Found 31 hits Enz. Inhib. hit(s) with all data for entry = 50041714 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
| 0.708 | 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)) | 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)) | 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)) | 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)) | 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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| 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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| 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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| 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)) | 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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| 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)) | 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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| 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)) | 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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| 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)) | BDBM50413742
(CHEMBL59195)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3cccc(c3)C(F)(F)F)ncnc12 |r| Show InChI InChI=1S/C18H17F3N4O4S/c19-18(20,21)10-3-1-2-9(4-10)6-30-16-12-15(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
Reactome pathway
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PubMed
| 19.1 | 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)) | 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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PubMed
| 19.5 | 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)) | BDBM50240561
((2R,3R,4S,5R)-2-(6-(benzylthio)-9H-purin-9-yl)-5-(...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccccc3)ncnc12 |r| 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/t11-,13-,14-,17-/m1/s1 | PDB
Reactome pathway
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UniChem
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| Article
PubMed
| 19.9 | 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)) | BDBM50366957
(BDBM50413733 | CHEMBL475104 | CHEMBL611849)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3cccc(Br)c3)ncnc12 |r| Show InChI InChI=1S/C17H17BrN4O4S/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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UniChem
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PubMed
| 20.9 | 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)) | BDBM50366951
(BDBM50413726 | CHEMBL60735 | CHEMBL610654)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccccc3F)ncnc12 |r| Show InChI InChI=1S/C17H17FN4O4S/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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UniChem
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PubMed
| 24.0 | 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)) | BDBM50413743
(CHEMBL61524)Show SMILES COc1ccc(CSc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C18H20N4O5S/c1-26-11-4-2-10(3-5-11)7-28-17-13-16(19-8-20-17)22(9-21-13)18-15(25)14(24)12(6-23)27-18/h2-5,8-9,12,14-15,18,23-25H,6-7H2,1H3/t12-,14-,15-,18-/m1/s1 | PDB
Reactome pathway
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UniChem
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PubMed
| 34.7 | 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)) | BDBM50413739
(CHEMBL471062)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3cccc(c3)C#N)ncnc12 |r| Show InChI InChI=1S/C18H17N5O4S/c19-5-10-2-1-3-11(4-10)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
Reactome pathway
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PubMed
| 36.3 | 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)) | BDBM50413738
(CHEMBL471061)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccccc3C#N)ncnc12 |r| Show InChI InChI=1S/C18H17N5O4S/c19-5-10-3-1-2-4-11(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
Reactome pathway
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PubMed
| 38.9 | 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)) | BDBM50413746
(CHEMBL293957)Show SMILES COC(=O)c1ccc(CSc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C19H20N4O6S/c1-28-19(27)11-4-2-10(3-5-11)7-30-17-13-16(20-8-21-17)23(9-22-13)18-15(26)14(25)12(6-24)29-18/h2-5,8-9,12,14-15,18,24-26H,6-7H2,1H3/t12-,14-,15-,18-/m1/s1 | PDB
Reactome pathway
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PubMed
| 46.8 | 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)) | BDBM50412038
(CHEMBL540448)Show SMILES Cc1ccccc1CSc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H20N4O4S/c1-10-4-2-3-5-11(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
Reactome pathway
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PubMed
| 67.6 | 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)) | BDBM50413749
(CHEMBL59683)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3c(F)cccc3Cl)ncnc12 |r| Show InChI InChI=1S/C17H16ClFN4O4S/c18-9-2-1-3-10(19)8(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
Reactome pathway
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PubMed
| 87.1 | 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)) | BDBM50413741
(CHEMBL470024)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccccc3[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)29-6-9-3-1-2-4-10(9)22(26)27/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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UniChem
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PubMed
| 115 | 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)) | BDBM50366950
(BDBM50413729 | CHEMBL292374 | CHEMBL608593)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccccc3Cl)ncnc12 |r| 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 | PDB
Reactome pathway
KEGG
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UniChem
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PubMed
| 117 | 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)) | BDBM50366952
(BDBM50413732 | CHEMBL475103 | CHEMBL611240)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccccc3Br)ncnc12 |r| 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 | PDB
Reactome pathway
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UniChem
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PubMed
| 151 | 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)) | BDBM50413750
(CHEMBL60779)Show SMILES Cc1cc(C)c(CSc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(C)c1 |r| Show InChI InChI=1S/C20H24N4O4S/c1-10-4-11(2)13(12(3)5-10)7-29-19-15-18(21-8-22-19)24(9-23-15)20-17(27)16(26)14(6-25)28-20/h4-5,8-9,14,16-17,20,25-27H,6-7H2,1-3H3/t14-,16-,17-,20-/m1/s1 | PDB
Reactome pathway
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PubMed
| 1.91E+3 | 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)) | BDBM50413745
(CHEMBL292248)Show SMILES CC(C)(C)c1ccc(CSc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C21H26N4O4S/c1-21(2,3)13-6-4-12(5-7-13)9-30-19-15-18(22-10-23-19)25(11-24-15)20-17(28)16(27)14(8-26)29-20/h4-7,10-11,14,16-17,20,26-28H,8-9H2,1-3H3/t14-,16-,17-,20-/m1/s1 | PDB
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PubMed
| 1.00E+4 | 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 | |
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