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BDBM50155747 CHEMBL3781194

SMILES: COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccc(cc1)C#N

InChI Key: InChIKey=ONEQVTDJEHHOEX-UHFFFAOYSA-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 = 50155747   
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))
BDBM50155747
PNG
(CHEMBL3781194)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H21N7O/c1-31-21-5-3-2-4-20(21)28-10-12-29(13-11-28)22-19-15-27-30(23(19)26-16-25-22)18-8-6-17(14-24)7-9-18/h2-9,15-16H,10-13H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/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)


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))
BDBM50155747
PNG
(CHEMBL3781194)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H21N7O/c1-31-21-5-3-2-4-20(21)28-10-12-29(13-11-28)22-19-15-27-30(23(19)26-16-25-22)18-8-6-17(14-24)7-9-18/h2-9,15-16H,10-13H2,1H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
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)


Article DOI: 10.1016/j.bmcl.2016.02.050
BindingDB Entry DOI: 10.7270/Q2639RM3
More data for this
Ligand-Target Pair
Glucose transporter


(Homo sapiens (Human))
BDBM50155747
PNG
(CHEMBL3781194)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H21N7O/c1-31-21-5-3-2-4-20(21)28-10-12-29(13-11-28)22-19-15-27-30(23(19)26-16-25-22)18-8-6-17(14-24)7-9-18/h2-9,15-16H,10-13H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/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)


Article DOI: 10.1016/j.bmcl.2016.02.050
BindingDB Entry DOI: 10.7270/Q2639RM3
More data for this
Ligand-Target Pair