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BDBM50155714 CHEMBL3781157

SMILES: COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1

InChI Key: InChIKey=DCMMFESPZVINMW-XADRRFQNSA-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 = 50155714   
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))
BDBM50155714
PNG
(CHEMBL3781157)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C26H25Br2ClN4O/c27-19-10-18-7-6-17-11-20(29)12-21(28)23(17)25(24(18)31-15-19)33-9-2-1-5-22(33)26(34)32-14-16-4-3-8-30-13-16/h3-4,8,10-13,15,22,25H,1-2,5-7,9,14H2,(H,32,34)/t22-,25?/m0/s1
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PubMed
n/an/a 250n/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))
BDBM50155714
PNG
(CHEMBL3781157)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C26H25Br2ClN4O/c27-19-10-18-7-6-17-11-20(29)12-21(28)23(17)25(24(18)31-15-19)33-9-2-1-5-22(33)26(34)32-14-16-4-3-8-30-13-16/h3-4,8,10-13,15,22,25H,1-2,5-7,9,14H2,(H,32,34)/t22-,25?/m0/s1
NCI pathway
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KEGG

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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 1


(Homo sapiens (Human))
BDBM50155714
PNG
(CHEMBL3781157)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C26H25Br2ClN4O/c27-19-10-18-7-6-17-11-20(29)12-21(28)23(17)25(24(18)31-15-19)33-9-2-1-5-22(33)26(34)32-14-16-4-3-8-30-13-16/h3-4,8,10-13,15,22,25H,1-2,5-7,9,14H2,(H,32,34)/t22-,25?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 25n/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