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Patent code US10377746

Compile Data Set for Download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
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
Equilibrative nucleoside transporter 1


(Mus musculus (Mouse))
BDBM409054
PNG
(3,3-Dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-(meth...)
Show SMILES Cc1ncc(cn1)-c1ccc2c(c1)N(C(=O)C2(C)C)c1cnc(cn1)S(C)(=O)=O
Show InChI InChI=1S/C20H19N5O3S/c1-12-21-8-14(9-22-12)13-5-6-15-16(7-13)25(19(26)20(15,2)3)17-10-24-18(11-23-17)29(4,27)28/h5-11H,1-4H3
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n/an/a 27n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
To measure adenosine transport activity of ENT-1 mammalian cells, stable cells expressing the mouse ENT-1 transporter were plated on day 1 in 96-well...


US Patent US10377746 (2019)


BindingDB Entry DOI: 10.7270/Q2H997JV
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Mus musculus (Mouse))
BDBM409053
PNG
(6-(5-Fluoro-6-methylpyridin-3-yl)-3,3-dimethyl-1-(...)
Show SMILES Cc1ncc(cc1F)-c1ccc2c(c1)N(C(=O)C2(C)C)c1cncc(c1)S(C)(=O)=O
Show InChI InChI=1S/C22H20FN3O3S/c1-13-19(23)7-15(10-25-13)14-5-6-18-20(8-14)26(21(27)22(18,2)3)16-9-17(12-24-11-16)30(4,28)29/h5-12H,1-4H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
To measure adenosine transport activity of ENT-1 mammalian cells, stable cells expressing the mouse ENT-1 transporter were plated on day 1 in 96-well...


US Patent US10377746 (2019)


BindingDB Entry DOI: 10.7270/Q2H997JV
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Mus musculus (Mouse))
BDBM409033
PNG
(3,3-Dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-(meth...)
Show SMILES Cc1ncc(cn1)-c1ccc2c(c1)N(C(=O)C2(C)C)c1cncc(c1)S(C)(=O)=O
Show InChI InChI=1S/C21H20N4O3S/c1-13-23-9-15(10-24-13)14-5-6-18-19(7-14)25(20(26)21(18,2)3)16-8-17(12-22-11-16)29(4,27)28/h5-12H,1-4H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
To measure adenosine transport activity of ENT-1 mammalian cells, stable cells expressing the mouse ENT-1 transporter were plated on day 1 in 96-well...


US Patent US10377746 (2019)


BindingDB Entry DOI: 10.7270/Q2H997JV
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Mus musculus (Mouse))
BDBM409050
PNG
(1-(6-Cyclopropyl-5-(methylsulfonyl)pyridin-3-yl)-3...)
Show SMILES Cc1ncc(cn1)-c1ccc2c(c1)N(C(=O)C2(C)C)c1cnc(C2CC2)c(c1)S(C)(=O)=O
Show InChI InChI=1S/C24H24N4O3S/c1-14-25-11-17(12-26-14)16-7-8-19-20(9-16)28(23(29)24(19,2)3)18-10-21(32(4,30)31)22(27-13-18)15-5-6-15/h7-13,15H,5-6H2,1-4H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
To measure adenosine transport activity of ENT-1 mammalian cells, stable cells expressing the mouse ENT-1 transporter were plated on day 1 in 96-well...


US Patent US10377746 (2019)


BindingDB Entry DOI: 10.7270/Q2H997JV
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Mus musculus (Mouse))
BDBM409044
PNG
(1-(5-(Cyclopropylsulfonyl)pyridin-3-yl)-3,3-dimeth...)
Show SMILES Cc1ncc(cn1)-c1ccc2c(c1)N(C(=O)C2(C)C)c1cncc(c1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C23H22N4O3S/c1-14-25-10-16(11-26-14)15-4-7-20-21(8-15)27(22(28)23(20,2)3)17-9-19(13-24-12-17)31(29,30)18-5-6-18/h4,7-13,18H,5-6H2,1-3H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
To measure adenosine transport activity of ENT-1 mammalian cells, stable cells expressing the mouse ENT-1 transporter were plated on day 1 in 96-well...


US Patent US10377746 (2019)


BindingDB Entry DOI: 10.7270/Q2H997JV
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Mus musculus (Mouse))
BDBM409034
PNG
(3,3-Dimethyl-6-(2-methylpyrimidin-5-yl)-1-(6-(meth...)
Show SMILES Cc1ncc(cn1)-c1ccc2c(c1)N(C(=O)C2(C)C)c1cncc(n1)S(C)(=O)=O
Show InChI InChI=1S/C20H19N5O3S/c1-12-22-8-14(9-23-12)13-5-6-15-16(7-13)25(19(26)20(15,2)3)17-10-21-11-18(24-17)29(4,27)28/h5-11H,1-4H3
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n/an/a 40.1n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
To measure adenosine transport activity of ENT-1 mammalian cells, stable cells expressing the mouse ENT-1 transporter were plated on day 1 in 96-well...


US Patent US10377746 (2019)


BindingDB Entry DOI: 10.7270/Q2H997JV
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Mus musculus (Mouse))
BDBM409037
PNG
(5-(3,3-Dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoin...)
Show SMILES CN(C)S(=O)(=O)c1cncc(c1)N1C(=O)C(C)(C)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C22H23N5O3S/c1-14-24-10-16(11-25-14)15-6-7-19-20(8-15)27(21(28)22(19,2)3)17-9-18(13-23-12-17)31(29,30)26(4)5/h6-13H,1-5H3
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n/an/a 44.9n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
To measure adenosine transport activity of ENT-1 mammalian cells, stable cells expressing the mouse ENT-1 transporter were plated on day 1 in 96-well...


US Patent US10377746 (2019)


BindingDB Entry DOI: 10.7270/Q2H997JV
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Mus musculus (Mouse))
BDBM409049
PNG
(5-(3,3-Dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoin...)
Show SMILES CNS(=O)(=O)c1cncc(c1)N1C(=O)C(C)(C)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C21H21N5O3S/c1-13-24-9-15(10-25-13)14-5-6-18-19(7-14)26(20(27)21(18,2)3)16-8-17(12-23-11-16)30(28,29)22-4/h5-12,22H,1-4H3
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n/an/a 71.7n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
To measure adenosine transport activity of ENT-1 mammalian cells, stable cells expressing the mouse ENT-1 transporter were plated on day 1 in 96-well...


US Patent US10377746 (2019)


BindingDB Entry DOI: 10.7270/Q2H997JV
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Mus musculus (Mouse))
BDBM409048
PNG
(5-(3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoin...)
Show SMILES COCCN(C)S(=O)(=O)c1cncc(c1)N1C(=O)C(C)(C)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C24H27N5O4S/c1-16-26-12-18(13-27-16)17-6-7-21-22(10-17)29(23(30)24(21,2)3)19-11-20(15-25-14-19)34(31,32)28(4)8-9-33-5/h6-7,10-15H,8-9H2,1-5H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
To measure adenosine transport activity of ENT-1 mammalian cells, stable cells expressing the mouse ENT-1 transporter were plated on day 1 in 96-well...


US Patent US10377746 (2019)


BindingDB Entry DOI: 10.7270/Q2H997JV
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Mus musculus (Mouse))
BDBM409035
PNG
(3,3-Dimethyl-6-(2-methylpyrimidin-5-yl)-1-(3-(meth...)
Show SMILES Cc1ncc(cn1)-c1ccc2c(c1)N(C(=O)C2(C)C)c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C22H21N3O3S/c1-14-23-12-16(13-24-14)15-8-9-19-20(10-15)25(21(26)22(19,2)3)17-6-5-7-18(11-17)29(4,27)28/h5-13H,1-4H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
To measure adenosine transport activity of ENT-1 mammalian cells, stable cells expressing the mouse ENT-1 transporter were plated on day 1 in 96-well...


US Patent US10377746 (2019)


BindingDB Entry DOI: 10.7270/Q2H997JV
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Mus musculus (Mouse))
BDBM409046
PNG
(5-(3,3-Dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoin...)
Show SMILES Cc1ncc(cn1)-c1ccc2c(c1)N(C(=O)C2(C)C)c1cncc(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H19N5O3S/c1-12-23-8-14(9-24-12)13-4-5-17-18(6-13)25(19(26)20(17,2)3)15-7-16(11-22-10-15)29(21,27)28/h4-11H,1-3H3,(H2,21,27,28)
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Hoffmann-La Roche Inc.

US Patent


Assay Description
To measure adenosine transport activity of ENT-1 mammalian cells, stable cells expressing the mouse ENT-1 transporter were plated on day 1 in 96-well...


US Patent US10377746 (2019)


BindingDB Entry DOI: 10.7270/Q2H997JV
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Mus musculus (Mouse))
BDBM409043
PNG
(1-(5-(Isopropylsulfonyl)pyridin-3-yl)-3,3-dimethyl...)
Show SMILES CC(C)S(=O)(=O)c1cncc(c1)N1C(=O)C(C)(C)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C23H24N4O3S/c1-14(2)31(29,30)19-9-18(12-24-13-19)27-21-8-16(17-10-25-15(3)26-11-17)6-7-20(21)23(4,5)22(27)28/h6-14H,1-5H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
To measure adenosine transport activity of ENT-1 mammalian cells, stable cells expressing the mouse ENT-1 transporter were plated on day 1 in 96-well...


US Patent US10377746 (2019)


BindingDB Entry DOI: 10.7270/Q2H997JV
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Mus musculus (Mouse))
BDBM409055
PNG
(3,3-Dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-(meth...)
Show SMILES Cc1ncc(cn1)-c1ccc2c(c1)N(C(=O)C2(C)C)c1ccc(cn1)S(C)(=O)=O
Show InChI InChI=1S/C21H20N4O3S/c1-13-22-10-15(11-23-13)14-5-7-17-18(9-14)25(20(26)21(17,2)3)19-8-6-16(12-24-19)29(4,27)28/h5-12H,1-4H3
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n/an/a 157n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
To measure adenosine transport activity of ENT-1 mammalian cells, stable cells expressing the mouse ENT-1 transporter were plated on day 1 in 96-well...


US Patent US10377746 (2019)


BindingDB Entry DOI: 10.7270/Q2H997JV
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Mus musculus (Mouse))
BDBM409047
PNG
(1-(5-(Azetidin-1-ylsulfonyl)pyridin-3-yl)-3,3-dime...)
Show SMILES Cc1ncc(cn1)-c1ccc2c(c1)N(C(=O)C2(C)C)c1cncc(c1)S(=O)(=O)N1CCC1
Show InChI InChI=1S/C23H23N5O3S/c1-15-25-11-17(12-26-15)16-5-6-20-21(9-16)28(22(29)23(20,2)3)18-10-19(14-24-13-18)32(30,31)27-7-4-8-27/h5-6,9-14H,4,7-8H2,1-3H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
To measure adenosine transport activity of ENT-1 mammalian cells, stable cells expressing the mouse ENT-1 transporter were plated on day 1 in 96-well...


US Patent US10377746 (2019)


BindingDB Entry DOI: 10.7270/Q2H997JV
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Mus musculus (Mouse))
BDBM409031
PNG
(1-(Benzo[b]thiophen-6-yl)-3,3-dimethyl-6-(2-methyl...)
Show SMILES Cc1ncc(cn1)-c1ccc2c(c1)N(C(=O)C2(C)C)c1ccc2ccsc2c1
Show InChI InChI=1S/C23H19N3OS/c1-14-24-12-17(13-25-14)16-5-7-19-20(10-16)26(22(27)23(19,2)3)18-6-4-15-8-9-28-21(15)11-18/h4-13H,1-3H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
To measure adenosine transport activity of ENT-1 mammalian cells, stable cells expressing the mouse ENT-1 transporter were plated on day 1 in 96-well...


US Patent US10377746 (2019)


BindingDB Entry DOI: 10.7270/Q2H997JV
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Mus musculus (Mouse))
BDBM409051
PNG
(3,3-Dimethyl-6-(2-methyl-1-oxidopyrimidin-1-ium-5-...)
Show SMILES Cc1c[n+]([O-])c(cn1)-c1ccc2c(c1)N(C(=O)C2(C)C)c1cncc(n1)S(C)(=O)=O
Show InChI InChI=1S/C20H19N5O4S/c1-12-11-24(27)16(8-22-12)13-5-6-14-15(7-13)25(19(26)20(14,2)3)17-9-21-10-18(23-17)30(4,28)29/h5-11H,1-4H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
To measure adenosine transport activity of ENT-1 mammalian cells, stable cells expressing the mouse ENT-1 transporter were plated on day 1 in 96-well...


US Patent US10377746 (2019)


BindingDB Entry DOI: 10.7270/Q2H997JV
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Mus musculus (Mouse))
BDBM409045
PNG
(3,3-Dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-(meth...)
Show SMILES CSc1cncc(c1)N1C(=O)C(C)(C)c2ccc(cc12)-c1cnc(C)nc1
Show InChI InChI=1S/C21H20N4OS/c1-13-23-9-15(10-24-13)14-5-6-18-19(7-14)25(20(26)21(18,2)3)16-8-17(27-4)12-22-11-16/h5-12H,1-4H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
To measure adenosine transport activity of ENT-1 mammalian cells, stable cells expressing the mouse ENT-1 transporter were plated on day 1 in 96-well...


US Patent US10377746 (2019)


BindingDB Entry DOI: 10.7270/Q2H997JV
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Mus musculus (Mouse))
BDBM409056
PNG
(6'-(2-Methylpyrimidin-5-yl)-1'-(5-(methylsulfonyl)...)
Show SMILES Cc1ncc(cn1)-c1ccc2c(c1)N(C(=O)C21CCC1)c1cncc(c1)S(C)(=O)=O
Show InChI InChI=1S/C22H20N4O3S/c1-14-24-10-16(11-25-14)15-4-5-19-20(8-15)26(21(27)22(19)6-3-7-22)17-9-18(13-23-12-17)30(2,28)29/h4-5,8-13H,3,6-7H2,1-2H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
To measure adenosine transport activity of ENT-1 mammalian cells, stable cells expressing the mouse ENT-1 transporter were plated on day 1 in 96-well...


US Patent US10377746 (2019)


BindingDB Entry DOI: 10.7270/Q2H997JV
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Mus musculus (Mouse))
BDBM409052
PNG
(3,3-Dimethyl-6-(5-methylpyridin-3-yl)-1-(5-(methyl...)
Show SMILES Cc1cncc(c1)-c1ccc2c(c1)N(C(=O)C2(C)C)c1cncc(c1)S(C)(=O)=O
Show InChI InChI=1S/C22H21N3O3S/c1-14-7-16(11-23-10-14)15-5-6-19-20(8-15)25(21(26)22(19,2)3)17-9-18(13-24-12-17)29(4,27)28/h5-13H,1-4H3
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n/an/a 313n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
To measure adenosine transport activity of ENT-1 mammalian cells, stable cells expressing the mouse ENT-1 transporter were plated on day 1 in 96-well...


US Patent US10377746 (2019)


BindingDB Entry DOI: 10.7270/Q2H997JV
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Mus musculus (Mouse))
BDBM409032
PNG
(1-(Benzo[b]thiophen-4-yl)-3,3-dimethyl-6-(2-methyl...)
Show SMILES Cc1ncc(cn1)-c1ccc2c(c1)N(C(=O)C2(C)C)c1cccc2sccc12
Show InChI InChI=1S/C23H19N3OS/c1-14-24-12-16(13-25-14)15-7-8-18-20(11-15)26(22(27)23(18,2)3)19-5-4-6-21-17(19)9-10-28-21/h4-13H,1-3H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
To measure adenosine transport activity of ENT-1 mammalian cells, stable cells expressing the mouse ENT-1 transporter were plated on day 1 in 96-well...


US Patent US10377746 (2019)


BindingDB Entry DOI: 10.7270/Q2H997JV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%