Found 909 hits with Last Name = 'buolamwini' and Initial = 'jk' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Equilibrative nucleoside transporter 1
(Homo sapiens (Human)) | BDBM23617
((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 | PDB
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Article
PubMed
| 0.430 | -52.9 | 7.60 | n/a | n/a | n/a | n/a | 7.4 | 22 |
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 | 
3D Structure (crystal) |
Equilibrative nucleoside transporter 1
(Homo sapiens (Human)) | BDBM50376975
(CHEMBL260570)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCc2ccc(cc2C1)[N+]([O-])=O Show InChI InChI=1S/C19H20N6O6/c26-7-13-15(27)16(28)19(31-13)24-9-22-14-17(20-8-21-18(14)24)23-4-3-10-1-2-12(25(29)30)5-11(10)6-23/h1-2,5,8-9,13,15-16,19,26-28H,3-4,6-7H2/t13-,15-,16-,19-/m1/s1 | PDB
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| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50370291
(CHEMBL608208)Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCc2ccc(cc2C1)[N+]([O-])=O |r| Show InChI InChI=1S/C19H20N6O6/c26-7-13-15(27)16(28)19(31-13)24-9-22-14-17(20-8-21-18(14)24)23-4-3-10-1-2-12(25(29)30)5-11(10)6-23/h1-2,5,8-9,13,15-16,19,26-28H,3-4,6-7H2/t13-,15-,16-,19?/m1/s1 | PDB
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| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM23631
(2-{[4,8-bis(azocan-1-yl)-6-[bis(2-hydroxyethyl)ami...)Show SMILES OCCN(CCO)c1nc(N2CCCCCCC2)c2nc(nc(N3CCCCCCC3)c2n1)N(CCO)CCO Show InChI InChI=1S/C28H48N8O4/c37-19-15-35(16-20-38)27-30-24-23(25(31-27)33-11-7-3-1-4-8-12-33)29-28(36(17-21-39)18-22-40)32-26(24)34-13-9-5-2-6-10-14-34/h37-40H,1-22H2 | PDB
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| 0.490 | -52.6 | 8.67 | n/a | n/a | n/a | n/a | 7.4 | 22 |
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
(Homo sapiens (Human)) | BDBM23617
((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 | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |
3D Structure (crystal) |
Equilibrative nucleoside transporter 1
(Homo sapiens (Human)) | BDBM23617
((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 | PDB
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| PDB
Article
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |
3D Structure (crystal) |
Equilibrative nucleoside transporter 1
(Homo sapiens (Human)) | BDBM23617
((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 | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |
3D Structure (crystal) |
Equilibrative nucleoside transporter 1
(Homo sapiens (Human)) | BDBM23617
((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 | PDB
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| PDB
Article
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |
3D Structure (crystal) |
Equilibrative nucleoside transporter 1
(Homo sapiens (Human)) | BDBM23617
((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 | PDB
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| PDB
Article
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |
3D Structure (crystal) |
Equilibrative nucleoside transporter 1
(Homo sapiens (Human)) | BDBM23617
((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 | PDB
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| 0.708 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |
3D Structure (crystal) |
Equilibrative nucleoside transporter 1
(Homo sapiens (Human)) | BDBM23633
(2-{[4,8-bis(azonan-1-yl)-6-[bis(2-hydroxyethyl)ami...)Show SMILES OCCN(CCO)c1nc(N2CCCCCCCC2)c2nc(nc(N3CCCCCCCC3)c2n1)N(CCO)CCO Show InChI InChI=1S/C30H52N8O4/c39-21-17-37(18-22-40)29-32-26-25(27(33-29)35-13-9-5-1-2-6-10-14-35)31-30(38(19-23-41)20-24-42)34-28(26)36-15-11-7-3-4-8-12-16-36/h39-42H,1-24H2 | PDB
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| 0.770 | -51.5 | 13.6 | n/a | n/a | n/a | n/a | 7.4 | 22 |
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
(Homo sapiens (Human)) | BDBM23629
(2-{[4,8-bis(azepan-1-yl)-6-[bis(2-hydroxyethyl)ami...)Show SMILES OCCN(CCO)c1nc(N2CCCCCC2)c2nc(nc(N3CCCCCC3)c2n1)N(CCO)CCO Show InChI InChI=1S/C26H44N8O4/c35-17-13-33(14-18-36)25-28-22-21(23(29-25)31-9-5-1-2-6-10-31)27-26(34(15-19-37)16-20-38)30-24(22)32-11-7-3-4-8-12-32/h35-38H,1-20H2 | PDB
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| 0.860 | -51.2 | 15.2 | n/a | n/a | n/a | n/a | 7.4 | 22 |
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
(Homo sapiens (Human)) | BDBM50222744
((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 | PDB
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50413751
(CHEMBL61773)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3cccc(c3)[N+]([O-])=O)ncnc12 |r| 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)29-6-9-2-1-3-10(4-9)22(26)27/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17-/m1/s1 | PDB
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| 1.78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50222749
(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 | PDB
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| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50366947
(BDBM50413737 | CHEMBL512162 | CHEMBL610941)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(I)cc3)ncnc12 |r| Show InChI InChI=1S/C17H17IN4O4S/c18-10-3-1-9(2-4-10)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 | PDB
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| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50366947
(BDBM50413737 | CHEMBL512162 | CHEMBL610941)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(I)cc3)ncnc12 |r| Show InChI InChI=1S/C17H17IN4O4S/c18-10-3-1-9(2-4-10)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 | PDB
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| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM23697
(2-({6-[(2-hydroxyethyl)[2-(propan-2-yloxy)ethyl]am...)Show SMILES CC(C)OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCOC(C)C Show InChI InChI=1S/C30H52N8O4/c1-23(2)41-21-17-37(15-19-39)29-31-25-26(27(33-29)35-11-7-5-8-12-35)32-30(34-28(25)36-13-9-6-10-14-36)38(16-20-40)18-22-42-24(3)4/h23-24,39-40H,5-22H2,1-4H3 | PDB
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| 4.30 | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
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
(Homo sapiens (Human)) | BDBM50413747
(CHEMBL61741)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(Cl)cc3Cl)ncnc12 |r| Show InChI InChI=1S/C17H16Cl2N4O4S/c18-9-2-1-8(10(19)3-9)5-28-16-12-15(20-6-21-16)23(7-22-12)17-14(26)13(25)11(4-24)27-17/h1-3,6-7,11,13-14,17,24-26H,4-5H2/t11-,13-,14-,17-/m1/s1 | PDB
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| 4.37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50413740
(CHEMBL61915)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)C#N)ncnc12 |r| Show InChI InChI=1S/C18H17N5O4S/c19-5-10-1-3-11(4-2-10)7-28-17-13-16(20-8-21-17)23(9-22-13)18-15(26)14(25)12(6-24)27-18/h1-4,8-9,12,14-15,18,24-26H,6-7H2/t12-,14-,15-,18-/m1/s1 | PDB
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| 4.57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50413744
(CHEMBL432688)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(OC(F)(F)F)cc3)ncnc12 |r| Show InChI InChI=1S/C18H17F3N4O5S/c19-18(20,21)30-10-3-1-9(2-4-10)6-31-16-12-15(22-7-23-16)25(8-24-12)17-14(28)13(27)11(5-26)29-17/h1-4,7-8,11,13-14,17,26-28H,5-6H2/t11-,13-,14-,17-/m1/s1 | PDB
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| 7.08 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM23620
(2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(piperidin...)Show SMILES OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO Show InChI InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2 | PDB
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| 8.18 | -45.7 | 145 | n/a | n/a | n/a | n/a | 7.4 | 22 |
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
(Homo sapiens (Human)) | BDBM23692
(Dipyridamole Analogue, 74 | {2-[(6-{bis[2-(formylo...)Show SMILES O=COCCN(CCOC=O)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCOC=O)CCOC=O Show InChI InChI=1S/C28H40N8O8/c37-19-41-15-11-35(12-16-42-20-38)27-30-24-23(25(31-27)33-7-3-1-4-8-33)29-28(32-26(24)34-9-5-2-6-10-34)36(13-17-43-21-39)14-18-44-22-40/h19-22H,1-18H2 | PDB
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| 8.20 | n/a | 145 | n/a | n/a | n/a | n/a | n/a | n/a |
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
(Homo sapiens (Human)) | BDBM23620
(2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(piperidin...)Show SMILES OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO Show InChI InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2 | PDB
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| 8.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50366949
(BDBM50413728 | CHEMBL418496 | CHEMBL611841)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(F)cc3)ncnc12 |r| Show InChI InChI=1S/C17H17FN4O4S/c18-10-3-1-9(2-4-10)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 | PDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50366949
(BDBM50413728 | CHEMBL418496 | CHEMBL611841)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(F)cc3)ncnc12 |r| Show InChI InChI=1S/C17H17FN4O4S/c18-10-3-1-9(2-4-10)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 | PDB
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| 9.12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50366954
(BDBM50413734 | CHEMBL430946 | CHEMBL608592)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(Br)cc3)ncnc12 |r| Show InChI InChI=1S/C17H17BrN4O4S/c18-10-3-1-9(2-4-10)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 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50366948
(BDBM50413727 | CHEMBL517945 | CHEMBL611842)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3cccc(F)c3)ncnc12 |r| 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 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50222755
(2-bromo-6-(4-nitrobenzylthio)-9-beta-D-ribofuranos...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)nc(Br)nc12 Show InChI InChI=1S/C17H16BrN5O6S/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 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50222756
(2-chloro-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(Cl)nc12 Show InChI InChI=1S/C17H16ClN5O6S/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 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50222745
(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 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50366954
(BDBM50413734 | CHEMBL430946 | CHEMBL608592)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(Br)cc3)ncnc12 |r| Show InChI InChI=1S/C17H17BrN4O4S/c18-10-3-1-9(2-4-10)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 | PDB
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| 11.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50413748
(CHEMBL58072)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(Cl)c(Cl)c3)ncnc12 |r| Show InChI InChI=1S/C17H16Cl2N4O4S/c18-9-2-1-8(3-10(9)19)5-28-16-12-15(20-6-21-16)23(7-22-12)17-14(26)13(25)11(4-24)27-17/h1-3,6-7,11,13-14,17,24-26H,4-5H2/t11-,13-,14-,17-/m1/s1 | PDB
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| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50366948
(BDBM50413727 | CHEMBL517945 | CHEMBL611842)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3cccc(F)c3)ncnc12 |r| 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 | PDB
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| 12.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50366946
(BDBM50413736 | CHEMBL473492 | CHEMBL610938)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3cccc(I)c3)ncnc12 |r| 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 | PDB
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| Article
PubMed
| 13.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50366955
(BDBM50413731 | CHEMBL610357 | CHEMBL61387)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(Cl)cc3)ncnc12 |r| Show InChI InChI=1S/C17H17ClN4O4S/c18-10-3-1-9(2-4-10)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 | PDB
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PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50366946
(BDBM50413736 | CHEMBL473492 | CHEMBL610938)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3cccc(I)c3)ncnc12 |r| 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 | PDB
Reactome pathway
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PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM23676
(2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis[(2,2-dime...)Show SMILES CC(C)(C)CNc1nc(nc2c(NCC(C)(C)C)nc(nc12)N(CCO)CCO)N(CCO)CCO Show InChI InChI=1S/C24H44N8O4/c1-23(2,3)15-25-19-17-18(28-21(29-19)31(7-11-33)8-12-34)20(26-16-24(4,5)6)30-22(27-17)32(9-13-35)10-14-36/h33-36H,7-16H2,1-6H3,(H,25,28,29)(H,26,27,30) | PDB
Reactome pathway
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PubMed
| 14.7 | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
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
(Homo sapiens (Human)) | BDBM50366955
(BDBM50413731 | CHEMBL610357 | CHEMBL61387)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(Cl)cc3)ncnc12 |r| Show InChI InChI=1S/C17H17ClN4O4S/c18-10-3-1-9(2-4-10)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 | PDB
Reactome pathway
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PubMed
| 14.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50370288
(CHEMBL607631)Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCc2cc(ccc2C1)[N+]([O-])=O |r| Show InChI InChI=1S/C19H20N6O6/c26-7-13-15(27)16(28)19(31-13)24-9-22-14-17(20-8-21-18(14)24)23-4-3-10-5-12(25(29)30)2-1-11(10)6-23/h1-2,5,8-9,13,15-16,19,26-28H,3-4,6-7H2/t13-,15-,16-,19?/m1/s1 | PDB
Reactome pathway
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PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50376976
(CHEMBL261227)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCc2cc(ccc2C1)[N+]([O-])=O Show InChI InChI=1S/C19H20N6O6/c26-7-13-15(27)16(28)19(31-13)24-9-22-14-17(20-8-21-18(14)24)23-4-3-10-5-12(25(29)30)2-1-11(10)6-23/h1-2,5,8-9,13,15-16,19,26-28H,3-4,6-7H2/t13-,15-,16-,19-/m1/s1 | PDB
Reactome pathway
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| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50412062
(CHEMBL294755)Show SMILES Cc1ccc(CSc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C18H20N4O4S/c1-10-2-4-11(5-3-10)7-27-17-13-16(19-8-20-17)22(9-21-13)18-15(25)14(24)12(6-23)26-18/h2-5,8-9,12,14-15,18,23-25H,6-7H2,1H3/t12-,14-,15-,18-/m1/s1 | PDB
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PubMed
| 15.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM23682
(2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(cyclopent...)Show SMILES OCCN(CCO)c1nc(NC2CCCC2)c2nc(nc(NC3CCCC3)c2n1)N(CCO)CCO Show InChI InChI=1S/C24H40N8O4/c33-13-9-31(10-14-34)23-28-20-19(21(29-23)25-17-5-1-2-6-17)27-24(32(11-15-35)12-16-36)30-22(20)26-18-7-3-4-8-18/h17-18,33-36H,1-16H2,(H,25,28,29)(H,26,27,30) | PDB
Reactome pathway
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PubMed
| 15.8 | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
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
(Homo sapiens (Human)) | BDBM50366953
(BDBM50413735 | CHEMBL516202 | CHEMBL611529)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccccc3I)ncnc12 |r| Show InChI InChI=1S/C17H17IN4O4S/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 | PDB
Reactome pathway
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| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50366956
(BDBM50413730 | CHEMBL464810 | CHEMBL610940)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3cccc(Cl)c3)ncnc12 |r| 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 | PDB
Reactome pathway
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PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50412070
(CHEMBL59168)Show SMILES Cc1cccc(CSc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C18H20N4O4S/c1-10-3-2-4-11(5-10)7-27-17-13-16(19-8-20-17)22(9-21-13)18-15(25)14(24)12(6-23)26-18/h2-5,8-9,12,14-15,18,23-25H,6-7H2,1H3/t12-,14-,15-,18-/m1/s1 | PDB
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PubMed
| 16.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM23670
(2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(tert-buty...)Show SMILES CC(C)(C)Nc1nc(nc2c(NC(C)(C)C)nc(nc12)N(CCO)CCO)N(CCO)CCO Show InChI InChI=1S/C22H40N8O4/c1-21(2,3)27-17-15-16(24-19(25-17)29(7-11-31)8-12-32)18(28-22(4,5)6)26-20(23-15)30(9-13-33)10-14-34/h31-34H,7-14H2,1-6H3,(H,24,25,27)(H,23,26,28) | PDB
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PubMed
| 16.8 | n/a | 297 | n/a | n/a | n/a | n/a | n/a | n/a |
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
(Homo sapiens (Human)) | BDBM23693
(2-[(6-{bis[2-(acetyloxy)ethyl]amino}-4,8-bis(piper...)Show SMILES CC(=O)OCCN(CCOC(C)=O)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCOC(C)=O)CCOC(C)=O Show InChI InChI=1S/C32H48N8O8/c1-23(41)45-19-15-39(16-20-46-24(2)42)31-33-27-28(29(35-31)37-11-7-5-8-12-37)34-32(36-30(27)38-13-9-6-10-14-38)40(17-21-47-25(3)43)18-22-48-26(4)44/h5-22H2,1-4H3 | PDB
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| 17.1 | n/a | 302 | n/a | n/a | n/a | n/a | n/a | n/a |
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
(Homo sapiens (Human)) | BDBM50366956
(BDBM50413730 | CHEMBL464810 | CHEMBL610940)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3cccc(Cl)c3)ncnc12 |r| 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 | PDB
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PubMed
| 18.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50376971
(CHEMBL438046)Show SMILES O[C@@H]1[C@H]2COc3nc4c(ncnc4n3[C@H](O2)[C@@H]1O)N1CCc2ccc(cc2C1)[N+]([O-])=O Show InChI InChI=1S/C19H18N6O6/c26-14-12-7-30-19-22-13-16(20-8-21-17(13)24(19)18(31-12)15(14)27)23-4-3-9-1-2-11(25(28)29)5-10(9)6-23/h1-2,5,8,12,14-15,18,26-27H,3-4,6-7H2/t12-,14-,15-,18-/m1/s1 | PDB
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PubMed
| 18.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
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