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Compile Data Set for Download or QSAR

Found 195 hits from Bayer Pharma AG   
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
Glucose transporter


(Homo sapiens (Human))
BDBM50155671
PNG
(CHEMBL3780239)
Show SMILES COc1ccc(F)cc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C22H21FN6O/c1-30-20-8-7-16(23)13-19(20)27-9-11-28(12-10-27)21-18-14-26-29(22(18)25-15-24-21)17-5-3-2-4-6-17/h2-8,13-15H,9-12H2,1H3
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n/an/a 1n/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
Glucose Transporter 1 (hGLUT1)


(Homo sapiens (Human))
BDBM50152749
PNG
(CHEMBL3781913)
Show SMILES COc1ccccc1N1CCCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C23H24N6O/c1-30-21-11-6-5-10-20(21)27-12-7-13-28(15-14-27)22-19-16-26-29(23(19)25-17-24-22)18-8-3-2-4-9-18/h2-6,8-11,16-17H,7,12-15H2,1H3
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n/an/a 4n/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
Glucose transporter


(Homo sapiens (Human))
BDBM50155656
PNG
(CHEMBL3781331)
Show SMILES COc1ccc(cc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C23H23N7O2/c1-32-20-8-7-16(21(24)31)13-19(20)28-9-11-29(12-10-28)22-18-14-27-30(23(18)26-15-25-22)17-5-3-2-4-6-17/h2-8,13-15H,9-12H2,1H3,(H2,24,31)
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n/an/a 5n/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
Glucose transporter


(Homo sapiens (Human))
BDBM50155715
PNG
(CHEMBL3781149)
Show SMILES Oc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C26H28Br2ClN5O/c27-19-12-18-6-5-17-13-20(29)14-21(28)23(17)25(24(18)32-15-19)34-10-2-1-4-22(34)26(35)31-7-3-9-33-11-8-30-16-33/h8,11-16,22,25H,1-7,9-10H2,(H,31,35)/t22-,25?/m0/s1
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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)


Article DOI: 10.1016/j.bmcl.2016.02.050
BindingDB Entry DOI: 10.7270/Q2639RM3
More data for this
Ligand-Target Pair
Glucose Transporter 1 (hGLUT1)


(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
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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)


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 3


(Homo sapiens)
BDBM50152749
PNG
(CHEMBL3781913)
Show SMILES COc1ccccc1N1CCCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C23H24N6O/c1-30-21-11-6-5-10-20(21)27-12-7-13-28(15-14-27)22-19-16-26-29(23(19)25-17-24-22)18-8-3-2-4-9-18/h2-6,8-11,16-17H,7,12-15H2,1H3
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n/an/a 8n/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))
BDBM50155751
PNG
(CHEMBL3780460)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C22H20F2N6O/c1-31-20-5-3-2-4-19(20)28-6-8-29(9-7-28)21-18-13-27-30(22(18)26-14-25-21)17-11-15(23)10-16(24)12-17/h2-5,10-14H,6-9H2,1H3
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n/an/a 8n/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
Glucose transporter


(Homo sapiens (Human))
BDBM50155585
PNG
(CHEMBL3780372)
Show SMILES COc1ccncc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C21H21N7O/c1-29-19-7-8-22-14-18(19)26-9-11-27(12-10-26)20-17-13-25-28(21(17)24-15-23-20)16-5-3-2-4-6-16/h2-8,13-15H,9-12H2,1H3
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n/an/a 9n/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
Solute carrier family 2, facilitated glucose transporter member 3


(Homo sapiens)
BDBM50155671
PNG
(CHEMBL3780239)
Show SMILES COc1ccc(F)cc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C22H21FN6O/c1-30-20-8-7-16(23)13-19(20)27-9-11-28(12-10-27)21-18-14-26-29(22(18)25-15-24-21)17-5-3-2-4-6-17/h2-8,13-15H,9-12H2,1H3
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n/an/a 10n/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))
BDBM50155673
PNG
(CHEMBL3780972)
Show SMILES COc1cc(F)ccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C22H21FN6O/c1-30-20-13-16(23)7-8-19(20)27-9-11-28(12-10-27)21-18-14-26-29(22(18)25-15-24-21)17-5-3-2-4-6-17/h2-8,13-15H,9-12H2,1H3
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n/an/a 10n/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
Glucose Transporter 1 (hGLUT1)


(Homo sapiens (Human))
BDBM50152826
PNG
(CHEMBL3781347)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1C
Show InChI InChI=1S/C23H24N6O/c1-17-7-3-4-8-19(17)29-23-18(15-26-29)22(24-16-25-23)28-13-11-27(12-14-28)20-9-5-6-10-21(20)30-2/h3-10,15-16H,11-14H2,1-2H3
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n/an/a 10n/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
Glucose Transporter 1 (hGLUT1)


(Homo sapiens (Human))
BDBM50152743
PNG
(CHEMBL3781308)
Show SMILES COc1ccccc1N1CCN(CC1C)c1ncnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C23H24N6O/c1-17-15-27(12-13-28(17)20-10-6-7-11-21(20)30-2)22-19-14-26-29(23(19)25-16-24-22)18-8-4-3-5-9-18/h3-11,14,16-17H,12-13,15H2,1-2H3
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n/an/a 14n/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
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
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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
Glucose transporter


(Homo sapiens (Human))
BDBM50155746
PNG
(CHEMBL3781151)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccc(F)cc1
Show InChI InChI=1S/C22H21FN6O/c1-30-20-5-3-2-4-19(20)27-10-12-28(13-11-27)21-18-14-26-29(22(18)25-15-24-21)17-8-6-16(23)7-9-17/h2-9,14-15H,10-13H2,1H3
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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
Glucose transporter


(Homo sapiens (Human))
BDBM50155670
PNG
(CHEMBL3780144)
Show SMILES COc1ccc(cc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1)C#N
Show InChI InChI=1S/C23H21N7O/c1-31-21-8-7-17(14-24)13-20(21)28-9-11-29(12-10-28)22-19-15-27-30(23(19)26-16-25-22)18-5-3-2-4-6-18/h2-8,13,15-16H,9-12H2,1H3
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n/an/a 20n/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
Solute carrier family 2, facilitated glucose transporter member 2


(Homo sapiens)
BDBM50152749
PNG
(CHEMBL3781913)
Show SMILES COc1ccccc1N1CCCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C23H24N6O/c1-30-21-11-6-5-10-20(21)27-12-7-13-28(15-14-27)22-19-16-26-29(23(19)25-17-24-22)18-8-3-2-4-9-18/h2-6,8-11,16-17H,7,12-15H2,1H3
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Reactome pathway
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n/an/a 21n/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))
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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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)


Article DOI: 10.1016/j.bmcl.2016.02.050
BindingDB Entry DOI: 10.7270/Q2639RM3
More data for this
Ligand-Target Pair
Glucose Transporter 1 (hGLUT1)


(Homo sapiens (Human))
BDBM50152776
PNG
(CHEMBL3780785)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(cnc12)-c1ccccc1
Show InChI InChI=1S/C22H22N6O/c1-29-19-10-6-5-9-18(19)26-11-13-27(14-12-26)21-20-22(24-15-23-21)28(16-25-20)17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3
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n/an/a 27n/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
Glucose transporter


(Homo sapiens (Human))
BDBM50155753
PNG
(CHEMBL3780470)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1cc(F)ccc1OC
Show InChI InChI=1S/C23H23FN6O2/c1-31-20-6-4-3-5-18(20)28-9-11-29(12-10-28)22-17-14-27-30(23(17)26-15-25-22)19-13-16(24)7-8-21(19)32-2/h3-8,13-15H,9-12H2,1-2H3
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n/an/a 30n/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
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
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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
Glucose Transporter 1 (hGLUT1)


(Homo sapiens (Human))
BDBM50152827
PNG
(CHEMBL3781741)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1cccc(F)c1
Show InChI InChI=1S/C22H21FN6O/c1-30-20-8-3-2-7-19(20)27-9-11-28(12-10-27)21-18-14-26-29(22(18)25-15-24-21)17-6-4-5-16(23)13-17/h2-8,13-15H,9-12H2,1H3
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n/an/a 35n/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
Solute carrier family 2, facilitated glucose transporter member 3


(Homo sapiens)
BDBM50155656
PNG
(CHEMBL3781331)
Show SMILES COc1ccc(cc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C23H23N7O2/c1-32-20-8-7-16(21(24)31)13-19(20)28-9-11-29(12-10-28)22-18-14-27-30(23(18)26-15-25-22)17-5-3-2-4-6-17/h2-8,13-15H,9-12H2,1H3,(H2,24,31)
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n/an/a 37n/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))
BDBM50155680
PNG
(CHEMBL3780717)
Show SMILES N#Cc1cccc(c1)N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C22H19N7/c23-14-17-5-4-8-19(13-17)27-9-11-28(12-10-27)21-20-15-26-29(22(20)25-16-24-21)18-6-2-1-3-7-18/h1-8,13,15-16H,9-12H2
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n/an/a 39n/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
Solute carrier family 2, facilitated glucose transporter member 3


(Homo sapiens)
BDBM50155673
PNG
(CHEMBL3780972)
Show SMILES COc1cc(F)ccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C22H21FN6O/c1-30-20-13-16(23)7-8-19(20)27-9-11-28(12-10-27)21-18-14-26-29(22(18)25-15-24-21)17-5-3-2-4-6-17/h2-8,13-15H,9-12H2,1H3
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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)


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 3


(Homo sapiens)
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
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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)


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))
BDBM50155752
PNG
(CHEMBL3780527)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)C1CCCC1
Show InChI InChI=1S/C21H26N6O/c1-28-19-9-5-4-8-18(19)25-10-12-26(13-11-25)20-17-14-24-27(16-6-2-3-7-16)21(17)23-15-22-20/h4-5,8-9,14-16H,2-3,6-7,10-13H2,1H3
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n/an/a 40n/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
Solute carrier family 2, facilitated glucose transporter member 3


(Homo sapiens)
BDBM50155746
PNG
(CHEMBL3781151)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccc(F)cc1
Show InChI InChI=1S/C22H21FN6O/c1-30-20-5-3-2-4-19(20)27-10-12-28(13-11-27)21-18-14-26-29(22(18)25-15-24-21)17-8-6-16(23)7-9-17/h2-9,14-15H,10-13H2,1H3
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n/an/a 46n/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 1 (hGLUT1)


(Homo sapiens (Human))
BDBM50152774
PNG
(CHEMBL3781384)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(nnc12)-c1ccccc1
Show InChI InChI=1S/C168H254N44O52/c1-17-89(10)137(165(260)188-93(14)144(239)197-118(72-99-75-180-104-38-25-24-37-102(99)104)155(250)199-114(68-86(4)5)156(251)208-135(87(6)7)163(258)196-106(40-26-29-58-169)146(241)181-77-125(221)189-107(42-32-61-179-168(174)175)150(245)191-105(140(173)235)39-28-31-60-177-128(224)83-264-66-65-263-64-62-178-124(220)57-63-212-129(225)52-53-130(212)226)210-157(252)116(69-96-33-20-18-21-34-96)200-152(247)112(50-56-133(231)232)195-151(246)108(41-27-30-59-170)192-142(237)91(12)185-141(236)90(11)187-149(244)111(47-51-123(172)219)190-126(222)78-182-148(243)110(49-55-132(229)230)194-153(248)113(67-85(2)3)198-154(249)115(71-98-43-45-101(218)46-44-98)201-160(255)120(80-213)204-162(257)122(82-215)205-164(259)136(88(8)9)209-159(254)119(74-134(233)234)202-161(256)121(81-214)206-167(262)139(95(16)217)211-158(253)117(70-97-35-22-19-23-36-97)203-166(261)138(94(15)216)207-127(223)79-183-147(242)109(48-54-131(227)228)193-143(238)92(13)186-145(240)103(171)73-100-76-176-84-184-100/h18-25,33-38,43-46,52-53,75-76,84-95,103,105-122,135-139,180,213-218H,17,26-32,39-42,47-51,54-74,77-83,169-171H2,1-16H3,(H2,172,219)(H2,173,235)(H,176,184)(H,177,224)(H,178,220)(H,181,241)(H,182,243)(H,183,242)(H,185,236)(H,186,240)(H,187,244)(H,188,260)(H,189,221)(H,190,222)(H,191,245)(H,192,237)(H,193,238)(H,194,248)(H,195,246)(H,196,258)(H,197,239)(H,198,249)(H,199,250)(H,200,247)(H,201,255)(H,202,256)(H,203,261)(H,204,257)(H,205,259)(H,206,262)(H,207,223)(H,208,251)(H,209,254)(H,210,252)(H,211,253)(H,227,228)(H,229,230)(H,231,232)(H,233,234)(H4,174,175,179)/t89-,90-,91-,92-,93-,94+,95+,103-,105?,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,135-,136-,137-,138-,139-/m0/s1
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n/an/a 49n/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
Glucose Transporter 1 (hGLUT1)


(Homo sapiens (Human))
BDBM50152825
PNG
(CHEMBL3780235)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1OC
Show InChI InChI=1S/C23H24N6O2/c1-30-20-9-5-3-7-18(20)27-11-13-28(14-12-27)22-17-15-26-29(23(17)25-16-24-22)19-8-4-6-10-21(19)31-2/h3-10,15-16H,11-14H2,1-2H3
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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
Solute carrier family 2, facilitated glucose transporter member 3


(Homo sapiens)
BDBM50155670
PNG
(CHEMBL3780144)
Show SMILES COc1ccc(cc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1)C#N
Show InChI InChI=1S/C23H21N7O/c1-31-21-8-7-17(14-24)13-20(21)28-9-11-29(12-10-28)22-19-15-27-30(23(19)26-16-25-22)18-5-3-2-4-6-18/h2-8,13,15-16H,9-12H2,1H3
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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))
BDBM50155745
PNG
(CHEMBL3780043)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1cccc(C)c1
Show InChI InChI=1S/C23H24N6O/c1-17-6-5-7-18(14-17)29-23-19(15-26-29)22(24-16-25-23)28-12-10-27(11-13-28)20-8-3-4-9-21(20)30-2/h3-9,14-16H,10-13H2,1-2H3
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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
Glucose Transporter 1 (hGLUT1)


(Homo sapiens (Human))
BDBM50152823
PNG
(CHEMBL3780054)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(-c3ccccc3)c(=O)[nH]c12
Show InChI InChI=1S/C22H22N6O2/c1-30-18-10-6-5-9-17(18)26-11-13-27(14-12-26)20-19-21(24-15-23-20)28(22(29)25-19)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,25,29)
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n/an/a 53n/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
Squalene synthetase


(Homo sapiens)
BDBM50344969
PNG
(CHEMBL1778340 | [(4R,6S)-8-Chloro-6-(2,3-dimethoxy...)
Show SMILES COc1cccc([C@H]2O[C@H](CC(O)=O)c3noc(C(C)C)c3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C24H24ClNO6/c1-12(2)22-20-14-9-8-13(25)10-16(14)23(15-6-5-7-17(29-3)24(15)30-4)31-18(11-19(27)28)21(20)26-32-22/h5-10,12,18,23H,11H2,1-4H3,(H,27,28)/t18-,23-/m1/s1
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n/an/a 56n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of recombinant squalene synthase assessed as conversion of trans,trans-[1-3H]farnesyl pyrophosphate to [3H]squalene after 10 mins by liqui...


Bioorg Med Chem Lett 21: 3648-53 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.092
BindingDB Entry DOI: 10.7270/Q2WW7J0X
More data for this
Ligand-Target Pair
Glucose transporter


(Homo sapiens (Human))
BDBM50155583
PNG
(CHEMBL3781835)
Show SMILES COc1cccnc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C21H21N7O/c1-29-18-8-5-9-22-21(18)27-12-10-26(11-13-27)19-17-14-25-28(20(17)24-15-23-19)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3
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n/an/a 60n/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
Solute carrier family 2, facilitated glucose transporter member 2


(Homo sapiens)
BDBM50155715
PNG
(CHEMBL3781149)
Show SMILES Oc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C26H28Br2ClN5O/c27-19-12-18-6-5-17-13-20(29)14-21(28)23(17)25(24(18)32-15-19)34-10-2-1-4-22(34)26(35)31-7-3-9-33-11-8-30-16-33/h8,11-16,22,25H,1-7,9-10H2,(H,31,35)/t22-,25?/m0/s1
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n/an/a 60n/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
Solute carrier family 2, facilitated glucose transporter member 3


(Homo sapiens)
BDBM50155715
PNG
(CHEMBL3781149)
Show SMILES Oc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C26H28Br2ClN5O/c27-19-12-18-6-5-17-13-20(29)14-21(28)23(17)25(24(18)32-15-19)34-10-2-1-4-22(34)26(35)31-7-3-9-33-11-8-30-16-33/h8,11-16,22,25H,1-7,9-10H2,(H,31,35)/t22-,25?/m0/s1
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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 3


(Homo sapiens)
BDBM50155585
PNG
(CHEMBL3780372)
Show SMILES COc1ccncc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C21H21N7O/c1-29-19-7-8-22-14-18(19)26-9-11-27(12-10-26)20-17-13-25-28(21(17)24-15-23-20)16-5-3-2-4-6-16/h2-8,13-15H,9-12H2,1H3
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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 3


(Homo sapiens)
BDBM50152776
PNG
(CHEMBL3780785)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(cnc12)-c1ccccc1
Show InChI InChI=1S/C22H22N6O/c1-29-19-10-6-5-9-18(19)26-11-13-27(14-12-26)21-20-22(24-15-23-21)28(16-25-20)17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3
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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 3


(Homo sapiens)
BDBM50155680
PNG
(CHEMBL3780717)
Show SMILES N#Cc1cccc(c1)N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C22H19N7/c23-14-17-5-4-8-19(13-17)27-9-11-28(12-10-27)21-20-15-26-29(22(20)25-16-24-21)18-6-2-1-3-7-18/h1-8,13,15-16H,9-12H2
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n/an/a 69n/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 3


(Homo sapiens)
BDBM50155583
PNG
(CHEMBL3781835)
Show SMILES COc1cccnc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C21H21N7O/c1-29-18-8-5-9-22-21(18)27-12-10-26(11-13-27)19-17-14-25-28(20(17)24-15-23-19)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3
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n/an/a 70n/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))
BDBM50155748
PNG
(CHEMBL3781535)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ncccc1F
Show InChI InChI=1S/C21H20FN7O/c1-30-18-7-3-2-6-17(18)27-9-11-28(12-10-27)19-15-13-26-29(20(15)25-14-24-19)21-16(22)5-4-8-23-21/h2-8,13-14H,9-12H2,1H3
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n/an/a 80n/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
Solute carrier family 2, facilitated glucose transporter member 3


(Homo sapiens)
BDBM50155751
PNG
(CHEMBL3780460)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C22H20F2N6O/c1-31-20-5-3-2-4-19(20)28-6-8-29(9-7-28)21-18-13-27-30(22(18)26-14-25-21)17-11-15(23)10-16(24)12-17/h2-5,10-14H,6-9H2,1H3
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n/an/a 90n/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 3


(Homo sapiens)
BDBM50155745
PNG
(CHEMBL3780043)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1cccc(C)c1
Show InChI InChI=1S/C23H24N6O/c1-17-6-5-7-18(14-17)29-23-19(15-26-29)22(24-16-25-23)28-12-10-27(11-13-28)20-8-3-4-9-21(20)30-2/h3-9,14-16H,10-13H2,1-2H3
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n/an/a 96n/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)
BDBM50155656
PNG
(CHEMBL3781331)
Show SMILES COc1ccc(cc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C23H23N7O2/c1-32-20-8-7-16(21(24)31)13-19(20)28-9-11-29(12-10-28)22-18-14-27-30(23(18)26-15-25-22)17-5-3-2-4-6-17/h2-8,13-15H,9-12H2,1H3,(H2,24,31)
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n/an/a 100n/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))
BDBM50155750
PNG
(CHEMBL3780595)
Show SMILES COc1ccc(cn1)-n1ncc2c(ncnc12)N1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C22H23N7O2/c1-30-19-6-4-3-5-18(19)27-9-11-28(12-10-27)21-17-14-26-29(22(17)25-15-24-21)16-7-8-20(31-2)23-13-16/h3-8,13-15H,9-12H2,1-2H3
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n/an/a 100n/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
Glucose transporter


(Homo sapiens (Human))
BDBM50155591
PNG
(CHEMBL3781654)
Show SMILES COc1cccc(F)c1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C22H21FN6O/c1-30-19-9-5-8-18(23)20(19)27-10-12-28(13-11-27)21-17-14-26-29(22(17)25-15-24-21)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3
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n/an/a 110n/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
Solute carrier family 2, facilitated glucose transporter member 3


(Homo sapiens)
BDBM50152825
PNG
(CHEMBL3780235)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1OC
Show InChI InChI=1S/C23H24N6O2/c1-30-20-9-5-3-7-18(20)27-11-13-28(14-12-27)22-17-15-26-29(23(17)25-16-24-22)19-8-4-6-10-21(19)31-2/h3-10,15-16H,11-14H2,1-2H3
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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
Squalene synthetase


(Homo sapiens)
BDBM50344972
PNG
(1-{2-[(4R,6S)-8-Chloro-6-(2,3-dimethoxy-phenyl)-1-...)
Show SMILES COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(CC3)C(O)=O)c3noc(C(C)C)c3-c3ccc(Cl)cc23)c1OC
Show InChI InChI=1S/C30H33ClN2O7/c1-16(2)27-25-19-9-8-18(31)14-21(19)28(20-6-5-7-22(37-3)29(20)38-4)39-23(26(25)32-40-27)15-24(34)33-12-10-17(11-13-33)30(35)36/h5-9,14,16-17,23,28H,10-13,15H2,1-4H3,(H,35,36)/t23-,28-/m1/s1
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n/an/a 112n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of recombinant squalene synthase assessed as conversion of trans,trans-[1-3H]farnesyl pyrophosphate to [3H]squalene after 10 mins by liqui...


Bioorg Med Chem Lett 21: 3648-53 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.092
BindingDB Entry DOI: 10.7270/Q2WW7J0X
More data for this
Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 3


(Homo sapiens)
BDBM50155752
PNG
(CHEMBL3780527)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)C1CCCC1
Show InChI InChI=1S/C21H26N6O/c1-28-19-9-5-4-8-18(19)25-10-12-26(13-11-25)20-17-14-24-27(16-6-2-3-7-16)21(17)23-15-22-20/h4-5,8-9,14-16H,2-3,6-7,10-13H2,1H3
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n/an/a 120n/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 3


(Homo sapiens)
BDBM50152827
PNG
(CHEMBL3781741)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1cccc(F)c1
Show InChI InChI=1S/C22H21FN6O/c1-30-20-8-3-2-7-19(20)27-9-11-28(12-10-27)21-18-14-26-29(22(18)25-15-24-21)17-6-4-5-16(23)13-17/h2-8,13-15H,9-12H2,1H3
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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
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