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SMILES: COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccn1

InChI Key: InChIKey=GYBUADPJPWFDQT-UHFFFAOYSA-N

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 = 50155755   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Solute carrier family 2, facilitated glucose transporter member 3


(Homo sapiens (Human))
BDBM50155755
PNG
(CHEMBL3780349)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccn1
Show InChI InChI=1S/C21H21N7O/c1-29-18-7-3-2-6-17(18)26-10-12-27(13-11-26)20-16-14-25-28(21(16)24-15-23-20)19-8-4-5-9-22-19/h2-9,14-15H,10-13H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 940n/an/an/an/an/an/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))
BDBM50155755
PNG
(CHEMBL3780349)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccn1
Show InChI InChI=1S/C21H21N7O/c1-29-18-7-3-2-6-17(18)26-10-12-27(13-11-26)20-16-14-25-28(21(16)24-15-23-20)19-8-4-5-9-22-19/h2-9,14-15H,10-13H2,1H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 8.00E+3n/an/an/an/an/an/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
Solute carrier family 2, facilitated glucose transporter member 1


(Homo sapiens (Human))
BDBM50155755
PNG
(CHEMBL3780349)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccn1
Show InChI InChI=1S/C21H21N7O/c1-29-18-7-3-2-6-17(18)26-10-12-27(13-11-26)20-16-14-25-28(21(16)24-15-23-20)19-8-4-5-9-22-19/h2-9,14-15H,10-13H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 510n/an/an/an/an/an/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