BDBM50248534 5-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(4-methylthiazol-2-yl)-2-nitrobenzamide::CHEMBL491496

SMILES: Cc1csc(NC(=O)c2cc(Sc3nncn3C)ccc2[N+]([O-])=O)n1

InChI Key: InChIKey=ZXVRJZQXERNDBR-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50248534   

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))	BDBM50248534 (5-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(4-methyl...) Show SMILES Cc1csc(NC(=O)c2cc(Sc3nncn3C)ccc2[N+]([O-])=O)n1 Show InChI InChI=1S/C14H12N6O3S2/c1-8-6-24-13(16-8)17-12(21)10-5-9(3-4-11(10)20(22)23)25-14-18-15-7-19(14)2/h3-7H,1-2H3,(H,16,17,21)	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	>1.00E+4	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))	BDBM50248534 (5-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(4-methyl...) Show SMILES Cc1csc(NC(=O)c2cc(Sc3nncn3C)ccc2[N+]([O-])=O)n1 Show InChI InChI=1S/C14H12N6O3S2/c1-8-6-24-13(16-8)17-12(21)10-5-9(3-4-11(10)20(22)23)25-14-18-15-7-19(14)2/h3-7H,1-2H3,(H,16,17,21)	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	>1.00E+4	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