BDBM50248533 3-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(4-methylthiazol-2-yl)benzamide::CHEMBL491325::N-(4-Methyl-1,3-thiazol-2-yl)-3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide

SMILES: Cc1csc(NC(=O)c2cccc(Sc3nncn3C)c2)n1

InChI Key: InChIKey=COKVVWDZEYYJFF-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50248533   

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))	BDBM50248533 (3-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(4-methyl...) Show SMILES Cc1csc(NC(=O)c2cccc(Sc3nncn3C)c2)n1 Show InChI InChI=1S/C14H13N5OS2/c1-9-7-21-13(16-9)17-12(20)10-4-3-5-11(6-10)22-14-18-15-8-19(14)2/h3-8H,1-2H3,(H,16,17,20)	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	7.30E+3	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...				Bioorg Med Chem 17: 2733-43 (2009) Article DOI: 10.1016/j.bmc.2009.02.038 BindingDB Entry DOI: 10.7270/Q2NV9J4Z
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50248533 (3-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(4-methyl...) Show SMILES Cc1csc(NC(=O)c2cccc(Sc3nncn3C)c2)n1 Show InChI InChI=1S/C14H13N5OS2/c1-9-7-21-13(16-9)17-12(20)10-4-3-5-11(6-10)22-14-18-15-8-19(14)2/h3-8H,1-2H3,(H,16,17,20)	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	1.50E+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 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))	BDBM50248533 (3-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(4-methyl...) Show SMILES Cc1csc(NC(=O)c2cccc(Sc3nncn3C)c2)n1 Show InChI InChI=1S/C14H13N5OS2/c1-9-7-21-13(16-9)17-12(20)10-4-3-5-11(6-10)22-14-18-15-8-19(14)2/h3-8H,1-2H3,(H,16,17,20)	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	7.30E+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
Hexokinase-4 (Homo sapiens (Human))	BDBM50248533 (3-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(4-methyl...) Show SMILES Cc1csc(NC(=O)c2cccc(Sc3nncn3C)c2)n1 Show InChI InChI=1S/C14H13N5OS2/c1-9-7-21-13(16-9)17-12(20)10-4-3-5-11(6-10)22-14-18-15-8-19(14)2/h3-8H,1-2H3,(H,16,17,20)	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	1.50E+3	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...				Bioorg Med Chem 17: 2733-43 (2009) Article DOI: 10.1016/j.bmc.2009.02.038 BindingDB Entry DOI: 10.7270/Q2NV9J4Z
					More data for this Ligand-Target Pair