BDBM50152823 CHEMBL3780054

SMILES: COc1ccccc1N1CCN(CC1)c1ncnc2n(-c3ccccc3)c(=O)[nH]c12

InChI Key: InChIKey=SIIFXVJNDOYOQD-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50152823   

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
Glucose Transporter 1 (hGLUT1) (Homo sapiens (Human))	BDBM50152823 (CHEMBL3780054) Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(-c3ccccc3)c(=O)[nH]c12 Show InChI InChI=1S/C22H22N6O2/c1-30-18-10-6-5-9-17(18)26-11-13-27(14-12-26)20-19-21(24-15-23-20)28(22(29)25-19)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	53	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) 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))	BDBM50152823 (CHEMBL3780054) Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(-c3ccccc3)c(=O)[nH]c12 Show InChI InChI=1S/C22H22N6O2/c1-30-18-10-6-5-9-17(18)26-11-13-27(14-12-26)20-19-21(24-15-23-20)28(22(29)25-19)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	630	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) 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))	BDBM50152823 (CHEMBL3780054) Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(-c3ccccc3)c(=O)[nH]c12 Show InChI InChI=1S/C22H22N6O2/c1-30-18-10-6-5-9-17(18)26-11-13-27(14-12-26)20-19-21(24-15-23-20)28(22(29)25-19)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,25,29)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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) BindingDB Entry DOI: 10.7270/Q2639RM3
					More data for this Ligand-Target Pair