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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))
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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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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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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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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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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
More data for this
Ligand-Target Pair
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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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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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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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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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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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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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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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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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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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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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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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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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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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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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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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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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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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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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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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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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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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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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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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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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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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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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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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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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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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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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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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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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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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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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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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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333233
PNG
((2S,3R,4S)-2-(8-((2-(3-chlorophenyl)propan-2-yl)am...)
Show SMILES CC(C)(Nc1nccn2c(nnc12)[C@@H]1SC[C@@H](O)[C@H]1O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H20ClN5O2S/c1-18(2,10-4-3-5-11(19)8-10)21-15-17-23-22-16(24(17)7-6-20-15)14-13(26)12(25)9-27-14/h3-8,12-14,25-26H,9H2,1-2H3,(H,20,21)/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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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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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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333225
PNG
((2S,3R,4S)-2-(8-(cyclohexylamino)-[1,2,4]triazolo[...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NC3CCCCC3)nccn12
Show InChI InChI=1S/C15H21N5O2S/c21-10-8-23-12(11(10)22)14-18-19-15-13(16-6-7-20(14)15)17-9-4-2-1-3-5-9/h6-7,9-12,21-22H,1-5,8H2,(H,16,17)/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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333222
PNG
((2S,3R,4S)-2-(8-((3-bromobenzyl)amino)-[1,2,4]tria...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3cccc(Br)c3)nccn12
Show InChI InChI=1S/C16H16BrN5O2S/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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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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333245
PNG
(4-(((3-((2S,3R,4S)-3,4-dihydroxytetrahydrothiophen...)
Show SMILES CNC(=O)c1ccc(CNc2nccn3c(nnc23)[C@@H]2SC[C@@H](O)[C@H]2O)cc1F
Show InChI InChI=1S/C18H19FN6O3S/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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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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333224
PNG
((2S,3R,4S)-2-(8-(cyclopentylamino)-[1,2,4]triazolo...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NC3CCCC3)nccn12
Show InChI InChI=1S/C14H19N5O2S/c20-9-7-22-11(10(9)21)13-17-18-14-12(15-5-6-19(13)14)16-8-3-1-2-4-8/h5-6,8-11,20-21H,1-4,7H2,(H,15,16)/t9-,10-,11-/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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333263
PNG
((2S,3R,4S)-2-(8-((2,3-dichlorobenzyl)amino)-[1,2,4...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3cccc(Cl)c3Cl)nccn12
Show InChI InChI=1S/C16H15Cl2N5O2S/c17-9-3-1-2-8(11(9)18)6-20-14-16-22-21-15(23(16)5-4-19-14)13-12(25)10(24)7-26-13/h1-5,10,12-13,24-25H,6-7H2,(H,19,20)/t10-,12-,13-/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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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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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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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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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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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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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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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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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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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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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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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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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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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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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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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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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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
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)


Article DOI: 10.1016/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2DJ5HQC
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%