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Target
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Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 381.4
BDBM50155684
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
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Solute carrier family 2, facilitated glucose transporter member 1
(Homo sapiens (Human))
BDBM50155684
(CHEMBL3781094)
Show SMILES
N#Cc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
Show InChI
InChI=1S/C22H19N7/c23-14-17-6-4-5-9-20(17)27-10-12-28(13-11-27)21-19-15-26-29(22(19)25-16-24-21)18-7-2-1-3-8-18/h1-9,15-16H,10-13H2
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
Article
PubMed
n/a
n/a
1.81E+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 3
(Homo sapiens (Human))
BDBM50155684
(CHEMBL3781094)
Show SMILES
N#Cc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
Show InChI
InChI=1S/C22H19N7/c23-14-17-6-4-5-9-20(17)27-10-12-28(13-11-27)21-19-15-26-29(22(19)25-16-24-21)18-7-2-1-3-8-18/h1-9,15-16H,10-13H2
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
Article
PubMed
n/a
n/a
2.05E+3
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
Solute carrier family 2, facilitated glucose transporter member 2
(Homo sapiens (Human))
BDBM50155684
(CHEMBL3781094)
Show SMILES
N#Cc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
Show InChI
InChI=1S/C22H19N7/c23-14-17-6-4-5-9-20(17)27-10-12-28(13-11-27)21-19-15-26-29(22(19)25-16-24-21)18-7-2-1-3-8-18/h1-9,15-16H,10-13H2
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
Article
PubMed
n/a
n/a
5.99E+3
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