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SMILES: COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1OC

InChI Key: InChIKey=DPFPGZSWZKCTBK-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 = 50152825   
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 1


(Homo sapiens (Human))
BDBM50152825
PNG
(CHEMBL3780235)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1OC
Show InChI InChI=1S/C23H24N6O2/c1-30-20-9-5-3-7-18(20)27-11-13-28(14-12-27)22-17-15-26-29(23(17)25-16-24-22)19-8-4-6-10-21(19)31-2/h3-10,15-16H,11-14H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 50n/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
Solute carrier family 2, facilitated glucose transporter member 3


(Homo sapiens (Human))
BDBM50152825
PNG
(CHEMBL3780235)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1OC
Show InChI InChI=1S/C23H24N6O2/c1-30-20-9-5-3-7-18(20)27-11-13-28(14-12-27)22-17-15-26-29(23(17)25-16-24-22)19-8-4-6-10-21(19)31-2/h3-10,15-16H,11-14H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 110n/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))
BDBM50152825
PNG
(CHEMBL3780235)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1OC
Show InChI InChI=1S/C23H24N6O2/c1-30-20-9-5-3-7-18(20)27-11-13-28(14-12-27)22-17-15-26-29(23(17)25-16-24-22)19-8-4-6-10-21(19)31-2/h3-10,15-16H,11-14H2,1-2H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.20E+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