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Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50047516   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))
BDBM50172392
PNG
(CHEMBL3808747)
Show SMILES OCCCCOc1cc(CNc2nc3ccccc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1-c1ccccc1 |r|
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
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n/an/a 62n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...


J Med Chem 59: 3719-31 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01884
BindingDB Entry DOI: 10.7270/Q2ZW1NT8
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))
BDBM50085527
PNG
(CHEMBL3427690)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(cc3)-c3ccccc3)nc12 |r|
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
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n/an/a 640n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...


J Med Chem 59: 3719-31 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01884
BindingDB Entry DOI: 10.7270/Q2ZW1NT8
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))
BDBM50172396
PNG
(CHEMBL3809613)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(c(OCCCCO)c3)-c3ccccc3)nc12 |r|
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
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n/an/a 940n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...


J Med Chem 59: 3719-31 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01884
BindingDB Entry DOI: 10.7270/Q2ZW1NT8
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))
BDBM50172411
PNG
(CHEMBL3809974)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(cc3)-c3cccnc3)nc12 |r|
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
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n/an/a 1.00E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...


J Med Chem 59: 3719-31 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01884
BindingDB Entry DOI: 10.7270/Q2ZW1NT8
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))
BDBM50172403
PNG
(CHEMBL3809075)
Show SMILES COc1cc(ccc1CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1ccccc1 |r|
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
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n/an/a 1.10E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...


J Med Chem 59: 3719-31 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01884
BindingDB Entry DOI: 10.7270/Q2ZW1NT8
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))
BDBM50172397
PNG
(CHEMBL3809514)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(c(OCCCO)c3)-c3ccccc3)nc12 |r|
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
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n/an/a 1.10E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...


J Med Chem 59: 3719-31 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01884
BindingDB Entry DOI: 10.7270/Q2ZW1NT8
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))
BDBM50172409
PNG
(CHEMBL3808410)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(c(O)c3)-c3ccccc3)nc12 |r|
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
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n/an/a 1.20E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...


J Med Chem 59: 3719-31 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01884
BindingDB Entry DOI: 10.7270/Q2ZW1NT8
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))
BDBM50172408
PNG
(CHEMBL3809978)
Show SMILES COc1cc(CNc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1-c1ccccc1 |r|
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
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n/an/a 1.30E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...


J Med Chem 59: 3719-31 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01884
BindingDB Entry DOI: 10.7270/Q2ZW1NT8
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))
BDBM50172404
PNG
(CHEMBL3809204)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(cc3O)-c3ccccc3)nc12 |r|
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
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n/an/a 1.30E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...


J Med Chem 59: 3719-31 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01884
BindingDB Entry DOI: 10.7270/Q2ZW1NT8
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Rattus norvegicus)
BDBM50172392
PNG
(CHEMBL3808747)
Show SMILES OCCCCOc1cc(CNc2nc3ccccc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1-c1ccccc1 |r|
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
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n/an/a 1.50E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting an...


J Med Chem 59: 3719-31 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01884
BindingDB Entry DOI: 10.7270/Q2ZW1NT8
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))
BDBM50172412
PNG
(CHEMBL3809948)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(cc3)-c3ccccn3)nc12 |r|
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
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n/an/a 1.50E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...


J Med Chem 59: 3719-31 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01884
BindingDB Entry DOI: 10.7270/Q2ZW1NT8
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))
BDBM50172394
PNG
(CHEMBL3809286)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(c(OCCCCCO)c3)-c3ccccc3)nc12 |r|
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
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n/an/a 1.60E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...


J Med Chem 59: 3719-31 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01884
BindingDB Entry DOI: 10.7270/Q2ZW1NT8
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))
BDBM50172407
PNG
(CHEMBL3810002)
Show SMILES CCOc1cc(CNc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1-c1ccccc1 |r|
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
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n/an/a 2.30E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...


J Med Chem 59: 3719-31 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01884
BindingDB Entry DOI: 10.7270/Q2ZW1NT8
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))
BDBM50172410
PNG
(CHEMBL3808652)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(cc3)-c3ccncc3)nc12 |r|
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
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n/an/a 2.70E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...


J Med Chem 59: 3719-31 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01884
BindingDB Entry DOI: 10.7270/Q2ZW1NT8
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))
BDBM50172398
PNG
(CHEMBL3808498)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(c(OCCO)c3)-c3ccccc3)nc12 |r|
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
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n/an/a 3.10E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...


J Med Chem 59: 3719-31 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01884
BindingDB Entry DOI: 10.7270/Q2ZW1NT8
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))
BDBM50172400
PNG
(CHEMBL3808970)
Show SMILES COC(=O)COc1cc(CNc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1-c1ccccc1 |r|
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
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n/an/a 3.30E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...


J Med Chem 59: 3719-31 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01884
BindingDB Entry DOI: 10.7270/Q2ZW1NT8
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))
BDBM50172406
PNG
(CHEMBL3808769)
Show SMILES CCCOc1cc(CNc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1-c1ccccc1 |r|
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
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n/an/a 5.20E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...


J Med Chem 59: 3719-31 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01884
BindingDB Entry DOI: 10.7270/Q2ZW1NT8
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))
BDBM50172402
PNG
(CHEMBL3808969)
Show SMILES CCOc1cc(ccc1CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1ccccc1 |r|
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
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n/an/a 5.40E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...


J Med Chem 59: 3719-31 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01884
BindingDB Entry DOI: 10.7270/Q2ZW1NT8
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))
BDBM50172399
PNG
(CHEMBL3808734)
Show SMILES NC(=O)COc1cc(CNc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1-c1ccccc1 |r|
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
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n/an/a 5.50E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...


J Med Chem 59: 3719-31 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01884
BindingDB Entry DOI: 10.7270/Q2ZW1NT8
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))
BDBM50172401
PNG
(CHEMBL3808405)
Show SMILES CC(C)Oc1cc(ccc1CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1ccccc1 |r|
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
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n/an/a 9.30E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...


J Med Chem 59: 3719-31 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01884
BindingDB Entry DOI: 10.7270/Q2ZW1NT8
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))
BDBM50172405
PNG
(CHEMBL3809428)
Show SMILES CC(C)Oc1cc(CNc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1-c1ccccc1 |r|
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
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n/an/a 1.04E+4n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...


J Med Chem 59: 3719-31 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01884
BindingDB Entry DOI: 10.7270/Q2ZW1NT8
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))
BDBM50172393
PNG
(CHEMBL3809118)
Show SMILES OCCCCOc1cc(CNc2nc3c(nc[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1-c1ccccc1 |r|
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
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n/an/a 2.01E+4n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting ...


J Med Chem 59: 3719-31 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01884
BindingDB Entry DOI: 10.7270/Q2ZW1NT8
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Rattus norvegicus)
BDBM50172396
PNG
(CHEMBL3809613)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(c(OCCCCO)c3)-c3ccccc3)nc12 |r|
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
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n/an/a 3.80E+4n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting an...


J Med Chem 59: 3719-31 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01884
BindingDB Entry DOI: 10.7270/Q2ZW1NT8
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Rattus norvegicus)
BDBM50172397
PNG
(CHEMBL3809514)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(c(OCCCO)c3)-c3ccccc3)nc12 |r|
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
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n/an/a 4.51E+4n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting an...


J Med Chem 59: 3719-31 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01884
BindingDB Entry DOI: 10.7270/Q2ZW1NT8
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Rattus norvegicus)
BDBM50172394
PNG
(CHEMBL3809286)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(c(OCCCCCO)c3)-c3ccccc3)nc12 |r|
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
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n/an/a 6.00E+4n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting an...


J Med Chem 59: 3719-31 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01884
BindingDB Entry DOI: 10.7270/Q2ZW1NT8
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Rattus norvegicus)
BDBM50172398
PNG
(CHEMBL3808498)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(c(OCCO)c3)-c3ccccc3)nc12 |r|
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
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting an...


J Med Chem 59: 3719-31 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01884
BindingDB Entry DOI: 10.7270/Q2ZW1NT8
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Rattus norvegicus)
BDBM50172399
PNG
(CHEMBL3808734)
Show SMILES NC(=O)COc1cc(CNc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1-c1ccccc1 |r|
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
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting an...


J Med Chem 59: 3719-31 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01884
BindingDB Entry DOI: 10.7270/Q2ZW1NT8
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Rattus norvegicus)
BDBM50172411
PNG
(CHEMBL3809974)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(cc3)-c3cccnc3)nc12 |r|
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
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting an...


J Med Chem 59: 3719-31 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01884
BindingDB Entry DOI: 10.7270/Q2ZW1NT8
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Rattus norvegicus)
BDBM50172393
PNG
(CHEMBL3809118)
Show SMILES OCCCCOc1cc(CNc2nc3c(nc[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1-c1ccccc1 |r|
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
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n/an/a>1.00E+6n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting an...


J Med Chem 59: 3719-31 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01884
BindingDB Entry DOI: 10.7270/Q2ZW1NT8
More data for this
Ligand-Target Pair