Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM50248390'   

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))	BDBM50248390 (5-(1H-imidazol-2-ylthio)-2-amino-N-(4-methylthiazo...) Show SMILES Cc1csc(NC(=O)c2cc(Sc3ncc[nH]3)ccc2N)n1 Show InChI InChI=1S/C14H13N5OS2/c1-8-7-21-14(18-8)19-12(20)10-6-9(2-3-11(10)15)22-13-16-4-5-17-13/h2-7H,15H2,1H3,(H,16,17)(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	380	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))	BDBM50248390 (5-(1H-imidazol-2-ylthio)-2-amino-N-(4-methylthiazo...) Show SMILES Cc1csc(NC(=O)c2cc(Sc3ncc[nH]3)ccc2N)n1 Show InChI InChI=1S/C14H13N5OS2/c1-8-7-21-14(18-8)19-12(20)10-6-9(2-3-11(10)15)22-13-16-4-5-17-13/h2-7H,15H2,1H3,(H,16,17)(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60E+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