null

SMILES: CCOC(=O)c1csc(NC(=O)c2cc(Sc3nncn3C)ccc2N)n1

InChI Key: InChIKey=HYOOETYSCFRNOM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50248489   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Hexokinase-4 (Homo sapiens (Human))	BDBM50248489 (CHEMBL491322 | ethyl 2-(2-amino-5-(4-methyl-4H-1,2...) Show SMILES CCOC(=O)c1csc(NC(=O)c2cc(Sc3nncn3C)ccc2N)n1 Show InChI InChI=1S/C16H16N6O3S2/c1-3-25-14(24)12-7-26-15(19-12)20-13(23)10-6-9(4-5-11(10)17)27-16-21-18-8-22(16)2/h4-8H,3,17H2,1-2H3,(H,19,20,23)	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	420	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))	BDBM50248489 (CHEMBL491322 | ethyl 2-(2-amino-5-(4-methyl-4H-1,2...) Show SMILES CCOC(=O)c1csc(NC(=O)c2cc(Sc3nncn3C)ccc2N)n1 Show InChI InChI=1S/C16H16N6O3S2/c1-3-25-14(24)12-7-26-15(19-12)20-13(23)10-6-9(4-5-11(10)17)27-16-21-18-8-22(16)2/h4-8H,3,17H2,1-2H3,(H,19,20,23)	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	1.10E+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