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88 similar compounds to monomer 50240561

Compile data set for download or QSAR
Wt: 419.4
BDBM23617
Purchase
Wt: 408.8
BDBM50366950
Wt: 453.3
BDBM50366952
Wt: 392.4
BDBM50366948
Wt: 408.8
BDBM50366956
Wt: 500.3
BDBM50366946
Wt: 374.4
BDBM50159129
Purchase
Wt: 478.4
BDBM50222739
Wt: 462.4
BDBM50222741
Wt: 448.4
BDBM50222742
Wt: 434.4
BDBM50222744
Purchase
Wt: 545.3
BDBM50222745
Wt: 490.5
BDBM50222746
Wt: 437.4
BDBM50222749
Wt: 504.5
BDBM50222750
Displayed 1 to 15 (of 76 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 23617,50366950,50366952,50366948,50366956,50366946,50159129,50222739,50222741,50222742,50222744,50222745,50222746,50222749,50222750   
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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM23617
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophe...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C17H17N5O6S/c23-5-11-13(24)14(25)17(28-11)21-8-20-12-15(21)18-7-19-16(12)29-6-9-1-3-10(4-2-9)22(26)27/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17-/m1/s1
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PubMed
0.430 -12.6 7.60n/an/an/an/a7.422



University of Tennessee Health Science Center



Assay Description
The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...


J Med Chem 50: 3906-20 (2007)


Article DOI: 10.1021/jm070311l
BindingDB Entry DOI: 10.7270/Q2XK8CVN
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM23617
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophe...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C17H17N5O6S/c23-5-11-13(24)14(25)17(28-11)21-8-20-12-15(21)18-7-19-16(12)29-6-9-1-3-10(4-2-9)22(26)27/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Displacement of 5-(SAENTA)-X8-fluorescein from human ENT1 transporter in human K562 cells


Bioorg Med Chem 16: 3848-65 (2008)


Article DOI: 10.1016/j.bmc.2008.01.044
BindingDB Entry DOI: 10.7270/Q2GM8866
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM23617
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophe...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C17H17N5O6S/c23-5-11-13(24)14(25)17(28-11)21-8-20-12-15(21)18-7-19-16(12)29-6-9-1-3-10(4-2-9)22(26)27/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of 5-(SAENTA)-X8-fluorescein from K562 cell nucleoside transporter


Bioorg Med Chem Lett 14: 2257-60 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.016
BindingDB Entry DOI: 10.7270/Q2NK3FKH
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM23617
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophe...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C17H17N5O6S/c23-5-11-13(24)14(25)17(28-11)21-8-20-12-15(21)18-7-19-16(12)29-6-9-1-3-10(4-2-9)22(26)27/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17-/m1/s1
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PubMed
0.700n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Binding affinity to human ENT1 assessed as [3H]uridine uptake by flow cytometry


Bioorg Med Chem Lett 19: 917-21 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.112
BindingDB Entry DOI: 10.7270/Q2K07440
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM23617
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophe...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C17H17N5O6S/c23-5-11-13(24)14(25)17(28-11)21-8-20-12-15(21)18-7-19-16(12)29-6-9-1-3-10(4-2-9)22(26)27/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Nucleoside transporter es-type by facile competitive binding flow cytometric assay using the human K562 chronic ...


J Med Chem 46: 831-7 (2003)


Article DOI: 10.1021/jm020405p
BindingDB Entry DOI: 10.7270/Q21R6R8G
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM23617
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophe...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C17H17N5O6S/c23-5-11-13(24)14(25)17(28-11)21-8-20-12-15(21)18-7-19-16(12)29-6-9-1-3-10(4-2-9)22(26)27/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of SAENTA-fluorescein from human ENT1 in K562 cells after 45 mins by flow cytometry


Bioorg Med Chem 15: 7726-37 (2007)


Article DOI: 10.1016/j.bmc.2007.08.058
BindingDB Entry DOI: 10.7270/Q26Q1WZD
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM23617
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophe...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C17H17N5O6S/c23-5-11-13(24)14(25)17(28-11)21-8-20-12-15(21)18-7-19-16(12)29-6-9-1-3-10(4-2-9)22(26)27/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17-/m1/s1
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PubMed
0.708n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of human ENT1


Bioorg Med Chem Lett 19: 314-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.092
BindingDB Entry DOI: 10.7270/Q2H996F3
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50222744
PNG
((2R,3R,4S,5R)-2-(6-(4-nitrobenzylthio)-2-amino-9H-...)
Show SMILES Nc1nc(SCc2ccc(cc2)[N+]([O-])=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C17H18N6O6S/c18-17-20-14-11(19-7-22(14)16-13(26)12(25)10(5-24)29-16)15(21-17)30-6-8-1-3-9(4-2-8)23(27)28/h1-4,7,10,12-13,16,24-26H,5-6H2,(H2,18,20,21)/t10-,12-,13-,16-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of SAENTA-fluorescein from human ENT1 in K562 cells after 45 mins by flow cytometry


Bioorg Med Chem 15: 7726-37 (2007)


Article DOI: 10.1016/j.bmc.2007.08.058
BindingDB Entry DOI: 10.7270/Q26Q1WZD
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50222749
PNG
(2-fluoro-6-(4-nitrobenzylthio)-9-beta-D-ribofurano...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)nc(F)nc12
Show InChI InChI=1S/C17H16FN5O6S/c18-17-20-14-11(19-7-22(14)16-13(26)12(25)10(5-24)29-16)15(21-17)30-6-8-1-3-9(4-2-8)23(27)28/h1-4,7,10,12-13,16,24-26H,5-6H2/t10-,12-,13-,16-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of SAENTA-fluorescein from human ENT1 in K562 cells after 45 mins by flow cytometry


Bioorg Med Chem 15: 7726-37 (2007)


Article DOI: 10.1016/j.bmc.2007.08.058
BindingDB Entry DOI: 10.7270/Q26Q1WZD
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50366948
PNG
(BDBM50413727 | CHEMBL517945 | CHEMBL611842)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3cccc(F)c3)ncnc12
Show InChI InChI=1S/C17H17FN4O4S/c18-10-3-1-2-9(4-10)6-27-16-12-15(19-7-20-16)22(8-21-12)17-14(25)13(24)11(5-23)26-17/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17?/m1/s1
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11n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of 5-(SAENTA)-X8-fluorescein from K562 cell nucleoside transporter


Bioorg Med Chem Lett 14: 2257-60 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.016
BindingDB Entry DOI: 10.7270/Q2NK3FKH
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50222745
PNG
(2-iodo-6-(4-nitrobenzylthio)-9-beta-D-ribofuranosy...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)nc(I)nc12
Show InChI InChI=1S/C17H16IN5O6S/c18-17-20-14-11(19-7-22(14)16-13(26)12(25)10(5-24)29-16)15(21-17)30-6-8-1-3-9(4-2-8)23(27)28/h1-4,7,10,12-13,16,24-26H,5-6H2/t10-,12-,13-,16-/m1/s1
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11n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of SAENTA-fluorescein from human ENT1 in K562 cells after 45 mins by flow cytometry


Bioorg Med Chem 15: 7726-37 (2007)


Article DOI: 10.1016/j.bmc.2007.08.058
BindingDB Entry DOI: 10.7270/Q26Q1WZD
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50366948
PNG
(BDBM50413727 | CHEMBL517945 | CHEMBL611842)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3cccc(F)c3)ncnc12
Show InChI InChI=1S/C17H17FN4O4S/c18-10-3-1-2-9(4-10)6-27-16-12-15(19-7-20-16)22(8-21-12)17-14(25)13(24)11(5-23)26-17/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17?/m1/s1
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12.9n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of human ENT1


Bioorg Med Chem Lett 19: 314-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.092
BindingDB Entry DOI: 10.7270/Q2H996F3
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50366946
PNG
(BDBM50413736 | CHEMBL473492 | CHEMBL610938)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C17H17IN4O4S/c18-10-3-1-2-9(4-10)6-27-16-12-15(19-7-20-16)22(8-21-12)17-14(25)13(24)11(5-23)26-17/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17?/m1/s1
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13.8n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of human ENT1


Bioorg Med Chem Lett 19: 314-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.092
BindingDB Entry DOI: 10.7270/Q2H996F3
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50366946
PNG
(BDBM50413736 | CHEMBL473492 | CHEMBL610938)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C17H17IN4O4S/c18-10-3-1-2-9(4-10)6-27-16-12-15(19-7-20-16)22(8-21-12)17-14(25)13(24)11(5-23)26-17/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17?/m1/s1
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14n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of 5-(SAENTA)-X8-fluorescein from K562 cell nucleoside transporter


Bioorg Med Chem Lett 14: 2257-60 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.016
BindingDB Entry DOI: 10.7270/Q2NK3FKH
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50366956
PNG
(BDBM50413730 | CHEMBL464810 | CHEMBL610940)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3cccc(Cl)c3)ncnc12
Show InChI InChI=1S/C17H17ClN4O4S/c18-10-3-1-2-9(4-10)6-27-16-12-15(19-7-20-16)22(8-21-12)17-14(25)13(24)11(5-23)26-17/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17?/m1/s1
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16n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of 5-(SAENTA)-X8-fluorescein from K562 cell nucleoside transporter


Bioorg Med Chem Lett 14: 2257-60 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.016
BindingDB Entry DOI: 10.7270/Q2NK3FKH
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50366956
PNG
(BDBM50413730 | CHEMBL464810 | CHEMBL610940)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3cccc(Cl)c3)ncnc12
Show InChI InChI=1S/C17H17ClN4O4S/c18-10-3-1-2-9(4-10)6-27-16-12-15(19-7-20-16)22(8-21-12)17-14(25)13(24)11(5-23)26-17/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17?/m1/s1
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18.2n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of human ENT1


Bioorg Med Chem Lett 19: 314-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.092
BindingDB Entry DOI: 10.7270/Q2H996F3
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50222742
PNG
(2-methylamino-6-(4-nitrobenzylthio)-9-beta-D-ribof...)
Show SMILES CNc1nc(SCc2ccc(cc2)[N+]([O-])=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C18H20N6O6S/c1-19-18-21-15-12(20-8-23(15)17-14(27)13(26)11(6-25)30-17)16(22-18)31-7-9-2-4-10(5-3-9)24(28)29/h2-5,8,11,13-14,17,25-27H,6-7H2,1H3,(H,19,21,22)/t11-,13-,14-,17-/m1/s1
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24n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of SAENTA-fluorescein from human ENT1 in K562 cells after 45 mins by flow cytometry


Bioorg Med Chem 15: 7726-37 (2007)


Article DOI: 10.1016/j.bmc.2007.08.058
BindingDB Entry DOI: 10.7270/Q26Q1WZD
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50222741
PNG
(2-ethylamino-6-(4-nitrobenzylthio)-9-beta-D-ribofu...)
Show SMILES CCNc1nc(SCc2ccc(cc2)[N+]([O-])=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C19H22N6O6S/c1-2-20-19-22-16-13(21-9-24(16)18-15(28)14(27)12(7-26)31-18)17(23-19)32-8-10-3-5-11(6-4-10)25(29)30/h3-6,9,12,14-15,18,26-28H,2,7-8H2,1H3,(H,20,22,23)/t12-,14-,15-,18-/m1/s1
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24n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of SAENTA-fluorescein from human ENT1 in K562 cells after 45 mins by flow cytometry


Bioorg Med Chem 15: 7726-37 (2007)


Article DOI: 10.1016/j.bmc.2007.08.058
BindingDB Entry DOI: 10.7270/Q26Q1WZD
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50222739
PNG
(2-monoethanolamino-6-(4-nitrobenzylthio)-9-beta-D-...)
Show SMILES OCCNc1nc(SCc2ccc(cc2)[N+]([O-])=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C19H22N6O7S/c26-6-5-20-19-22-16-13(21-9-24(16)18-15(29)14(28)12(7-27)32-18)17(23-19)33-8-10-1-3-11(4-2-10)25(30)31/h1-4,9,12,14-15,18,26-29H,5-8H2,(H,20,22,23)/t12-,14-,15-,18-/m1/s1
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86n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of SAENTA-fluorescein from human ENT1 in K562 cells after 45 mins by flow cytometry


Bioorg Med Chem 15: 7726-37 (2007)


Article DOI: 10.1016/j.bmc.2007.08.058
BindingDB Entry DOI: 10.7270/Q26Q1WZD
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50366950
PNG
(BDBM50413729 | CHEMBL292374 | CHEMBL608593)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccccc3Cl)ncnc12
Show InChI InChI=1S/C17H17ClN4O4S/c18-10-4-2-1-3-9(10)6-27-16-12-15(19-7-20-16)22(8-21-12)17-14(25)13(24)11(5-23)26-17/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17?/m1/s1
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99n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of 5-(SAENTA)-X8-fluorescein from K562 cell nucleoside transporter


Bioorg Med Chem Lett 14: 2257-60 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.016
BindingDB Entry DOI: 10.7270/Q2NK3FKH
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50366950
PNG
(BDBM50413729 | CHEMBL292374 | CHEMBL608593)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccccc3Cl)ncnc12
Show InChI InChI=1S/C17H17ClN4O4S/c18-10-4-2-1-3-9(10)6-27-16-12-15(19-7-20-16)22(8-21-12)17-14(25)13(24)11(5-23)26-17/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17?/m1/s1
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117n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of human ENT1


Bioorg Med Chem Lett 19: 314-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.092
BindingDB Entry DOI: 10.7270/Q2H996F3
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50366952
PNG
(BDBM50413732 | CHEMBL475103 | CHEMBL611240)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccccc3Br)ncnc12
Show InChI InChI=1S/C17H17BrN4O4S/c18-10-4-2-1-3-9(10)6-27-16-12-15(19-7-20-16)22(8-21-12)17-14(25)13(24)11(5-23)26-17/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17?/m1/s1
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134n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of 5-(SAENTA)-X8-fluorescein from K562 cell nucleoside transporter


Bioorg Med Chem Lett 14: 2257-60 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.016
BindingDB Entry DOI: 10.7270/Q2NK3FKH
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50366952
PNG
(BDBM50413732 | CHEMBL475103 | CHEMBL611240)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccccc3Br)ncnc12
Show InChI InChI=1S/C17H17BrN4O4S/c18-10-4-2-1-3-9(10)6-27-16-12-15(19-7-20-16)22(8-21-12)17-14(25)13(24)11(5-23)26-17/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17?/m1/s1
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151n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of human ENT1


Bioorg Med Chem Lett 19: 314-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.092
BindingDB Entry DOI: 10.7270/Q2H996F3
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50222746
PNG
(2-butylamino-6-(4-nitrobenzylthio)-9-beta-D-ribofu...)
Show SMILES CCCCNc1nc(SCc2ccc(cc2)[N+]([O-])=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C21H26N6O6S/c1-2-3-8-22-21-24-18-15(23-11-26(18)20-17(30)16(29)14(9-28)33-20)19(25-21)34-10-12-4-6-13(7-5-12)27(31)32/h4-7,11,14,16-17,20,28-30H,2-3,8-10H2,1H3,(H,22,24,25)/t14-,16-,17-,20-/m1/s1
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325n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of SAENTA-fluorescein from human ENT1 in K562 cells after 45 mins by flow cytometry


Bioorg Med Chem 15: 7726-37 (2007)


Article DOI: 10.1016/j.bmc.2007.08.058
BindingDB Entry DOI: 10.7270/Q26Q1WZD
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50222750
PNG
(2-pentylamino-6-(4-nitrobenzylthio)-9-beta-D-ribof...)
Show SMILES CCCCCNc1nc(SCc2ccc(cc2)[N+]([O-])=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C22H28N6O6S/c1-2-3-4-9-23-22-25-19-16(24-12-27(19)21-18(31)17(30)15(10-29)34-21)20(26-22)35-11-13-5-7-14(8-6-13)28(32)33/h5-8,12,15,17-18,21,29-31H,2-4,9-11H2,1H3,(H,23,25,26)/t15-,17-,18-,21-/m1/s1
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357n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of SAENTA-fluorescein from human ENT1 in K562 cells after 45 mins by flow cytometry


Bioorg Med Chem 15: 7726-37 (2007)


Article DOI: 10.1016/j.bmc.2007.08.058
BindingDB Entry DOI: 10.7270/Q26Q1WZD
More data for this
Ligand-Target Pair
Solute carrier family 28 member 3


(Homo sapiens (Human))
BDBM23617
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophe...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C17H17N5O6S/c23-5-11-13(24)14(25)17(28-11)21-8-20-12-15(21)18-7-19-16(12)29-6-9-1-3-10(4-2-9)22(26)27/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17-/m1/s1
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8.81E+4n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CNT3 expressed in pig PK15NTD cells assessed as [3H]uridine uptake by beta-scintillation counter


Bioorg Med Chem Lett 19: 917-21 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.112
BindingDB Entry DOI: 10.7270/Q2K07440
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50222744
PNG
((2R,3R,4S,5R)-2-(6-(4-nitrobenzylthio)-2-amino-9H-...)
Show SMILES Nc1nc(SCc2ccc(cc2)[N+]([O-])=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C17H18N6O6S/c18-17-20-14-11(19-7-22(14)16-13(26)12(25)10(5-24)29-16)15(21-17)30-6-8-1-3-9(4-2-8)23(27)28/h1-4,7,10,12-13,16,24-26H,5-6H2,(H2,18,20,21)/t10-,12-,13-,16-/m1/s1
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n/an/a 21.4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to ENT1 transporter


Bioorg Med Chem 16: 3848-65 (2008)


Article DOI: 10.1016/j.bmc.2008.01.044
BindingDB Entry DOI: 10.7270/Q2GM8866
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM23617
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophe...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C17H17N5O6S/c23-5-11-13(24)14(25)17(28-11)21-8-20-12-15(21)18-7-19-16(12)29-6-9-1-3-10(4-2-9)22(26)27/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17-/m1/s1
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n/an/a 8.51n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to ENT1 transporter


Bioorg Med Chem 16: 3848-65 (2008)


Article DOI: 10.1016/j.bmc.2008.01.044
BindingDB Entry DOI: 10.7270/Q2GM8866
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM23617
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophe...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C17H17N5O6S/c23-5-11-13(24)14(25)17(28-11)21-8-20-12-15(21)18-7-19-16(12)29-6-9-1-3-10(4-2-9)22(26)27/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
Probable global transcription activator SNF2L2


(Homo sapiens (Human))
BDBM50159129
PNG
(2-Hydroxymethyl-5-[6-(4-nitro-benzylsulfanyl)-puri...)
Show SMILES OCC1OC(C(O)C1O)n1cnc2c(SCc3ccccc3)ncnc12
Show InChI InChI=1S/C17H18N4O4S/c22-6-11-13(23)14(24)17(25-11)21-9-20-12-15(21)18-8-19-16(12)26-7-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,22-24H,6-7H2
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n/an/an/an/a 9.13E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GF0S4R
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 4


(Homo sapiens (Human))
BDBM23617
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophe...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C17H17N5O6S/c23-5-11-13(24)14(25)17(28-11)21-8-20-12-15(21)18-7-19-16(12)29-6-9-1-3-10(4-2-9)22(26)27/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17-/m1/s1
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n/an/a 7.50E+4n/an/an/an/an/an/a



The Netherlands Cancer Institute

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of 9-(2-phosphonomethoxyethyl)adenine(PMEA) efflux (PMEA: 1 uM) in MRP4-expressing HEK293 cells


Mol Pharmacol 63: 1094-103 (2003)


Article DOI: 10.1124/mol.63.5.1094
BindingDB Entry DOI: 10.7270/Q2KH0PMD
More data for this
Ligand-Target Pair