null

SMILES: Cn1cnnc1Sc1ccc(N)c(c1)C(=O)Nc1ccccn1

InChI Key: InChIKey=TYXKKHYHRXJCGS-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50248445   

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))	BDBM50248445 (2-amino-5-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(...) Show SMILES Cn1cnnc1Sc1ccc(N)c(c1)C(=O)Nc1ccccn1 Show InChI InChI=1S/C15H14N6OS/c1-21-9-18-20-15(21)23-10-5-6-12(16)11(8-10)14(22)19-13-4-2-3-7-17-13/h2-9H,16H2,1H3,(H,17,19,22)	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	230	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))	BDBM50248445 (2-amino-5-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(...) Show SMILES Cn1cnnc1Sc1ccc(N)c(c1)C(=O)Nc1ccccn1 Show InChI InChI=1S/C15H14N6OS/c1-21-9-18-20-15(21)23-10-5-6-12(16)11(8-10)14(22)19-13-4-2-3-7-17-13/h2-9H,16H2,1H3,(H,17,19,22)	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	1.20E+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