Compile Data Set for Download or QSAR
Found 79 Enz. Inhib. hit(s) with Target = 'Sodium/nucleoside cotransporter'
TargetSodium/nucleoside cotransporter(RAT)
Eli Lilly and Company

Curated by PDSP Ki Database
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter(RAT)
Eli Lilly and Company

Curated by PDSP Ki Database
LigandPNGBDBM82071(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter(RAT)
Eli Lilly and Company

Curated by PDSP Ki Database
LigandPNGBDBM50022784((R)-N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine...)
Show SMILES CNCCC(Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 1(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM14487((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
Affinity DataKi:  1.80E+3nMAssay Description:Binding affinity to recombinant human CNT1 expressed in Saccharomyces cerevisiae assessed as inhibition of [3H]-uridine transport after 15 mins by sc...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 1(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50088517(CHEBI:16704 | Uridine)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
Affinity DataKi:  5.20E+3nMAssay Description:Binding affinity to recombinant human CNT1 expressed in Saccharomyces cerevisiae assessed as inhibition of [3H]-uridine transport after 15 mins by sc...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM14487((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
Affinity DataKi:  5.30E+3nMAssay Description:Binding affinity to recombinant human CNT2 expressed in Saccharomyces cerevisiae assessed as inhibition of [3H]-uridine transport after 15 mins by sc...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50088517(CHEBI:16704 | Uridine)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
Affinity DataKi:  3.10E+4nMAssay Description:Binding affinity to recombinant human CNT2 expressed in Saccharomyces cerevisiae assessed as inhibition of [3H]-uridine transport after 15 mins by sc...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 1(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50138530((2R,3R,5R)-2-Hydroxymethyl-5-{6-[(R)-(tetrahydro-f...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)ncnc12
Show InChI InChI=1S/C14H19N5O5/c20-3-8-10(21)11(22)14(24-8)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-23-4-7/h5-8,10-11,14,20-22H,1-4H2,(H,15,16,18)/t7?,8-,10-,11-,14?/m1/s1
Affinity DataKi:  3.70E+4nMAssay Description:Binding affinity to recombinant human CNT1 expressed in Saccharomyces cerevisiae assessed as inhibition of [3H]-uridine transport after 15 mins by sc...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50138530((2R,3R,5R)-2-Hydroxymethyl-5-{6-[(R)-(tetrahydro-f...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)ncnc12
Show InChI InChI=1S/C14H19N5O5/c20-3-8-10(21)11(22)14(24-8)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-23-4-7/h5-8,10-11,14,20-22H,1-4H2,(H,15,16,18)/t7?,8-,10-,11-,14?/m1/s1
Affinity DataKi:  2.31E+5nMAssay Description:Binding affinity to recombinant human CNT2 expressed in Saccharomyces cerevisiae assessed as inhibition of [3H]-uridine transport after 15 mins by sc...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50172392(CHEMBL3808747)
Show SMILES OCCCCOc1cc(CNc2nc3ccccc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1-c1ccccc1
Show InChI InChI=1S/C29H33N3O6/c33-14-6-7-15-37-24-16-19(12-13-21(24)20-8-2-1-3-9-20)17-30-29-31-22-10-4-5-11-23(22)32(29)28-27(36)26(35)25(18-34)38-28/h1-5,8-13,16,25-28,33-36H,6-7,14-15,17-18H2,(H,30,31)/t25-,26-,27-,28-/m1/s1
Affinity DataIC50: 62nMAssay Description:Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50085527(CHEMBL3427690)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(cc3)-c3ccccc3)nc12
Show InChI InChI=1S/C23H24N6O4/c24-20-17-21(27-12-26-20)29(22-19(32)18(31)16(11-30)33-22)23(28-17)25-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,12,16,18-19,22,30-32H,10-11H2,(H,25,28)(H2,24,26,27)/t16-,18-,19-,22-/m1/s1
Affinity DataIC50: 640nMAssay Description:Inhibition of human CNT2 expressed in COS7 cells assessed as reduction in sodium-dependent [14C]-inosine uptake in presence of Na+ by liquid scintill...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50085527(CHEMBL3427690)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(cc3)-c3ccccc3)nc12
Show InChI InChI=1S/C23H24N6O4/c24-20-17-21(27-12-26-20)29(22-19(32)18(31)16(11-30)33-22)23(28-17)25-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,12,16,18-19,22,30-32H,10-11H2,(H,25,28)(H2,24,26,27)/t16-,18-,19-,22-/m1/s1
Affinity DataIC50: 640nMAssay Description:Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50172396(CHEMBL3809613)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(c(OCCCCO)c3)-c3ccccc3)nc12
Show InChI InChI=1S/C27H32N6O6/c28-24-21-25(31-15-30-24)33(26-23(37)22(36)20(14-35)39-26)27(32-21)29-13-16-8-9-18(17-6-2-1-3-7-17)19(12-16)38-11-5-4-10-34/h1-3,6-9,12,15,20,22-23,26,34-37H,4-5,10-11,13-14H2,(H,29,32)(H2,28,30,31)/t20-,22-,23-,26-/m1/s1
Affinity DataIC50: 940nMAssay Description:Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50172411(CHEMBL3809974)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(cc3)-c3cccnc3)nc12
Show InChI InChI=1S/C22H23N7O4/c23-19-16-20(27-11-26-19)29(21-18(32)17(31)15(10-30)33-21)22(28-16)25-8-12-3-5-13(6-4-12)14-2-1-7-24-9-14/h1-7,9,11,15,17-18,21,30-32H,8,10H2,(H,25,28)(H2,23,26,27)/t15-,17-,18-,21-/m1/s1
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50172397(CHEMBL3809514)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(c(OCCCO)c3)-c3ccccc3)nc12
Show InChI InChI=1S/C26H30N6O6/c27-23-20-24(30-14-29-23)32(25-22(36)21(35)19(13-34)38-25)26(31-20)28-12-15-7-8-17(16-5-2-1-3-6-16)18(11-15)37-10-4-9-33/h1-3,5-8,11,14,19,21-22,25,33-36H,4,9-10,12-13H2,(H,28,31)(H2,27,29,30)/t19-,21-,22-,25-/m1/s1
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50172403(CHEMBL3809075)
Show SMILES COc1cc(ccc1CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1ccccc1
Show InChI InChI=1S/C24H26N6O5/c1-34-16-9-14(13-5-3-2-4-6-13)7-8-15(16)10-26-24-29-18-21(25)27-12-28-22(18)30(24)23-20(33)19(32)17(11-31)35-23/h2-9,12,17,19-20,23,31-33H,10-11H2,1H3,(H,26,29)(H2,25,27,28)/t17-,19-,20-,23-/m1/s1
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50172409(CHEMBL3808410)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(c(O)c3)-c3ccccc3)nc12
Show InChI InChI=1S/C23H24N6O5/c24-20-17-21(27-11-26-20)29(22-19(33)18(32)16(10-30)34-22)23(28-17)25-9-12-6-7-14(15(31)8-12)13-4-2-1-3-5-13/h1-8,11,16,18-19,22,30-33H,9-10H2,(H,25,28)(H2,24,26,27)/t16-,18-,19-,22-/m1/s1
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50172404(CHEMBL3809204)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(cc3O)-c3ccccc3)nc12
Show InChI InChI=1S/C23H24N6O5/c24-20-17-21(27-11-26-20)29(22-19(33)18(32)16(10-30)34-22)23(28-17)25-9-14-7-6-13(8-15(14)31)12-4-2-1-3-5-12/h1-8,11,16,18-19,22,30-33H,9-10H2,(H,25,28)(H2,24,26,27)/t16-,18-,19-,22-/m1/s1
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50172408(CHEMBL3809978)
Show SMILES COc1cc(CNc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1-c1ccccc1
Show InChI InChI=1S/C24H26N6O5/c1-34-16-9-13(7-8-15(16)14-5-3-2-4-6-14)10-26-24-29-18-21(25)27-12-28-22(18)30(24)23-20(33)19(32)17(11-31)35-23/h2-9,12,17,19-20,23,31-33H,10-11H2,1H3,(H,26,29)(H2,25,27,28)/t17-,19-,20-,23-/m1/s1
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50172412(CHEMBL3809948)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(cc3)-c3ccccn3)nc12
Show InChI InChI=1S/C22H23N7O4/c23-19-16-20(27-11-26-19)29(21-18(32)17(31)15(10-30)33-21)22(28-16)25-9-12-4-6-13(7-5-12)14-3-1-2-8-24-14/h1-8,11,15,17-18,21,30-32H,9-10H2,(H,25,28)(H2,23,26,27)/t15-,17-,18-,21-/m1/s1
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Rattus norvegicus)
Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50172392(CHEMBL3808747)
Show SMILES OCCCCOc1cc(CNc2nc3ccccc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1-c1ccccc1
Show InChI InChI=1S/C29H33N3O6/c33-14-6-7-15-37-24-16-19(12-13-21(24)20-8-2-1-3-9-20)17-30-29-31-22-10-4-5-11-23(22)32(29)28-27(36)26(35)25(18-34)38-28/h1-5,8-13,16,25-28,33-36H,6-7,14-15,17-18H2,(H,30,31)/t25-,26-,27-,28-/m1/s1
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of rat CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting an...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50172394(CHEMBL3809286)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(c(OCCCCCO)c3)-c3ccccc3)nc12
Show InChI InChI=1S/C28H34N6O6/c29-25-22-26(32-16-31-25)34(27-24(38)23(37)21(15-36)40-27)28(33-22)30-14-17-9-10-19(18-7-3-1-4-8-18)20(13-17)39-12-6-2-5-11-35/h1,3-4,7-10,13,16,21,23-24,27,35-38H,2,5-6,11-12,14-15H2,(H,30,33)(H2,29,31,32)/t21-,23-,24-,27-/m1/s1
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50172407(CHEMBL3810002)
Show SMILES CCOc1cc(CNc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1-c1ccccc1
Show InChI InChI=1S/C25H28N6O5/c1-2-35-17-10-14(8-9-16(17)15-6-4-3-5-7-15)11-27-25-30-19-22(26)28-13-29-23(19)31(25)24-21(34)20(33)18(12-32)36-24/h3-10,13,18,20-21,24,32-34H,2,11-12H2,1H3,(H,27,30)(H2,26,28,29)/t18-,20-,21-,24-/m1/s1
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50172410(CHEMBL3808652)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(cc3)-c3ccncc3)nc12
Show InChI InChI=1S/C22H23N7O4/c23-19-16-20(27-11-26-19)29(21-18(32)17(31)15(10-30)33-21)22(28-16)25-9-12-1-3-13(4-2-12)14-5-7-24-8-6-14/h1-8,11,15,17-18,21,30-32H,9-10H2,(H,25,28)(H2,23,26,27)/t15-,17-,18-,21-/m1/s1
Affinity DataIC50: 2.70E+3nMAssay Description:Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50172398(CHEMBL3808498)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(c(OCCO)c3)-c3ccccc3)nc12
Show InChI InChI=1S/C25H28N6O6/c26-22-19-23(29-13-28-22)31(24-21(35)20(34)18(12-33)37-24)25(30-19)27-11-14-6-7-16(15-4-2-1-3-5-15)17(10-14)36-9-8-32/h1-7,10,13,18,20-21,24,32-35H,8-9,11-12H2,(H,27,30)(H2,26,28,29)/t18-,20-,21-,24-/m1/s1
Affinity DataIC50: 3.10E+3nMAssay Description:Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50172400(CHEMBL3808970)
Show SMILES COC(=O)COc1cc(CNc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1-c1ccccc1
Show InChI InChI=1S/C26H28N6O7/c1-37-19(34)12-38-17-9-14(7-8-16(17)15-5-3-2-4-6-15)10-28-26-31-20-23(27)29-13-30-24(20)32(26)25-22(36)21(35)18(11-33)39-25/h2-9,13,18,21-22,25,33,35-36H,10-12H2,1H3,(H,28,31)(H2,27,29,30)/t18-,21-,22-,25-/m1/s1
Affinity DataIC50: 3.30E+3nMAssay Description:Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50172406(CHEMBL3808769)
Show SMILES CCCOc1cc(CNc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1-c1ccccc1
Show InChI InChI=1S/C26H30N6O5/c1-2-10-36-18-11-15(8-9-17(18)16-6-4-3-5-7-16)12-28-26-31-20-23(27)29-14-30-24(20)32(26)25-22(35)21(34)19(13-33)37-25/h3-9,11,14,19,21-22,25,33-35H,2,10,12-13H2,1H3,(H,28,31)(H2,27,29,30)/t19-,21-,22-,25-/m1/s1
Affinity DataIC50: 5.20E+3nMAssay Description:Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50085530(CHEMBL3427687)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc4ccccc4c3)nc12
Show InChI InChI=1S/C21H22N6O4/c22-18-15-19(25-10-24-18)27(20-17(30)16(29)14(9-28)31-20)21(26-15)23-8-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,10,14,16-17,20,28-30H,8-9H2,(H,23,26)(H2,22,24,25)/t14-,16-,17-,20-/m1/s1
Affinity DataIC50: 5.30E+3nMAssay Description:Inhibition of human CNT2 expressed in COS7 cells assessed as reduction in sodium-dependent [14C]-inosine uptake in presence of Na+ by liquid scintill...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50172402(CHEMBL3808969)
Show SMILES CCOc1cc(ccc1CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1ccccc1
Show InChI InChI=1S/C25H28N6O5/c1-2-35-17-10-15(14-6-4-3-5-7-14)8-9-16(17)11-27-25-30-19-22(26)28-13-29-23(19)31(25)24-21(34)20(33)18(12-32)36-24/h3-10,13,18,20-21,24,32-34H,2,11-12H2,1H3,(H,27,30)(H2,26,28,29)/t18-,20-,21-,24-/m1/s1
Affinity DataIC50: 5.40E+3nMAssay Description:Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50085538(CHEMBL3427681)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3cccc(Cl)c3)nc12
Show InChI InChI=1S/C17H19ClN6O4/c18-9-3-1-2-8(4-9)5-20-17-23-11-14(19)21-7-22-15(11)24(17)16-13(27)12(26)10(6-25)28-16/h1-4,7,10,12-13,16,25-27H,5-6H2,(H,20,23)(H2,19,21,22)/t10-,12-,13-,16-/m1/s1
Affinity DataIC50: 5.40E+3nMAssay Description:Inhibition of human CNT2 expressed in COS7 cells assessed as reduction in sodium-dependent [14C]-inosine uptake in presence of Na+ by liquid scintill...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM14487((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
Affinity DataIC50: 5.50E+3nMAssay Description:Binding affinity to recombinant human CNT2 expressed in Saccharomyces cerevisiae assessed as inhibition of [3H]-uridine transport after 15 mins by sc...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 1(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM14487((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
Affinity DataIC50: 5.50E+3nMAssay Description:Binding affinity to recombinant human CNT1 expressed in Saccharomyces cerevisiae assessed as inhibition of [3H]-uridine transport after 15 mins by sc...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50172399(CHEMBL3808734)
Show SMILES NC(=O)COc1cc(CNc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1-c1ccccc1
Show InChI InChI=1S/C25H27N7O6/c26-18(34)11-37-16-8-13(6-7-15(16)14-4-2-1-3-5-14)9-28-25-31-19-22(27)29-12-30-23(19)32(25)24-21(36)20(35)17(10-33)38-24/h1-8,12,17,20-21,24,33,35-36H,9-11H2,(H2,26,34)(H,28,31)(H2,27,29,30)/t17-,20-,21-,24-/m1/s1
Affinity DataIC50: 5.50E+3nMAssay Description:Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50085532(CHEMBL3427686)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3cccc4ccccc34)nc12
Show InChI InChI=1S/C21H22N6O4/c22-18-15-19(25-10-24-18)27(20-17(30)16(29)14(9-28)31-20)21(26-15)23-8-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,10,14,16-17,20,28-30H,8-9H2,(H,23,26)(H2,22,24,25)/t14-,16-,17-,20-/m1/s1
Affinity DataIC50: 5.70E+3nMAssay Description:Inhibition of human CNT2 expressed in COS7 cells assessed as reduction in sodium-dependent [14C]-inosine uptake in presence of Na+ by liquid scintill...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50085539(CHEMBL3427680)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccccc3Cl)nc12
Show InChI InChI=1S/C17H19ClN6O4/c18-9-4-2-1-3-8(9)5-20-17-23-11-14(19)21-7-22-15(11)24(17)16-13(27)12(26)10(6-25)28-16/h1-4,7,10,12-13,16,25-27H,5-6H2,(H,20,23)(H2,19,21,22)/t10-,12-,13-,16-/m1/s1
Affinity DataIC50: 5.70E+3nMAssay Description:Inhibition of human CNT2 expressed in COS7 cells assessed as reduction in sodium-dependent [14C]-inosine uptake in presence of Na+ by liquid scintill...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 1(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50088517(CHEBI:16704 | Uridine)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
Affinity DataIC50: 5.80E+3nMAssay Description:Binding affinity to recombinant human CNT1 expressed in Saccharomyces cerevisiae assessed as inhibition of [3H]-uridine transport after 15 mins by sc...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50172401(CHEMBL3808405)
Show SMILES CC(C)Oc1cc(ccc1CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1ccccc1
Show InChI InChI=1S/C26H30N6O5/c1-14(2)36-18-10-16(15-6-4-3-5-7-15)8-9-17(18)11-28-26-31-20-23(27)29-13-30-24(20)32(26)25-22(35)21(34)19(12-33)37-25/h3-10,13-14,19,21-22,25,33-35H,11-12H2,1-2H3,(H,28,31)(H2,27,29,30)/t19-,21-,22-,25-/m1/s1
Affinity DataIC50: 9.30E+3nMAssay Description:Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50172405(CHEMBL3809428)
Show SMILES CC(C)Oc1cc(CNc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1-c1ccccc1
Show InChI InChI=1S/C26H30N6O5/c1-14(2)36-18-10-15(8-9-17(18)16-6-4-3-5-7-16)11-28-26-31-20-23(27)29-13-30-24(20)32(26)25-22(35)21(34)19(12-33)37-25/h3-10,13-14,19,21-22,25,33-35H,11-12H2,1-2H3,(H,28,31)(H2,27,29,30)/t19-,21-,22-,25-/m1/s1
Affinity DataIC50: 1.04E+4nMAssay Description:Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50085540(CHEMBL3427679)
Show SMILES Cc1ccc(CNc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C18H22N6O4/c1-9-2-4-10(5-3-9)6-20-18-23-12-15(19)21-8-22-16(12)24(18)17-14(27)13(26)11(7-25)28-17/h2-5,8,11,13-14,17,25-27H,6-7H2,1H3,(H,20,23)(H2,19,21,22)/t11-,13-,14-,17-/m1/s1
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of human CNT2 expressed in COS7 cells assessed as reduction in sodium-dependent [14C]-inosine uptake in presence of Na+ by liquid scintill...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50085537(CHEMBL3427682)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12
Show InChI InChI=1S/C17H19ClN6O4/c18-9-3-1-8(2-4-9)5-20-17-23-11-14(19)21-7-22-15(11)24(17)16-13(27)12(26)10(6-25)28-16/h1-4,7,10,12-13,16,25-27H,5-6H2,(H,20,23)(H2,19,21,22)/t10-,12-,13-,16-/m1/s1
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of human CNT2 expressed in COS7 cells assessed as reduction in sodium-dependent [14C]-inosine uptake in presence of Na+ by liquid scintill...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50085534(CHEMBL3427684)
Show SMILES COc1cccc(CNc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1
Show InChI InChI=1S/C18H22N6O5/c1-28-10-4-2-3-9(5-10)6-20-18-23-12-15(19)21-8-22-16(12)24(18)17-14(27)13(26)11(7-25)29-17/h2-5,8,11,13-14,17,25-27H,6-7H2,1H3,(H,20,23)(H2,19,21,22)/t11-,13-,14-,17-/m1/s1
Affinity DataIC50: 1.30E+4nMAssay Description:Inhibition of human CNT2 expressed in COS7 cells assessed as reduction in sodium-dependent [14C]-inosine uptake in presence of Na+ by liquid scintill...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50085542(CHEMBL3427678)
Show SMILES Cc1cccc(CNc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1
Show InChI InChI=1S/C18H22N6O4/c1-9-3-2-4-10(5-9)6-20-18-23-12-15(19)21-8-22-16(12)24(18)17-14(27)13(26)11(7-25)28-17/h2-5,8,11,13-14,17,25-27H,6-7H2,1H3,(H,20,23)(H2,19,21,22)/t11-,13-,14-,17-/m1/s1
Affinity DataIC50: 1.90E+4nMAssay Description:Inhibition of human CNT2 expressed in COS7 cells assessed as reduction in sodium-dependent [14C]-inosine uptake in presence of Na+ by liquid scintill...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50172393(CHEMBL3809118)
Show SMILES OCCCCOc1cc(CNc2nc3c(nc[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1-c1ccccc1
Show InChI InChI=1S/C27H31N5O7/c33-10-4-5-11-38-19-12-16(8-9-18(19)17-6-2-1-3-7-17)13-28-27-31-21-24(29-15-30-25(21)37)32(27)26-23(36)22(35)20(14-34)39-26/h1-3,6-9,12,15,20,22-23,26,33-36H,4-5,10-11,13-14H2,(H,28,31)(H,29,30,37)/t20-,22-,23-,26-/m1/s1
Affinity DataIC50: 2.01E+4nMAssay Description:Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50085528(CHEMBL3427689)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3cccc(c3)-c3ccccc3)nc12
Show InChI InChI=1S/C23H24N6O4/c24-20-17-21(27-12-26-20)29(22-19(32)18(31)16(11-30)33-22)23(28-17)25-10-13-5-4-8-15(9-13)14-6-2-1-3-7-14/h1-9,12,16,18-19,22,30-32H,10-11H2,(H,25,28)(H2,24,26,27)/t16-,18-,19-,22-/m1/s1
Affinity DataIC50: 2.10E+4nMAssay Description:Inhibition of human CNT2 expressed in COS7 cells assessed as reduction in sodium-dependent [14C]-inosine uptake in presence of Na+ by liquid scintill...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50088517(CHEBI:16704 | Uridine)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
Affinity DataIC50: 3.20E+4nMAssay Description:Binding affinity to recombinant human CNT2 expressed in Saccharomyces cerevisiae assessed as inhibition of [3H]-uridine transport after 15 mins by sc...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50085533(CHEMBL3427685)
Show SMILES COc1ccc(CNc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C18H22N6O5/c1-28-10-4-2-9(3-5-10)6-20-18-23-12-15(19)21-8-22-16(12)24(18)17-14(27)13(26)11(7-25)29-17/h2-5,8,11,13-14,17,25-27H,6-7H2,1H3,(H,20,23)(H2,19,21,22)/t11-,13-,14-,17-/m1/s1
Affinity DataIC50: 3.60E+4nMAssay Description:Inhibition of human CNT2 expressed in COS7 cells assessed as reduction in sodium-dependent [14C]-inosine uptake in presence of Na+ by liquid scintill...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Rattus norvegicus)
Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50172396(CHEMBL3809613)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(c(OCCCCO)c3)-c3ccccc3)nc12
Show InChI InChI=1S/C27H32N6O6/c28-24-21-25(31-15-30-24)33(26-23(37)22(36)20(14-35)39-26)27(32-21)29-13-16-8-9-18(17-6-2-1-3-7-17)19(12-16)38-11-5-4-10-34/h1-3,6-9,12,15,20,22-23,26,34-37H,4-5,10-11,13-14H2,(H,29,32)(H2,28,30,31)/t20-,22-,23-,26-/m1/s1
Affinity DataIC50: 3.80E+4nMAssay Description:Inhibition of rat CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting an...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 1(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM50138530((2R,3R,5R)-2-Hydroxymethyl-5-{6-[(R)-(tetrahydro-f...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)ncnc12
Show InChI InChI=1S/C14H19N5O5/c20-3-8-10(21)11(22)14(24-8)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-23-4-7/h5-8,10-11,14,20-22H,1-4H2,(H,15,16,18)/t7?,8-,10-,11-,14?/m1/s1
Affinity DataIC50: 4.10E+4nMAssay Description:Binding affinity to recombinant human CNT1 expressed in Saccharomyces cerevisiae assessed as inhibition of [3H]-uridine transport after 15 mins by sc...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Rattus norvegicus)
Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50172397(CHEMBL3809514)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(c(OCCCO)c3)-c3ccccc3)nc12
Show InChI InChI=1S/C26H30N6O6/c27-23-20-24(30-14-29-23)32(25-22(36)21(35)19(13-34)38-25)26(31-20)28-12-15-7-8-17(16-5-2-1-3-6-16)18(11-15)37-10-4-9-33/h1-3,5-8,11,14,19,21-22,25,33-36H,4,9-10,12-13H2,(H,28,31)(H2,27,29,30)/t19-,21-,22-,25-/m1/s1
Affinity DataIC50: 4.51E+4nMAssay Description:Inhibition of rat CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting an...More data for this Ligand-Target Pair
TargetSodium/nucleoside cotransporter 2(Homo sapiens (Human))
Gilead Sciences Inc

Curated by ChEMBL
LigandPNGBDBM32372(adenosine-derived inhibitor, 6)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccccc3)nc12
Show InChI InChI=1S/C17H20N6O4/c18-14-11-15(21-8-20-14)23(16-13(26)12(25)10(7-24)27-16)17(22-11)19-6-9-4-2-1-3-5-9/h1-5,8,10,12-13,16,24-26H,6-7H2,(H,19,22)(H2,18,20,21)/t10-,12-,13-,16-/m1/s1
Affinity DataIC50: 5.20E+4nMAssay Description:Inhibition of human CNT2 expressed in COS7 cells assessed as reduction in sodium-dependent [14C]-inosine uptake in presence of Na+ by liquid scintill...More data for this Ligand-Target Pair
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