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BDBM50155677 CHEMBL3780765

SMILES: COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1cccc(c1)C#N

InChI Key: InChIKey=SLJHJMKUVDGUKD-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50155677   
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))
BDBM50155677
PNG
(CHEMBL3780765)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1cccc(c1)C#N
Show InChI InChI=1S/C23H21N7O/c1-31-21-8-3-2-7-20(21)28-9-11-29(12-10-28)22-19-15-27-30(23(19)26-16-25-22)18-6-4-5-17(13-18)14-24/h2-8,13,15-16H,9-12H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 350n/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
Glucose transporter


(Homo sapiens (Human))
BDBM50155677
PNG
(CHEMBL3780765)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1cccc(c1)C#N
Show InChI InChI=1S/C23H21N7O/c1-31-21-8-3-2-7-20(21)28-9-11-29(12-10-28)22-19-15-27-30(23(19)26-16-25-22)18-6-4-5-17(13-18)14-24/h2-8,13,15-16H,9-12H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 33n/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