BindingDB logo
myBDB logout

null

SMILES: COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1F

InChI Key: InChIKey=DXJIXNIYGMNIFL-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 = 50152824   
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))
BDBM50152824
PNG
(CHEMBL3781548)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C22H21FN6O/c1-30-20-9-5-4-8-19(20)27-10-12-28(13-11-27)21-16-14-26-29(22(16)25-15-24-21)18-7-3-2-6-17(18)23/h2-9,14-15H,10-13H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 7n/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))
BDBM50152824
PNG
(CHEMBL3781548)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C22H21FN6O/c1-30-20-9-5-4-8-19(20)27-10-12-28(13-11-27)21-16-14-26-29(22(16)25-15-24-21)18-7-3-2-6-17(18)23/h2-9,14-15H,10-13H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 40n/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))
BDBM50152824
PNG
(CHEMBL3781548)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C22H21FN6O/c1-30-20-9-5-4-8-19(20)27-10-12-28(13-11-27)21-16-14-26-29(22(16)25-15-24-21)18-7-3-2-6-17(18)23/h2-9,14-15H,10-13H2,1H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.10E+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