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Compile Data Set for Download or QSAR

Found 42 hits with Last Name = 'nonaka' and Initial = 'y'   
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
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50006710
PNG
(8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,...)
Show SMILES CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C22H28N4O4/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(3)18(23-20)11-9-15-8-10-16(29-4)17(14-15)30-5/h8-11,14H,6-7,12-13H2,1-5H3/b11-9+
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 1n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor of striatal membrane using [3H]CGS-21680

J Med Chem 36: 3731-3 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5NTR
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50006710
PNG
(8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,...)
Show SMILES CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C22H28N4O4/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(3)18(23-20)11-9-15-8-10-16(29-4)17(14-15)30-5/h8-11,14H,6-7,12-13H2,1-5H3/b11-9+
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 7.80n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A2 receptor using N-[3H]-ethyladenosine-5`-uronamide in presence of cyclopentyladenosine rat striatal membranes under ...

J Med Chem 36: 3731-3 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5NTR
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50006710
PNG
(8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,...)
Show SMILES CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C22H28N4O4/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(3)18(23-20)11-9-15-8-10-16(29-4)17(14-15)30-5/h8-11,14H,6-7,12-13H2,1-5H3/b11-9+
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 7.90n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor of striatal membrane using [3H]CGS-21680

J Med Chem 36: 3731-3 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5NTR
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50006710
PNG
(8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,...)
Show SMILES CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C22H28N4O4/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(3)18(23-20)11-9-15-8-10-16(29-4)17(14-15)30-5/h8-11,14H,6-7,12-13H2,1-5H3/b11-9+
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 62n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor using N-[3H] cyclohexyladenosine in rat forebrain membranes

J Med Chem 36: 3731-3 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5NTR
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50006710
PNG
(8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,...)
Show SMILES CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C22H28N4O4/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(3)18(23-20)11-9-15-8-10-16(29-4)17(14-15)30-5/h8-11,14H,6-7,12-13H2,1-5H3/b11-9+
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 390n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor using N-[3H] cyclohexyladenosine in rat forebrain membranes

J Med Chem 36: 3731-3 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5NTR
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50006710
PNG
(8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,...)
Show SMILES CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C22H28N4O4/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(3)18(23-20)11-9-15-8-10-16(29-4)17(14-15)30-5/h8-11,14H,6-7,12-13H2,1-5H3/b11-9+
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 430n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor using N-[3H] cyclohexyladenosine in rat forebrain membranes under usual light

J Med Chem 36: 3731-3 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5NTR
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50042735
PNG
(8-[2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,3-di...)
Show SMILES CCCn1c2nc(\C=C/c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C22H28N4O4/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(3)18(23-20)11-9-15-8-10-16(29-4)17(14-15)30-5/h8-11,14H,6-7,12-13H2,1-5H3/b11-9-
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 860n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor using N-[3H] cyclohexyladenosine in rat forebrain membranes under usual light

J Med Chem 36: 3731-3 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5NTR
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)		BDBM50006710
PNG
(8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,...)
Show SMILES CCCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C22H28N4O4/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(3)18(23-20)11-9-15-8-10-16(29-4)17(14-15)30-5/h8-11,14H,6-7,12-13H2,1-5H3/b11-9+
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 1.50E+3n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor using N-[3H] cyclohexyladenosine in guinea pig forebrain membranes under usual light

J Med Chem 36: 3731-3 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5NTR
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50042735
PNG
(8-[2-(3,4-Dimethoxy-phenyl)-vinyl]-7-methyl-1,3-di...)
Show SMILES CCCn1c2nc(\C=C/c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C22H28N4O4/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(3)18(23-20)11-9-15-8-10-16(29-4)17(14-15)30-5/h8-11,14H,6-7,12-13H2,1-5H3/b11-9-
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor using N-[3H] cyclohexyladenosine in rat forebrain membranes

J Med Chem 36: 3731-3 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5NTR
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 COS7 cells assessed as reduction in sodium-dependent [14C]-inosine uptake in presence of Na+ by liquid scintill...

ACS Med Chem Lett 6: 244-8 (2015)


Article DOI: 10.1021/ml500343r
BindingDB Entry DOI: 10.7270/Q2BK1F27
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))		BDBM50085530
PNG
(CHEMBL3427687)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc4ccccc4c3)nc12 |r|
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
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n/an/a 5.30E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay 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...

ACS Med Chem Lett 6: 244-8 (2015)


Article DOI: 10.1021/ml500343r
BindingDB Entry DOI: 10.7270/Q2BK1F27
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))		BDBM50085538
PNG
(CHEMBL3427681)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3cccc(Cl)c3)nc12 |r|
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
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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 COS7 cells assessed as reduction in sodium-dependent [14C]-inosine uptake in presence of Na+ by liquid scintill...

ACS Med Chem Lett 6: 244-8 (2015)


Article DOI: 10.1021/ml500343r
BindingDB Entry DOI: 10.7270/Q2BK1F27
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))		BDBM50085539
PNG
(CHEMBL3427680)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccccc3Cl)nc12 |r|
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
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n/an/a 5.70E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay 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...

ACS Med Chem Lett 6: 244-8 (2015)


Article DOI: 10.1021/ml500343r
BindingDB Entry DOI: 10.7270/Q2BK1F27
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))		BDBM50085532
PNG
(CHEMBL3427686)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3cccc4ccccc34)nc12 |r|
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
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n/an/a 5.70E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay 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...

ACS Med Chem Lett 6: 244-8 (2015)


Article DOI: 10.1021/ml500343r
BindingDB Entry DOI: 10.7270/Q2BK1F27
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))		BDBM50085540
PNG
(CHEMBL3427679)
Show SMILES Cc1ccc(CNc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
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
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n/an/a 1.10E+4n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay 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...

ACS Med Chem Lett 6: 244-8 (2015)


Article DOI: 10.1021/ml500343r
BindingDB Entry DOI: 10.7270/Q2BK1F27
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))		BDBM50085537
PNG
(CHEMBL3427682)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)cc3)nc12 |r|
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
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n/an/a 1.10E+4n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay 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...

ACS Med Chem Lett 6: 244-8 (2015)


Article DOI: 10.1021/ml500343r
BindingDB Entry DOI: 10.7270/Q2BK1F27
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))		BDBM50085534
PNG
(CHEMBL3427684)
Show SMILES COc1cccc(CNc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r|
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
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n/an/a 1.30E+4n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay 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...

ACS Med Chem Lett 6: 244-8 (2015)


Article DOI: 10.1021/ml500343r
BindingDB Entry DOI: 10.7270/Q2BK1F27
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))		BDBM50085542
PNG
(CHEMBL3427678)
Show SMILES Cc1cccc(CNc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r|
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
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n/an/a 1.90E+4n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay 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...

ACS Med Chem Lett 6: 244-8 (2015)


Article DOI: 10.1021/ml500343r
BindingDB Entry DOI: 10.7270/Q2BK1F27
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))		BDBM50085528
PNG
(CHEMBL3427689)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3cccc(c3)-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)25-10-13-5-4-8-15(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
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n/an/a 2.10E+4n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay 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...

ACS Med Chem Lett 6: 244-8 (2015)


Article DOI: 10.1021/ml500343r
BindingDB Entry DOI: 10.7270/Q2BK1F27
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))		BDBM50085533
PNG
(CHEMBL3427685)
Show SMILES COc1ccc(CNc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
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
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n/an/a 3.60E+4n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay 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...

ACS Med Chem Lett 6: 244-8 (2015)


Article DOI: 10.1021/ml500343r
BindingDB Entry DOI: 10.7270/Q2BK1F27
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))		BDBM32372
PNG
(adenosine-derived inhibitor, 6)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccccc3)nc12 |r|
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
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n/an/a 5.20E+4n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay 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...

ACS Med Chem Lett 6: 244-8 (2015)


Article DOI: 10.1021/ml500343r
BindingDB Entry DOI: 10.7270/Q2BK1F27
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))		BDBM50085543
PNG
(CHEMBL3427677)
Show SMILES Cc1ccccc1CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H22N6O4/c1-9-4-2-3-5-10(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
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n/an/a 6.50E+4n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay 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...

ACS Med Chem Lett 6: 244-8 (2015)


Article DOI: 10.1021/ml500343r
BindingDB Entry DOI: 10.7270/Q2BK1F27
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))		BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/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 human CNT2 expressed in COS7 cells assessed as reduction in sodium-dependent [14C]-inosine uptake in presence of Na+ by liquid scintill...

ACS Med Chem Lett 6: 244-8 (2015)


Article DOI: 10.1021/ml500343r
BindingDB Entry DOI: 10.7270/Q2BK1F27
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))		BDBM50085535
PNG
(CHEMBL3427683)
Show SMILES COc1ccccc1CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H22N6O5/c1-28-10-5-3-2-4-9(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
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Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay 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...

ACS Med Chem Lett 6: 244-8 (2015)


Article DOI: 10.1021/ml500343r
BindingDB Entry DOI: 10.7270/Q2BK1F27
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))		BDBM50085466
PNG
(CHEMBL3427695)
Show SMILES COC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C12H15N5O6/c1-21-12(20)22-2-5-7(18)8(19)11(23-5)17-4-16-6-9(13)14-3-15-10(6)17/h3-5,7-8,11,18-19H,2H2,1H3,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1
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Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay 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...

ACS Med Chem Lett 6: 244-8 (2015)


Article DOI: 10.1021/ml500343r
BindingDB Entry DOI: 10.7270/Q2BK1F27
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))		BDBM50085529
PNG
(CHEMBL3427688)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccccc3-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)25-10-14-8-4-5-9-15(14)13-6-2-1-3-7-13/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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Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay 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...

ACS Med Chem Lett 6: 244-8 (2015)


Article DOI: 10.1021/ml500343r
BindingDB Entry DOI: 10.7270/Q2BK1F27
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))		BDBM50085467
PNG
(CHEMBL3427694)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)Cc2ccccc2)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H19N5O5/c19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)11(28-18)7-27-12(24)6-10-4-2-1-3-5-10/h1-5,8-9,11,14-15,18,25-26H,6-7H2,(H2,19,20,21)/t11-,14-,15-,18-/m1/s1
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Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay 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...

ACS Med Chem Lett 6: 244-8 (2015)


Article DOI: 10.1021/ml500343r
BindingDB Entry DOI: 10.7270/Q2BK1F27
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))		BDBM50085500
PNG
(CHEMBL3427693)
Show SMILES CCCCCC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C16H23N5O5/c1-2-3-4-5-10(22)25-6-9-12(23)13(24)16(26-9)21-8-20-11-14(17)18-7-19-15(11)21/h7-9,12-13,16,23-24H,2-6H2,1H3,(H2,17,18,19)/t9-,12-,13-,16-/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 human CNT2 expressed in COS7 cells assessed as reduction in sodium-dependent [14C]-inosine uptake in presence of Na+ by liquid scintill...

ACS Med Chem Lett 6: 244-8 (2015)


Article DOI: 10.1021/ml500343r
BindingDB Entry DOI: 10.7270/Q2BK1F27
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))		BDBM82052
PNG
(Ado-5'-ethylcarboxylate)
Show SMILES CCC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C13H17N5O5/c1-2-7(19)22-3-6-9(20)10(21)13(23-6)18-5-17-8-11(14)15-4-16-12(8)18/h4-6,9-10,13,20-21H,2-3H2,1H3,(H2,14,15,16)/t6-,9-,10-,13-/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 human CNT2 expressed in COS7 cells assessed as reduction in sodium-dependent [14C]-inosine uptake in presence of Na+ by liquid scintill...

ACS Med Chem Lett 6: 244-8 (2015)


Article DOI: 10.1021/ml500343r
BindingDB Entry DOI: 10.7270/Q2BK1F27
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))		BDBM50085525
PNG
(CHEMBL3427691)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C12H15N5O5/c1-5(18)21-2-6-8(19)9(20)12(22-6)17-4-16-7-10(13)14-3-15-11(7)17/h3-4,6,8-9,12,19-20H,2H2,1H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1
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Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay 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...

ACS Med Chem Lett 6: 244-8 (2015)


Article DOI: 10.1021/ml500343r
BindingDB Entry DOI: 10.7270/Q2BK1F27
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))		BDBM50085462
PNG
(CHEMBL3427699)
Show SMILES CNC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C12H16N6O5/c1-14-12(21)22-2-5-7(19)8(20)11(23-5)18-4-17-6-9(13)15-3-16-10(6)18/h3-5,7-8,11,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t5-,7-,8-,11-/m1/s1
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Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay 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...

ACS Med Chem Lett 6: 244-8 (2015)


Article DOI: 10.1021/ml500343r
BindingDB Entry DOI: 10.7270/Q2BK1F27
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))		BDBM50085463
PNG
(CHEMBL3427698)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)OCc2ccccc2)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H19N5O6/c19-15-12-16(21-8-20-15)23(9-22-12)17-14(25)13(24)11(29-17)7-28-18(26)27-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,24-25H,6-7H2,(H2,19,20,21)/t11-,13-,14-,17-/m1/s1
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Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay 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...

ACS Med Chem Lett 6: 244-8 (2015)


Article DOI: 10.1021/ml500343r
BindingDB Entry DOI: 10.7270/Q2BK1F27
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))		BDBM50085446
PNG
(CHEMBL3427701)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)NCc2ccccc2)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H20N6O5/c19-15-12-16(22-8-21-15)24(9-23-12)17-14(26)13(25)11(29-17)7-28-18(27)20-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,25-26H,6-7H2,(H,20,27)(H2,19,21,22)/t11-,13-,14-,17-/m1/s1
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Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay 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...

ACS Med Chem Lett 6: 244-8 (2015)


Article DOI: 10.1021/ml500343r
BindingDB Entry DOI: 10.7270/Q2BK1F27
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))		BDBM50085447
PNG
(CHEMBL3427700)
Show SMILES CCCCCNC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C16H24N6O5/c1-2-3-4-5-18-16(25)26-6-9-11(23)12(24)15(27-9)22-8-21-10-13(17)19-7-20-14(10)22/h7-9,11-12,15,23-24H,2-6H2,1H3,(H,18,25)(H2,17,19,20)/t9-,11-,12-,15-/m1/s1
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Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay 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...

ACS Med Chem Lett 6: 244-8 (2015)


Article DOI: 10.1021/ml500343r
BindingDB Entry DOI: 10.7270/Q2BK1F27
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))		BDBM50085464
PNG
(CHEMBL3427697)
Show SMILES CCCCCOC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C16H23N5O6/c1-2-3-4-5-25-16(24)26-6-9-11(22)12(23)15(27-9)21-8-20-10-13(17)18-7-19-14(10)21/h7-9,11-12,15,22-23H,2-6H2,1H3,(H2,17,18,19)/t9-,11-,12-,15-/m1/s1
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Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay 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...

ACS Med Chem Lett 6: 244-8 (2015)


Article DOI: 10.1021/ml500343r
BindingDB Entry DOI: 10.7270/Q2BK1F27
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))		BDBM50085465
PNG
(CHEMBL3427696)
Show SMILES CCOC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C13H17N5O6/c1-2-22-13(21)23-3-6-8(19)9(20)12(24-6)18-5-17-7-10(14)15-4-16-11(7)18/h4-6,8-9,12,19-20H,2-3H2,1H3,(H2,14,15,16)/t6-,8-,9-,12-/m1/s1
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Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay 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...

ACS Med Chem Lett 6: 244-8 (2015)


Article DOI: 10.1021/ml500343r
BindingDB Entry DOI: 10.7270/Q2BK1F27
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))		BDBM50085546
PNG
(CHEMBL3427669)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCCc3ccccc3)nc12 |r|
Show InChI InChI=1S/C18H22N6O4/c19-15-12-16(22-9-21-15)24(17-14(27)13(26)11(8-25)28-17)18(23-12)20-7-6-10-4-2-1-3-5-10/h1-5,9,11,13-14,17,25-27H,6-8H2,(H,20,23)(H2,19,21,22)/t11-,13-,14-,17-/m1/s1
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n/an/a 2.33E+5n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay 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...

ACS Med Chem Lett 6: 244-8 (2015)


Article DOI: 10.1021/ml500343r
BindingDB Entry DOI: 10.7270/Q2BK1F27
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))		BDBM50085544
PNG
(CHEMBL3427668)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(Nc3ccccc3)nc12 |r|
Show InChI InChI=1S/C16H18N6O4/c17-13-10-14(19-7-18-13)22(15-12(25)11(24)9(6-23)26-15)16(21-10)20-8-4-2-1-3-5-8/h1-5,7,9,11-12,15,23-25H,6H2,(H,20,21)(H2,17,18,19)/t9-,11-,12-,15-/m1/s1
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n/an/a 2.89E+5n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay 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...

ACS Med Chem Lett 6: 244-8 (2015)


Article DOI: 10.1021/ml500343r
BindingDB Entry DOI: 10.7270/Q2BK1F27
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))		BDBM50085547
PNG
(CHEMBL3427670)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCCCc3ccccc3)nc12 |r|
Show InChI InChI=1S/C19H24N6O4/c20-16-13-17(23-10-22-16)25(18-15(28)14(27)12(9-26)29-18)19(24-13)21-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,10,12,14-15,18,26-28H,4,7-9H2,(H,21,24)(H2,20,22,23)/t12-,14-,15-,18-/m1/s1
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n/an/a 5.36E+5n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay 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...

ACS Med Chem Lett 6: 244-8 (2015)


Article DOI: 10.1021/ml500343r
BindingDB Entry DOI: 10.7270/Q2BK1F27
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))		BDBM50157558
PNG
(7,8,3'-Trihydroxyflavone | 7,8-dihydroxy-2-(3-hydr...)
Show SMILES Oc1cccc(c1)-c1cc(=O)c2ccc(O)c(O)c2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-2-8(6-9)13-7-12(18)10-4-5-11(17)14(19)15(10)20-13/h1-7,16-17,19H
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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 human CNT2 expressed in COS7 cells assessed as reduction in sodium-dependent [14C]-inosine uptake in presence of Na+ by liquid scintill...

ACS Med Chem Lett 6: 244-8 (2015)


Article DOI: 10.1021/ml500343r
BindingDB Entry DOI: 10.7270/Q2BK1F27
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))		BDBM50340678
PNG
(1-(beta-D-2-deoxy-erythro-pentofuranosyl)-5-fluoro...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/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 human CNT2 expressed in COS7 cells assessed as reduction in sodium-dependent [14C]-inosine uptake in presence of Na+ by liquid scintill...

ACS Med Chem Lett 6: 244-8 (2015)


Article DOI: 10.1021/ml500343r
BindingDB Entry DOI: 10.7270/Q2BK1F27
More data for this
Ligand-Target Pair
Sodium/nucleoside cotransporter 2


(Homo sapiens (Human))		BDBM20875
PNG
(1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihyd...)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/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 human CNT2 expressed in COS7 cells assessed as reduction in sodium-dependent [14C]-inosine uptake in presence of Na+ by liquid scintill...

ACS Med Chem Lett 6: 244-8 (2015)


Article DOI: 10.1021/ml500343r
BindingDB Entry DOI: 10.7270/Q2BK1F27
More data for this
Ligand-Target Pair