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BDBM50152745 CHEMBL3780730

SMILES: [H][C@]12CN(c3ncnc4n(ncc34)-c3ccccc3)[C@]([H])(CN1c1ccccc1OC)C2

InChI Key: InChIKey=TWHZOAJMVSHZKC-ROUUACIJSA-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 = 50152745   
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))
BDBM50152745
PNG
(CHEMBL3780730)
Show SMILES [H][C@]12CN(c3ncnc4n(ncc34)-c3ccccc3)[C@]([H])(CN1c1ccccc1OC)C2 |r|
Show InChI InChI=1S/C23H22N6O/c1-30-21-10-6-5-9-20(21)27-13-18-11-17(27)14-28(18)22-19-12-26-29(23(19)25-15-24-22)16-7-3-2-4-8-16/h2-10,12,15,17-18H,11,13-14H2,1H3/t17-,18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.30E+3n/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 2


(Homo sapiens (Human))
BDBM50152745
PNG
(CHEMBL3780730)
Show SMILES [H][C@]12CN(c3ncnc4n(ncc34)-c3ccccc3)[C@]([H])(CN1c1ccccc1OC)C2 |r|
Show InChI InChI=1S/C23H22N6O/c1-30-21-10-6-5-9-20(21)27-13-18-11-17(27)14-28(18)22-19-12-26-29(23(19)25-15-24-22)16-7-3-2-4-8-16/h2-10,12,15,17-18H,11,13-14H2,1H3/t17-,18-/m0/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+4n/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 3


(Homo sapiens (Human))
BDBM50152745
PNG
(CHEMBL3780730)
Show SMILES [H][C@]12CN(c3ncnc4n(ncc34)-c3ccccc3)[C@]([H])(CN1c1ccccc1OC)C2 |r|
Show InChI InChI=1S/C23H22N6O/c1-30-21-10-6-5-9-20(21)27-13-18-11-17(27)14-28(18)22-19-12-26-29(23(19)25-15-24-22)16-7-3-2-4-8-16/h2-10,12,15,17-18H,11,13-14H2,1H3/t17-,18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.10E+3n/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