Identical Ligands in BindingDB

Found 7 hits Enzyme Inhibition Constant Data   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Hexokinase-4   (450/450 = 100%)† (Homo sapiens (Human))	BDBM50248442 (2-amino-5-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(...) Show SMILES Cc1csc(NC(=O)c2cc(Sc3nncn3C)ccc2N)n1 Show InChI InChI=1S/C14H14N6OS2/c1-8-6-22-13(17-8)18-12(21)10-5-9(3-4-11(10)15)23-14-19-16-7-20(14)2/h3-7H,15H2,1-2H3,(H,17,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB 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 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				3D Structure (crystal)
Hexokinase-4   (450/450 = 100%)† (Homo sapiens (Human))	BDBM50248442 (2-amino-5-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(...) Show SMILES Cc1csc(NC(=O)c2cc(Sc3nncn3C)ccc2N)n1 Show InChI InChI=1S/C14H14N6OS2/c1-8-6-22-13(17-8)18-12(21)10-5-9(3-4-11(10)15)23-14-19-16-7-20(14)2/h3-7H,15H2,1-2H3,(H,17,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB 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 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				3D Structure (crystal)
Hexokinase-4   (450/450 = 100%)† (Homo sapiens (Human))	BDBM50248442 (2-amino-5-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(...) Show SMILES Cc1csc(NC(=O)c2cc(Sc3nncn3C)ccc2N)n1 Show InChI InChI=1S/C14H14N6OS2/c1-8-6-22-13(17-8)18-12(21)10-5-9(3-4-11(10)15)23-14-19-16-7-20(14)2/h3-7H,15H2,1-2H3,(H,17,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB 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: 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				3D Structure (crystal)
Hexokinase-4   (450/450 = 100%)† (Homo sapiens (Human))	BDBM50248442 (2-amino-5-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(...) Show SMILES Cc1csc(NC(=O)c2cc(Sc3nncn3C)ccc2N)n1 Show InChI InChI=1S/C14H14N6OS2/c1-8-6-22-13(17-8)18-12(21)10-5-9(3-4-11(10)15)23-14-19-16-7-20(14)2/h3-7H,15H2,1-2H3,(H,17,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a
Florida State University Curated by ChEMBL					Assay Description Binding affinity to recombinant wild-type human pancreatic glucokinase expressed in Escherichia coli K-12 at 11 uM by isothermal titration calorimetr...				ACS Med Chem Lett 4: (2013) Article DOI: 10.1021/ml400061x BindingDB Entry DOI: 10.7270/Q2T72JTM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hexokinase-4   (450/450 = 100%)† (Homo sapiens (Human))	BDBM50248442 (2-amino-5-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(...) Show SMILES Cc1csc(NC(=O)c2cc(Sc3nncn3C)ccc2N)n1 Show InChI InChI=1S/C14H14N6OS2/c1-8-6-22-13(17-8)18-12(21)10-5-9(3-4-11(10)15)23-14-19-16-7-20(14)2/h3-7H,15H2,1-2H3,(H,17,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB 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 N-terminal His-tagged human recombinant liver glucokinase expressed in Escherichia coli BL21 (DE3) by glucose-6-phosphate dehydrogenase...				Bioorg Med Chem Lett 19: 5531-8 (2009) Article DOI: 10.1016/j.bmcl.2009.08.064 BindingDB Entry DOI: 10.7270/Q2QR4X63
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hexokinase-4   (450/450 = 100%)† (Homo sapiens (Human))	BDBM50248442 (2-amino-5-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(...) Show SMILES Cc1csc(NC(=O)c2cc(Sc3nncn3C)ccc2N)n1 Show InChI InChI=1S/C14H14N6OS2/c1-8-6-22-13(17-8)18-12(21)10-5-9(3-4-11(10)15)23-14-19-16-7-20(14)2/h3-7H,15H2,1-2H3,(H,17,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB 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 N-terminal His-tagged human recombinant liver glucokinase expressed in Escherichia coli BL21 (DE3) by glucose-6-phosphate dehydrogenase...				Bioorg Med Chem Lett 19: 5531-8 (2009) Article DOI: 10.1016/j.bmcl.2009.08.064 BindingDB Entry DOI: 10.7270/Q2QR4X63
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hexokinase-4   (450/450 = 100%)† (Homo sapiens (Human))	BDBM50248442 (2-amino-5-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(...) Show SMILES Cc1csc(NC(=O)c2cc(Sc3nncn3C)ccc2N)n1 Show InChI InChI=1S/C14H14N6OS2/c1-8-6-22-13(17-8)18-12(21)10-5-9(3-4-11(10)15)23-14-19-16-7-20(14)2/h3-7H,15H2,1-2H3,(H,17,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB 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: 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				3D Structure (crystal)

• Reorder this table by ec50
• Reorder this table by ic50
• Reorder this table by Kd
• Reorder this table by pH
• Reorder this table by T
• Reorder this table by ΔH°
• Reorder this table by -TΔS°
• Change energy units to:  kcal/mole

Search BindingMOAD for More Affinity Data: