BDBM50248487 2-amino-5-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(thiazol-2-yl)benzamide::CHEMBL491121

SMILES: Cn1cnnc1Sc1ccc(N)c(c1)C(=O)Nc1nccs1

InChI Key: InChIKey=SGEAXPZPLDIFIY-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 = 50248487   

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))	BDBM50248487 (2-amino-5-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(...) Show SMILES Cn1cnnc1Sc1ccc(N)c(c1)C(=O)Nc1nccs1 Show InChI InChI=1S/C13H12N6OS2/c1-19-7-16-18-13(19)22-8-2-3-10(14)9(6-8)11(20)17-12-15-4-5-21-12/h2-7H,14H2,1H3,(H,15,17,20)	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	350	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))	BDBM50248487 (2-amino-5-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(...) Show SMILES Cn1cnnc1Sc1ccc(N)c(c1)C(=O)Nc1nccs1 Show InChI InChI=1S/C13H12N6OS2/c1-19-7-16-18-13(19)22-8-2-3-10(14)9(6-8)11(20)17-12-15-4-5-21-12/h2-7H,14H2,1H3,(H,15,17,20)	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	140	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: 3800-9 (2009) Article DOI: 10.1016/j.bmc.2009.04.040 BindingDB Entry DOI: 10.7270/Q21R6QJN
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50248487 (2-amino-5-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(...) Show SMILES Cn1cnnc1Sc1ccc(N)c(c1)C(=O)Nc1nccs1 Show InChI InChI=1S/C13H12N6OS2/c1-19-7-16-18-13(19)22-8-2-3-10(14)9(6-8)11(20)17-12-15-4-5-21-12/h2-7H,14H2,1H3,(H,15,17,20)	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	420	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: 3800-9 (2009) Article DOI: 10.1016/j.bmc.2009.04.040 BindingDB Entry DOI: 10.7270/Q21R6QJN
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50248487 (2-amino-5-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(...) Show SMILES Cn1cnnc1Sc1ccc(N)c(c1)C(=O)Nc1nccs1 Show InChI InChI=1S/C13H12N6OS2/c1-19-7-16-18-13(19)22-8-2-3-10(14)9(6-8)11(20)17-12-15-4-5-21-12/h2-7H,14H2,1H3,(H,15,17,20)	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	130	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