Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 385.4 BDBM50152740

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

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
Solute carrier family 2, facilitated glucose transporter member 1 (Homo sapiens (Human))	BDBM50152740 (CHEMBL3781668) Show SMILES COc1ccccc1C1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1 Show InChI InChI=1S/C23H23N5O/c1-29-21-10-6-5-9-19(21)17-11-13-27(14-12-17)22-20-15-26-28(23(20)25-16-24-22)18-7-3-2-4-8-18/h2-10,15-17H,11-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma AG Curated by ChEMBL					Assay Description Inhibition of human GLUT1 expressed in DLD1 cells assessed as ATP production co-incubated with 100 mM glucose for 16 hrs by CellTiter-Glo assay in pr...				Bioorg Med Chem Lett 26: 1732-7 (2016) Article DOI: 10.1016/j.bmcl.2016.02.050 BindingDB Entry DOI: 10.7270/Q2639RM3
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 2 (Homo sapiens (Human))	BDBM50152740 (CHEMBL3781668) Show SMILES COc1ccccc1C1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1 Show InChI InChI=1S/C23H23N5O/c1-29-21-10-6-5-9-19(21)17-11-13-27(14-12-17)22-20-15-26-28(23(20)25-16-24-22)18-7-3-2-4-8-18/h2-10,15-17H,11-14H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma AG Curated by ChEMBL					Assay Description Inhibition of human GLUT2 expressed in CHO cells assessed as ATP production co-incubated with 30 mM fructose for 16 hrs by CellTiter-Glo assay in pre...				Bioorg Med Chem Lett 26: 1732-7 (2016) Article DOI: 10.1016/j.bmcl.2016.02.050 BindingDB Entry DOI: 10.7270/Q2639RM3
					More data for this Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 3 (Homo sapiens (Human))	BDBM50152740 (CHEMBL3781668) Show SMILES COc1ccccc1C1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1 Show InChI InChI=1S/C23H23N5O/c1-29-21-10-6-5-9-19(21)17-11-13-27(14-12-17)22-20-15-26-28(23(20)25-16-24-22)18-7-3-2-4-8-18/h2-10,15-17H,11-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma AG Curated by ChEMBL					Assay Description Inhibition of human GLUT3 expressed in GLUT1 knock-out DLD1 cells assessed as ATP production co-incubated with 300 mM glucose for 16 hrs by CellTiter...				Bioorg Med Chem Lett 26: 1732-7 (2016) Article DOI: 10.1016/j.bmcl.2016.02.050 BindingDB Entry DOI: 10.7270/Q2639RM3
					More data for this Ligand-Target Pair