N)n1 Show InChI InChI=1S/C13H12N6OS2/c1-7-5-21-13(17-7)18-11(20)9-4-8(2-3-10(9)14)22-12-15-6-16-19-12/h2-6H,14H2,1H3,(H,15,16,19)(H,17,18,20)	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	540	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human glucokinase by glucose-6-phosphate dehydrogenase coupled continuous spectrophotometric assay in presence of 10 mM glucose				Bioorg Med Chem Lett 19: 1357-60 (2009) Article DOI: 10.1016/j.bmcl.2009.01.053 BindingDB Entry DOI: 10.7270/Q2PC3285
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50248441 (5-(4H-1,2,4-triazol-3-ylthio)-2-amino-N-(4-methylt...) Show SMILES Cc1csc(NC(=O)c2cc(Sc3nnc[nH]3)ccc2N)n1 Show InChI InChI=1S/C13H12N6OS2/c1-7-5-21-13(17-7)18-11(20)9-4-8(2-3-10(9)14)22-12-15-6-16-19-12/h2-6H,14H2,1H3,(H,15,16,19)(H,17,18,20)	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	2.40E+3	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human glucokinase by glucose-6-phosphate dehydrogenase coupled continuous spectrophotometric assay in presence of 2.5 mM glucose				Bioorg Med Chem Lett 19: 1357-60 (2009) Article DOI: 10.1016/j.bmcl.2009.01.053 BindingDB Entry DOI: 10.7270/Q2PC3285
					More data for this Ligand-Target Pair