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USPatent US10196396

Compile Data Set for Download or QSAR

Found 240 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
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333261
PNG
((2S,3R,4S)-2-(8-((2,5-dichlorobenzyl)amino)-[1,2,4...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3cc(Cl)ccc3Cl)nccn12
Show InChI InChI=1S/C16H15Cl2N5O2S/c17-9-1-2-10(18)8(5-9)6-20-14-16-22-21-15(23(16)4-3-19-14)13-12(25)11(24)7-26-13/h1-5,11-13,24-25H,6-7H2,(H,19,20)/t11-,12-,13-/m1/s1
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<10n/an/an/an/an/an/an/an/a



HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333260
PNG
((2S,3R,4S)-2-(8-((3,5-dichlorobenzyl)amino)-[1,2,4...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3cc(Cl)cc(Cl)c3)nccn12
Show InChI InChI=1S/C16H15Cl2N5O2S/c17-9-3-8(4-10(18)5-9)6-20-14-16-22-21-15(23(16)2-1-19-14)13-12(25)11(24)7-26-13/h1-5,11-13,24-25H,6-7H2,(H,19,20)/t11-,12-,13-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333259
PNG
((2S,3R,4S)-2-(8-(2-(3-chlorophenyl)hydrazinyl)-[1,...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NNc3cccc(Cl)c3)nccn12
Show InChI InChI=1S/C15H15ClN6O2S/c16-8-2-1-3-9(6-8)18-19-13-15-21-20-14(22(15)5-4-17-13)12-11(24)10(23)7-25-12/h1-6,10-12,18,23-24H,7H2,(H,17,19)/t10-,11-,12-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333246
PNG
((2S,3R,4S)-2-(8-((4-methylpiperazin-1-yl)amino)-[1...)
Show SMILES CN1CCN(CC1)Nc1nccn2c(nnc12)[C@@H]1SC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C14H21N7O2S/c1-19-4-6-20(7-5-19)18-12-14-17-16-13(21(14)3-2-15-12)11-10(23)9(22)8-24-11/h2-3,9-11,22-23H,4-8H2,1H3,(H,15,18)/t9-,10-,11-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333227
PNG
((2S,3R,4S)-2-(8-((pyridin-4-ylmethyl)amino)-[1,2,4...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3ccncc3)nccn12
Show InChI InChI=1S/C15H16N6O2S/c22-10-8-24-12(11(10)23)14-19-20-15-13(17-5-6-21(14)15)18-7-9-1-3-16-4-2-9/h1-6,10-12,22-23H,7-8H2,(H,17,18)/t10-,11-,12-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333228
PNG
((2S,3R,4S)-2-(8-((furan-3-ylmethyl)amino)-[1,2,4]t...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3ccoc3)nccn12
Show InChI InChI=1S/C14H15N5O3S/c20-9-7-23-11(10(9)21)13-17-18-14-12(15-2-3-19(13)14)16-5-8-1-4-22-6-8/h1-4,6,9-11,20-21H,5,7H2,(H,15,16)/t9-,10-,11-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333214
PNG
((2S,3R,4S)-2-(8-((3-(trifluoromethyl)benzyl)amino)...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3cccc(c3)C(F)(F)F)nccn12
Show InChI InChI=1S/C17H16F3N5O2S/c18-17(19,20)10-3-1-2-9(6-10)7-22-14-16-24-23-15(25(16)5-4-21-14)13-12(27)11(26)8-28-13/h1-6,11-13,26-27H,7-8H2,(H,21,22)/t11-,12-,13-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333208
PNG
((2S,3R,4S)-2-(8-(piperidin-1-yl)-[1,2,4]triazolo[4...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(nccn12)N1CCCCC1
Show InChI InChI=1S/C14H19N5O2S/c20-9-8-22-11(10(9)21)12-16-17-14-13(15-4-7-19(12)14)18-5-2-1-3-6-18/h4,7,9-11,20-21H,1-3,5-6,8H2/t9-,10-,11-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333258
PNG
((2S,3R,4S)-2-(8-hydroxy-[1,2,4]triazolo[4,3-a]pyra...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(O)nccn12
Show InChI InChI=1S/C9H10N4O3S/c14-4-3-17-6(5(4)15)7-11-12-8-9(16)10-1-2-13(7)8/h1-2,4-6,14-15H,3H2,(H,10,16)/t4-,5-,6-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333226
PNG
((2S,3R,4S)-2-(8-((pyridin-3-ylmethyl)amino)-[1,2,4...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3cccnc3)nccn12
Show InChI InChI=1S/C15H16N6O2S/c22-10-8-24-12(11(10)23)14-19-20-15-13(17-4-5-21(14)15)18-7-9-2-1-3-16-6-9/h1-6,10-12,22-23H,7-8H2,(H,17,18)/t10-,11-,12-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333232
PNG
((2S,3R,4S)-2-(8-((2-phenylcyclopropyl)amino)-[1,2,...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NC3CC3c3ccccc3)nccn12
Show InChI InChI=1S/C18H19N5O2S/c24-13-9-26-15(14(13)25)17-21-22-18-16(19-6-7-23(17)18)20-12-8-11(12)10-4-2-1-3-5-10/h1-7,11-15,24-25H,8-9H2,(H,19,20)/t11?,12?,13-,14-,15-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333243
PNG
((2S,3R,4R)-2-(8-((3-iodobenzyl)amino)-[1,2,4]triaz...)
Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)c1nnc2c(NCc3cccc(I)c3)nccn12
Show InChI InChI=1S/C16H16IN5O3/c17-10-3-1-2-9(6-10)7-19-14-16-21-20-15(22(16)5-4-18-14)13-12(24)11(23)8-25-13/h1-6,11-13,23-24H,7-8H2,(H,18,19)/t11-,12-,13-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333262
PNG
((2S,3R,4S)-2-(8-((thiophen-2-ylmethyl)amino)-[1,2,...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3cccs3)nccn12
Show InChI InChI=1S/C14H15N5O2S2/c20-9-7-23-11(10(9)21)13-17-18-14-12(15-3-4-19(13)14)16-6-8-2-1-5-22-8/h1-5,9-11,20-21H,6-7H2,(H,15,16)/t9-,10-,11-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333211
PNG
((2S,3R,4S)-2-(8-((3-iodobenzyl)amino)-[1,2,4]triaz...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3cccc(I)c3)nccn12
Show InChI InChI=1S/C16H16IN5O2S/c17-10-3-1-2-9(6-10)7-19-14-16-21-20-15(22(16)5-4-18-14)13-12(24)11(23)8-25-13/h1-6,11-13,23-24H,7-8H2,(H,18,19)/t11-,12-,13-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333217
PNG
((2S,3R,4S)-2-(8-((3-methylbenzyl)amino)-[1,2,4]tri...)
Show SMILES Cc1cccc(CNc2nccn3c(nnc23)[C@@H]2SC[C@@H](O)[C@H]2O)c1
Show InChI InChI=1S/C17H19N5O2S/c1-10-3-2-4-11(7-10)8-19-15-17-21-20-16(22(17)6-5-18-15)14-13(24)12(23)9-25-14/h2-7,12-14,23-24H,8-9H2,1H3,(H,18,19)/t12-,13-,14-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333247
PNG
((2S,3R,4S)-2-(8-(morpholinoamino)-[1,2,4]triazolo[...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NN3CCOCC3)nccn12
Show InChI InChI=1S/C13H18N6O3S/c20-8-7-23-10(9(8)21)12-15-16-13-11(14-1-2-19(12)13)17-18-3-5-22-6-4-18/h1-2,8-10,20-21H,3-7H2,(H,14,17)/t8-,9-,10-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333212
PNG
((2S,3R,4S)-2-(8-((cyclopropylmethyl)amino)-[1,2,4]...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCC3CC3)nccn12
Show InChI InChI=1S/C13H17N5O2S/c19-8-6-21-10(9(8)20)12-16-17-13-11(14-3-4-18(12)13)15-5-7-1-2-7/h3-4,7-10,19-20H,1-2,5-6H2,(H,14,15)/t8-,9-,10-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333221
PNG
(3-(((3-((2S,3R,4S)-3,4-dihydroxytetrahydrothiophen...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3cccc(c3)C#N)nccn12
Show InChI InChI=1S/C17H16N6O2S/c18-7-10-2-1-3-11(6-10)8-20-15-17-22-21-16(23(17)5-4-19-15)14-13(25)12(24)9-26-14/h1-6,12-14,24-25H,8-9H2,(H,19,20)/t12-,13-,14-/m1/s1
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US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333239
PNG
(3-chloro-N-(3-((2S,3R,4S)-3,4-dihydroxytetrahydrot...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NS(=O)(=O)c3cccc(Cl)c3)nccn12
Show InChI InChI=1S/C15H14ClN5O4S2/c16-8-2-1-3-9(6-8)27(24,25)20-13-15-19-18-14(21(15)5-4-17-13)12-11(23)10(22)7-26-12/h1-6,10-12,22-23H,7H2,(H,17,20)/t10-,11-,12-/m1/s1
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US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333174
PNG
((2S,3R,4S)-2-(8-((3-chlorobenzyl)amino)-[1,2,4]tri...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3cccc(Cl)c3)nccn12
Show InChI InChI=1S/C16H16ClN5O2S/c17-10-3-1-2-9(6-10)7-19-14-16-21-20-15(22(16)5-4-18-14)13-12(24)11(23)8-25-13/h1-6,11-13,23-24H,7-8H2,(H,18,19)/t11-,12-,13-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333216
PNG
((2S,3R,4S)-2-(8-(phenethylamino)-[1,2,4]triazolo[4...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCCc3ccccc3)nccn12
Show InChI InChI=1S/C17H19N5O2S/c23-12-10-25-14(13(12)24)16-20-21-17-15(19-8-9-22(16)17)18-7-6-11-4-2-1-3-5-11/h1-5,8-9,12-14,23-24H,6-7,10H2,(H,18,19)/t12-,13-,14-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333230
PNG
((2S,3R,4S)-2-(8-((3-bromophenethyl)amino)-[1,2,4]t...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCCc3cccc(Br)c3)nccn12
Show InChI InChI=1S/C17H18BrN5O2S/c18-11-3-1-2-10(8-11)4-5-19-15-17-22-21-16(23(17)7-6-20-15)14-13(25)12(24)9-26-14/h1-3,6-8,12-14,24-25H,4-5,9H2,(H,19,20)/t12-,13-,14-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333215
PNG
((2S,3R,4S)-2-(8-((thiophen-3-ylmethyl)amino)-[1,2,...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3ccsc3)nccn12
Show InChI InChI=1S/C14H15N5O2S2/c20-9-7-23-11(10(9)21)13-17-18-14-12(15-2-3-19(13)14)16-5-8-1-4-22-6-8/h1-4,6,9-11,20-21H,5,7H2,(H,15,16)/t9-,10-,11-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333237
PNG
((2S,3R,4S)-2-(8-(isopentylamino)-[1,2,4]triazolo[4...)
Show SMILES CC(C)CCNc1nccn2c(nnc12)[C@@H]1SC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C14H21N5O2S/c1-8(2)3-4-15-12-14-18-17-13(19(14)6-5-16-12)11-10(21)9(20)7-22-11/h5-6,8-11,20-21H,3-4,7H2,1-2H3,(H,15,16)/t9-,10-,11-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333254
PNG
((2S,3R,4S)-2-(8-((4-iodobenzyl)amino)-[1,2,4]triaz...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3ccc(I)cc3)nccn12
Show InChI InChI=1S/C16H16IN5O2S/c17-10-3-1-9(2-4-10)7-19-14-16-21-20-15(22(16)6-5-18-14)13-12(24)11(23)8-25-13/h1-6,11-13,23-24H,7-8H2,(H,18,19)/t11-,12-,13-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333238
PNG
((2S,3R,4S)-2-(8-((2-morpholinoethyl)amino)-[1,2,4]...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCCN3CCOCC3)nccn12
Show InChI InChI=1S/C15H22N6O3S/c22-10-9-25-12(11(10)23)14-18-19-15-13(17-2-4-21(14)15)16-1-3-20-5-7-24-8-6-20/h2,4,10-12,22-23H,1,3,5-9H2,(H,16,17)/t10-,11-,12-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333240
PNG
((2S,3R,4R)-2-(8-((3-chlorobenzyl)amino)-[1,2,4]tri...)
Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)c1nnc2c(NCc3cccc(Cl)c3)nccn12
Show InChI InChI=1S/C16H16ClN5O3/c17-10-3-1-2-9(6-10)7-19-14-16-21-20-15(22(16)5-4-18-14)13-12(24)11(23)8-25-13/h1-6,11-13,23-24H,7-8H2,(H,18,19)/t11-,12-,13-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333210
PNG
((2S,3R,4S)-2-(8-(benzylamino)-[1,2,4]triazolo[4,3-...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3ccccc3)nccn12
Show InChI InChI=1S/C16H17N5O2S/c22-11-9-24-13(12(11)23)15-19-20-16-14(17-6-7-21(15)16)18-8-10-4-2-1-3-5-10/h1-7,11-13,22-23H,8-9H2,(H,17,18)/t11-,12-,13-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333244
PNG
((2S,3R,4R)-2-(8-((3-chlorophenethyl)amino)-[1,2,4]...)
Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)c1nnc2c(NCCc3cccc(Cl)c3)nccn12
Show InChI InChI=1S/C17H18ClN5O3/c18-11-3-1-2-10(8-11)4-5-19-15-17-22-21-16(23(17)7-6-20-15)14-13(25)12(24)9-26-14/h1-3,6-8,12-14,24-25H,4-5,9H2,(H,19,20)/t12-,13-,14-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333250
PNG
((2S,3R,4S)-2-(8-(((S)-1-(3-chlorophenyl)ethyl)amin...)
Show SMILES C[C@H](Nc1nccn2c(nnc12)[C@@H]1SC[C@@H](O)[C@H]1O)c1cccc(Cl)c1
Show InChI InChI=1S/C17H18ClN5O2S/c1-9(10-3-2-4-11(18)7-10)20-15-17-22-21-16(23(17)6-5-19-15)14-13(25)12(24)8-26-14/h2-7,9,12-14,24-25H,8H2,1H3,(H,19,20)/t9-,12+,13+,14+/m0/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333252
PNG
((2S,3R,4S)-2-(8-((2-chlorobenzyl)amino)-[1,2,4]tri...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3ccccc3Cl)nccn12
Show InChI InChI=1S/C16H16ClN5O2S/c17-10-4-2-1-3-9(10)7-19-14-16-21-20-15(22(16)6-5-18-14)13-12(24)11(23)8-25-13/h1-6,11-13,23-24H,7-8H2,(H,18,19)/t11-,12-,13-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333209
PNG
((2S,3R,4S)-2-(8-morpholino-[1,2,4]triazolo[4,3-a]p...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(nccn12)N1CCOCC1
Show InChI InChI=1S/C13H17N5O3S/c19-8-7-22-10(9(8)20)11-15-16-13-12(14-1-2-18(11)13)17-3-5-21-6-4-17/h1-2,8-10,19-20H,3-7H2/t8-,9-,10-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333219
PNG
((2S,3R,4S)-2-(8-((3-(trifluoromethoxy)benzyl)amino...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3cccc(OC(F)(F)F)c3)nccn12
Show InChI InChI=1S/C17H16F3N5O3S/c18-17(19,20)28-10-3-1-2-9(6-10)7-22-14-16-24-23-15(25(16)5-4-21-14)13-12(27)11(26)8-29-13/h1-6,11-13,26-27H,7-8H2,(H,21,22)/t11-,12-,13-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333223
PNG
((2S,3R,4S)-2-(8-((cyclohexylmethyl)amino)-[1,2,4]t...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCC3CCCCC3)nccn12
Show InChI InChI=1S/C16H23N5O2S/c22-11-9-24-13(12(11)23)15-19-20-16-14(17-6-7-21(15)16)18-8-10-4-2-1-3-5-10/h6-7,10-13,22-23H,1-5,8-9H2,(H,17,18)/t11-,12-,13-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333229
PNG
((2S,3R,4S)-2-(8-((3-chlorophenethyl)amino)-[1,2,4]...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCCc3cccc(Cl)c3)nccn12
Show InChI InChI=1S/C17H18ClN5O2S/c18-11-3-1-2-10(8-11)4-5-19-15-17-22-21-16(23(17)7-6-20-15)14-13(25)12(24)9-26-14/h1-3,6-8,12-14,24-25H,4-5,9H2,(H,19,20)/t12-,13-,14-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333235
PNG
((2S,3R,4S)-2-(8-((3-chlorophenyl)ethynyl)-[1,2,4]t...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(nccn12)C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C17H13ClN4O2S/c18-11-3-1-2-10(8-11)4-5-12-16-20-21-17(22(16)7-6-19-12)15-14(24)13(23)9-25-15/h1-3,6-8,13-15,23-24H,9H2/t13-,14-,15-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333242
PNG
((2S,3R,4S)-2-(8-amino-[1,2,4]triazolo[4,3-a]pyrazi...)
Show SMILES Nc1nccn2c(nnc12)[C@@H]1SC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C9H11N5O2S/c10-7-9-13-12-8(14(9)2-1-11-7)6-5(16)4(15)3-17-6/h1-2,4-6,15-16H,3H2,(H2,10,11)/t4-,5-,6-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333257
PNG
((2S,3R,4S)-2-(8-((2-(dimethylamino)ethyl)(methyl)a...)
Show SMILES CN(C)CCN(C)c1nccn2c(nnc12)[C@@H]1SC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C14H22N6O2S/c1-18(2)6-7-19(3)13-14-17-16-12(20(14)5-4-15-13)11-10(22)9(21)8-23-11/h4-5,9-11,21-22H,6-8H2,1-3H3/t9-,10-,11-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333213
PNG
((2S,3R,4S)-2-(8-(cyclobutylamino)-[1,2,4]triazolo[...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NC3CCC3)nccn12
Show InChI InChI=1S/C13H17N5O2S/c19-8-6-21-10(9(8)20)12-16-17-13-11(14-4-5-18(12)13)15-7-2-1-3-7/h4-5,7-10,19-20H,1-3,6H2,(H,14,15)/t8-,9-,10-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333234
PNG
((2S,3R,4S)-2-(8-((1-(3-chlorophenyl)cyclopropyl)am...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NC3(CC3)c3cccc(Cl)c3)nccn12
Show InChI InChI=1S/C18H18ClN5O2S/c19-11-3-1-2-10(8-11)18(4-5-18)21-15-17-23-22-16(24(17)7-6-20-15)14-13(26)12(25)9-27-14/h1-3,6-8,12-14,25-26H,4-5,9H2,(H,20,21)/t12-,13-,14-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333248
PNG
((2S,3R,4S)-2-(8-(((1S,2R)-2-phenylcyclopropyl)amin...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(N[C@H]3C[C@@H]3c3ccccc3)nccn12
Show InChI InChI=1S/C18H19N5O2S/c24-13-9-26-15(14(13)25)17-21-22-18-16(19-6-7-23(17)18)20-12-8-11(12)10-4-2-1-3-5-10/h1-7,11-15,24-25H,8-9H2,(H,19,20)/t11-,12+,13-,14-,15-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333264
PNG
((2S,3R,4S)-2-(8-((3,4-dichlorobenzyl)amino)-[1,2,4...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3ccc(Cl)c(Cl)c3)nccn12
Show InChI InChI=1S/C16H15Cl2N5O2S/c17-9-2-1-8(5-10(9)18)6-20-14-16-22-21-15(23(16)4-3-19-14)13-12(25)11(24)7-26-13/h1-5,11-13,24-25H,6-7H2,(H,19,20)/t11-,12-,13-/m1/s1
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HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333207
PNG
((2S,3R,4S)-2-(8-(methylamino)-[1,2,4]triazolo[4,3-...)
Show SMILES CNc1nccn2c(nnc12)[C@@H]1SC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O2S/c1-11-8-10-14-13-9(15(10)3-2-12-8)7-6(17)5(16)4-18-7/h2-3,5-7,16-17H,4H2,1H3,(H,11,12)/t5-,6-,7-/m1/s1
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550n/an/an/an/an/an/an/an/a



HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333218
PNG
((2S,3R,4S)-2-(8-((3-fluorobenzyl)amino)-[1,2,4]tri...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3cccc(F)c3)nccn12
Show InChI InChI=1S/C16H16FN5O2S/c17-10-3-1-2-9(6-10)7-19-14-16-21-20-15(22(16)5-4-18-14)13-12(24)11(23)8-25-13/h1-6,11-13,23-24H,7-8H2,(H,18,19)/t11-,12-,13-/m1/s1
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550n/an/an/an/an/an/an/an/a



HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333265
PNG
((2S,3R,4S)-2-(8-((2,4-dichlorobenzyl)amino)-[1,2,4...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3ccc(Cl)cc3Cl)nccn12
Show InChI InChI=1S/C16H15Cl2N5O2S/c17-9-2-1-8(10(18)5-9)6-20-14-16-22-21-15(23(16)4-3-19-14)13-12(25)11(24)7-26-13/h1-5,11-13,24-25H,6-7H2,(H,19,20)/t11-,12-,13-/m1/s1
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550n/an/an/an/an/an/an/an/a



HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333249
PNG
(2-chloro-4-(((3-((2S,3R,4S)-3,4-dihydroxytetrahydr...)
Show SMILES CNC(=O)c1ccc(CNc2nccn3c(nnc23)[C@@H]2SC[C@@H](O)[C@H]2O)cc1Cl
Show InChI InChI=1S/C18H19ClN6O3S/c1-20-18(28)10-3-2-9(6-11(10)19)7-22-15-17-24-23-16(25(17)5-4-21-15)14-13(27)12(26)8-29-14/h2-6,12-14,26-27H,7-8H2,1H3,(H,20,28)(H,21,22)/t12-,13-,14-/m1/s1
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550n/an/an/an/an/an/an/an/a



HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333256
PNG
((2S,3R,4S)-2-(8-((2-(piperidin-1-yl)ethyl)amino)-[...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCCN3CCCCC3)nccn12
Show InChI InChI=1S/C16H24N6O2S/c23-11-10-25-13(12(11)24)15-19-20-16-14(18-5-9-22(15)16)17-4-8-21-6-2-1-3-7-21/h5,9,11-13,23-24H,1-4,6-8,10H2,(H,17,18)/t11-,12-,13-/m1/s1
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550n/an/an/an/an/an/an/an/a



HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333220
PNG
((2S,3R,4S)-2-(8-((3-methoxybenzyl)amino)-[1,2,4]tr...)
Show SMILES COc1cccc(CNc2nccn3c(nnc23)[C@@H]2SC[C@@H](O)[C@H]2O)c1
Show InChI InChI=1S/C17H19N5O3S/c1-25-11-4-2-3-10(7-11)8-19-15-17-21-20-16(22(17)6-5-18-15)14-13(24)12(23)9-26-14/h2-7,12-14,23-24H,8-9H2,1H3,(H,18,19)/t12-,13-,14-/m1/s1
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550n/an/an/an/an/an/an/an/a



HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333236
PNG
((2S,3R,4S)-2-(8-(cyclopropylamino)-[1,2,4]triazolo...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NC3CC3)nccn12
Show InChI InChI=1S/C12H15N5O2S/c18-7-5-20-9(8(7)19)11-15-16-12-10(14-6-1-2-6)13-3-4-17(11)12/h3-4,6-9,18-19H,1-2,5H2,(H,13,14)/t7-,8-,9-/m1/s1
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550n/an/an/an/an/an/an/an/a



HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333241
PNG
((2S,3R,4S)-2-(8-((imidazo[1,2-a]pyridin-2-ylmethyl...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3cn4ccccc4n3)nccn12
Show InChI InChI=1S/C17H17N7O2S/c25-11-9-27-14(13(11)26)16-21-22-17-15(18-4-6-24(16)17)19-7-10-8-23-5-2-1-3-12(23)20-10/h1-6,8,11,13-14,25-26H,7,9H2,(H,18,19)/t11-,13-,14-/m1/s1
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550n/an/an/an/an/an/an/an/a



HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%