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Patent code US10858365

Compile Data Set for Download or QSAR

Found 518 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM474287
PNG
(2-((3-(difluoromethoxy)pyridin-2-yl)methyl)-7- (4-...)
Show SMILES Nc1nc(-c2ccc(F)cc2)c(-c2ccc3nncn3c2)c2nc(Cc3ncccc3OC(F)F)nn12
Show InChI InChI=1S/C24H16F3N9O/c25-15-6-3-13(4-7-15)21-20(14-5-8-19-33-30-12-35(19)11-14)22-31-18(34-36(22)24(28)32-21)10-16-17(37-23(26)27)2-1-9-29-16/h1-9,11-12,23H,10H2,(H2,28,32)
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TBA

US Patent


Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM474233
PNG
(5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoropyrid in...)
Show SMILES CC(C)n1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1
Show InChI InChI=1S/C25H21F2N7O/c1-14(2)33-13-16(7-10-21(33)35)22-23(15-5-8-17(26)9-6-15)31-25(28)34-24(22)30-20(32-34)12-19-18(27)4-3-11-29-19/h3-11,13-14H,12H2,1-2H3,(H2,28,31)
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TBA

US Patent


Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM474315
PNG
(7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a] pyrid...)
Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(CC3CCOC3)nc12)-c1ccc(F)cc1
Show InChI InChI=1S/C24H22FN7O/c1-14-11-27-20-7-4-17(12-31(14)20)21-22(16-2-5-18(25)6-3-16)29-24(26)32-23(21)28-19(30-32)10-15-8-9-33-13-15/h2-7,11-12,15H,8-10,13H2,1H3,(H2,26,29)
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TBA

US Patent


Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM474337
PNG
(7-(azetidin-l-yl)-2-(2,6-difluorobenzyl)-8-(3-met ...)
Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)N1CCC1
Show InChI InChI=1S/C23H20F2N8/c1-13-11-27-19-7-6-14(12-32(13)19)20-21(31-8-3-9-31)29-23(26)33-22(20)28-18(30-33)10-15-16(24)4-2-5-17(15)25/h2,4-7,11-12H,3,8-10H2,1H3,(H2,26,29)
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TBA

US Patent


Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM474316
PNG
(7-(4-fluorophenyl)-8-(3-methylimidazo[l,2-a] pyrid...)
Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(C[C@H]3CCOC3)nc12)-c1ccc(F)cc1
Show InChI InChI=1S/C24H22FN7O/c1-14-11-27-20-7-4-17(12-31(14)20)21-22(16-2-5-18(25)6-3-16)29-24(26)32-23(21)28-19(30-32)10-15-8-9-33-13-15/h2-7,11-12,15H,8-10,13H2,1H3,(H2,26,29)/t15-/m1/s1
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TBA

US Patent


Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptors; A2a & A2b


(Homo sapiens (Human))
BDBM474223
PNG
(2-(2,6-difluorobenzyl)-8-(2-(dimethylamino) pyridi...)
Show SMILES CN(C)c1cc(ccn1)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ccc(F)cc1
Show InChI InChI=1S/C25H20F3N7/c1-34(2)21-12-15(10-11-30-21)22-23(14-6-8-16(26)9-7-14)32-25(29)35-24(22)31-20(33-35)13-17-18(27)4-3-5-19(17)28/h3-12H,13H2,1-2H3,(H2,29,32)
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TBA

US Patent


Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM474284
PNG
(7-(4-fluorophenyl)-2-((3-fluoropyridin-2-yl) methy...)
Show SMILES Cn1cnc2ccc(cc12)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1
Show InChI InChI=1S/C25H18F2N8/c1-34-13-30-18-9-6-15(11-20(18)34)22-23(14-4-7-16(26)8-5-14)32-25(28)35-24(22)31-21(33-35)12-19-17(27)3-2-10-29-19/h2-11,13H,12H2,1H3,(H2,28,32)
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TBA

US Patent


Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM474334
PNG
(2-(2,6-difluorobenzyl)-8-(3-methylimidazo[l,2-a] p...)
Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)N1CCOCC1
Show InChI InChI=1S/C24H22F2N8O/c1-14-12-28-20-6-5-15(13-33(14)20)21-22(32-7-9-35-10-8-32)30-24(27)34-23(21)29-19(31-34)11-16-17(25)3-2-4-18(16)26/h2-6,12-13H,7-11H2,1H3,(H2,27,30)
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TBA

US Patent


Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM474329
PNG
(7-(3-fluoro-1H-pyrazol-1-yl)-2-((3-fluoropyridin- ...)
Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-n1ccc(F)n1
Show InChI InChI=1S/C22H16F2N10/c1-12-10-27-18-5-4-13(11-32(12)18)19-20(33-8-6-16(24)30-33)29-22(25)34-21(19)28-17(31-34)9-15-14(23)3-2-7-26-15/h2-8,10-11H,9H2,1H3,(H2,25,29)
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Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM474318
PNG
(8-(3-methylimidazo[l,2-a]pyridin-6-yl)-7-(oxazo l-...)
Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(C[C@H]3CCCO3)nc12)-c1ncco1
Show InChI InChI=1S/C21H20N8O2/c1-12-10-24-16-5-4-13(11-28(12)16)17-18(20-23-6-8-31-20)26-21(22)29-19(17)25-15(27-29)9-14-3-2-7-30-14/h4-6,8,10-11,14H,2-3,7,9H2,1H3,(H2,22,26)/t14-/m1/s1
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TBA

US Patent


Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM474223
PNG
(2-(2,6-difluorobenzyl)-8-(2-(dimethylamino) pyridi...)
Show SMILES CN(C)c1cc(ccn1)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ccc(F)cc1
Show InChI InChI=1S/C25H20F3N7/c1-34(2)21-12-15(10-11-30-21)22-23(14-6-8-16(26)9-7-14)32-25(29)35-24(22)31-20(33-35)13-17-18(27)4-3-5-19(17)28/h3-12H,13H2,1-2H3,(H2,29,32)
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Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM474330
PNG
(7-(4-fluoro-1H-pyrazol-1-yl)-2-((3-fluoropyridin- ...)
Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-n1cc(F)cn1
Show InChI InChI=1S/C22H16F2N10/c1-12-8-27-18-5-4-13(10-32(12)18)19-20(33-11-14(23)9-28-33)30-22(25)34-21(19)29-17(31-34)7-16-15(24)3-2-6-26-16/h2-6,8-11H,7H2,1H3,(H2,25,30)
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US Patent


Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM474222
PNG
(5-(5-amino-2-(2,6-difluorobenzyl)-7-(4- fluorophen...)
Show SMILES Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ccc(F)cc1
Show InChI InChI=1S/C24H17F3N6O/c1-32-12-14(7-10-20(32)34)21-22(13-5-8-15(25)9-6-13)30-24(28)33-23(21)29-19(31-33)11-16-17(26)3-2-4-18(16)27/h2-10,12H,11H2,1H3,(H2,28,30)
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Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM474281
PNG
(7-(4-fluorophenyl)-2-((3-fluoropyridin-2-yl) methy...)
Show SMILES Nc1nc(-c2ccc(F)cc2)c(-c2ccc(=O)n(CCO)c2)c2nc(Cc3c(F)cccc3F)nn12
Show InChI InChI=1S/C25H19F3N6O2/c26-16-7-4-14(5-8-16)23-22(15-6-9-21(36)33(13-15)10-11-35)24-30-20(32-34(24)25(29)31-23)12-17-18(27)2-1-3-19(17)28/h1-9,13,35H,10-12H2,(H2,29,31)
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Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Mus musculus)
BDBM474329
PNG
(7-(3-fluoro-1H-pyrazol-1-yl)-2-((3-fluoropyridin- ...)
Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-n1ccc(F)n1
Show InChI InChI=1S/C22H16F2N10/c1-12-10-27-18-5-4-13(11-32(12)18)19-20(33-8-6-16(24)30-33)29-22(25)34-21(19)28-17(31-34)9-15-14(23)3-2-7-26-15/h2-8,10-11H,9H2,1H3,(H2,25,29)
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Assay Description
hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1104 cells/well into 384-well polystyrene plates one day before starting the experimen...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM474328
PNG
(7-(4-fluorophenyl)-2-(2-methoxyethyl)-8-(3-met hyl...)
Show SMILES COCCc1nc2c(-c3ccc4ncc(C)n4c3)c(nc(N)n2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H20FN7O/c1-13-11-25-18-8-5-15(12-29(13)18)19-20(14-3-6-16(23)7-4-14)27-22(24)30-21(19)26-17(28-30)9-10-31-2/h3-8,11-12H,9-10H2,1-2H3,(H2,24,27)
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Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Mus musculus)
BDBM474284
PNG
(7-(4-fluorophenyl)-2-((3-fluoropyridin-2-yl) methy...)
Show SMILES Cn1cnc2ccc(cc12)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1
Show InChI InChI=1S/C25H18F2N8/c1-34-13-30-18-9-6-15(11-20(18)34)22-23(14-4-7-16(26)8-5-14)32-25(28)35-24(22)31-21(33-35)12-19-17(27)3-2-10-29-19/h2-11,13H,12H2,1H3,(H2,28,32)
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Assay Description
hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1104 cells/well into 384-well polystyrene plates one day before starting the experimen...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM474335
PNG
((S)-7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a] p...)
Show SMILES CN1CCC[C@H]1Cc1nc2c(-c3ccc4ncc(C)n4c3)c(nc(N)n2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H25FN8/c1-15-13-28-21-10-7-17(14-33(15)21)22-23(16-5-8-18(26)9-6-16)30-25(27)34-24(22)29-20(31-34)12-19-4-3-11-32(19)2/h5-10,13-14,19H,3-4,11-12H2,1-2H3,(H2,27,30)/t19-/m0/s1
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Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM474300
PNG
(7-(4-fluorophenyl)-2-((3-fluoropyridin-2-yl) methy...)
Show SMILES Nc1nc(-c2ccc(F)cc2)c(-c2ccc3ncccc3c2)c2nc(Cc3ncccc3F)nn12
Show InChI InChI=1S/C26H17F2N7/c27-18-8-5-15(6-9-18)24-23(17-7-10-20-16(13-17)3-1-11-30-20)25-32-22(34-35(25)26(29)33-24)14-21-19(28)4-2-12-31-21/h1-13H,14H2,(H2,29,33)
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US Patent


Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Mus musculus)
BDBM474287
PNG
(2-((3-(difluoromethoxy)pyridin-2-yl)methyl)-7- (4-...)
Show SMILES Nc1nc(-c2ccc(F)cc2)c(-c2ccc3nncn3c2)c2nc(Cc3ncccc3OC(F)F)nn12
Show InChI InChI=1S/C24H16F3N9O/c25-15-6-3-13(4-7-15)21-20(14-5-8-19-33-30-12-35(19)11-14)22-31-18(34-36(22)24(28)32-21)10-16-17(37-23(26)27)2-1-9-29-16/h1-9,11-12,23H,10H2,(H2,28,32)
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US Patent


Assay Description
hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1104 cells/well into 384-well polystyrene plates one day before starting the experimen...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Mus musculus)
BDBM474328
PNG
(7-(4-fluorophenyl)-2-(2-methoxyethyl)-8-(3-met hyl...)
Show SMILES COCCc1nc2c(-c3ccc4ncc(C)n4c3)c(nc(N)n2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H20FN7O/c1-13-11-25-18-8-5-15(12-29(13)18)19-20(14-3-6-16(23)7-4-14)27-22(24)30-21(19)26-17(28-30)9-10-31-2/h3-8,11-12H,9-10H2,1-2H3,(H2,24,27)
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US Patent


Assay Description
hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1104 cells/well into 384-well polystyrene plates one day before starting the experimen...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM474336
PNG
(2-(2,6-difluorobenzyl)-8-(3-methylimidazo[l,2-a] p...)
Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)N1CCCC1
Show InChI InChI=1S/C24H22F2N8/c1-14-12-28-20-8-7-15(13-33(14)20)21-22(32-9-2-3-10-32)30-24(27)34-23(21)29-19(31-34)11-16-17(25)5-4-6-18(16)26/h4-8,12-13H,2-3,9-11H2,1H3,(H2,27,30)
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US Patent


Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptors; A2a & A2b


(Homo sapiens (Human))
BDBM474230
PNG
(5-(5-amino-7-(4-fluorophenyl)-2-((3-fluoropyrid in...)
Show SMILES CCn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1
Show InChI InChI=1S/C24H19F2N7O/c1-2-32-13-15(7-10-20(32)34)21-22(14-5-8-16(25)9-6-14)30-24(27)33-23(21)29-19(31-33)12-18-17(26)4-3-11-28-18/h3-11,13H,2,12H2,1H3,(H2,27,30)
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US Patent


Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Mus musculus)
BDBM474223
PNG
(2-(2,6-difluorobenzyl)-8-(2-(dimethylamino) pyridi...)
Show SMILES CN(C)c1cc(ccn1)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ccc(F)cc1
Show InChI InChI=1S/C25H20F3N7/c1-34(2)21-12-15(10-11-30-21)22-23(14-6-8-16(26)9-7-14)32-25(29)35-24(22)31-20(33-35)13-17-18(27)4-3-5-19(17)28/h3-12H,13H2,1-2H3,(H2,29,32)
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US Patent


Assay Description
hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1104 cells/well into 384-well polystyrene plates one day before starting the experimen...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM474338
PNG
((R)-7-(4-fluorophenyl)-8-(3-methylimidazo[l,2- a]p...)
Show SMILES CN1CCC[C@@H]1Cc1nc2c(-c3ccc4ncc(C)n4c3)c(nc(N)n2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H25FN8/c1-15-13-28-21-10-7-17(14-33(15)21)22-23(16-5-8-18(26)9-6-16)30-25(27)34-24(22)29-20(31-34)12-19-4-3-11-32(19)2/h5-10,13-14,19H,3-4,11-12H2,1-2H3,(H2,27,30)/t19-/m1/s1
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US Patent


Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM474319
PNG
(8-(3-methylimidazo[l,2-a]pyridin-6-yl)-7-(oxazo l-...)
Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(C[C@@H]3CCOC3)nc12)-c1ncco1
Show InChI InChI=1S/C21H20N8O2/c1-12-9-24-16-3-2-14(10-28(12)16)17-18(20-23-5-7-31-20)26-21(22)29-19(17)25-15(27-29)8-13-4-6-30-11-13/h2-3,5,7,9-10,13H,4,6,8,11H2,1H3,(H2,22,26)/t13-/m0/s1
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US Patent


Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM474320
PNG
(8-(3-methylimidazo[l,2-a]pyridin-6-yl)-7-(oxazo l-...)
Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(C[C@H]3CCOC3)nc12)-c1ncco1
Show InChI InChI=1S/C21H20N8O2/c1-12-9-24-16-3-2-14(10-28(12)16)17-18(20-23-5-7-31-20)26-21(22)29-19(17)25-15(27-29)8-13-4-6-30-11-13/h2-3,5,7,9-10,13H,4,6,8,11H2,1H3,(H2,22,26)/t13-/m1/s1
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US Patent


Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Mus musculus)
BDBM474330
PNG
(7-(4-fluoro-1H-pyrazol-1-yl)-2-((3-fluoropyridin- ...)
Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-n1cc(F)cn1
Show InChI InChI=1S/C22H16F2N10/c1-12-8-27-18-5-4-13(10-32(12)18)19-20(33-11-14(23)9-28-33)30-22(25)34-21(19)29-17(31-34)7-16-15(24)3-2-6-26-16/h2-6,8-11H,7H2,1H3,(H2,25,30)
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US Patent


Assay Description
hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1104 cells/well into 384-well polystyrene plates one day before starting the experimen...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM474317
PNG
(8-(3-methyiimidazo[l,2-a]pyridin-6-yl)-7-(oxazo l-...)
Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(C[C@@H]3CCCO3)nc12)-c1ncco1
Show InChI InChI=1S/C21H20N8O2/c1-12-10-24-16-5-4-13(11-28(12)16)17-18(20-23-6-8-31-20)26-21(22)29-19(17)25-15(27-29)9-14-3-2-7-30-14/h4-6,8,10-11,14H,2-3,7,9H2,1H3,(H2,22,26)/t14-/m0/s1
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US Patent


Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM474309
PNG
(2-((3-fluoropyridin-2-yl)methyl)-8-(3-methylimi da...)
Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ncco1
Show InChI InChI=1S/C22H16FN9O/c1-12-10-27-17-5-4-13(11-31(12)17)18-19(21-26-7-8-33-21)29-22(24)32-20(18)28-16(30-32)9-15-14(23)3-2-6-25-15/h2-8,10-11H,9H2,1H3,(H2,24,29)
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US Patent


Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM474333
PNG
(2-(2-(dimethylamino)ethyl)-7-(4-fl uorophenyl )-8-...)
Show SMILES CN(C)CCc1nc2c(-c3ccc4ncc(C)n4c3)c(nc(N)n2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H23FN8/c1-14-12-26-19-9-6-16(13-31(14)19)20-21(15-4-7-17(24)8-5-15)28-23(25)32-22(20)27-18(29-32)10-11-30(2)3/h4-9,12-13H,10-11H2,1-3H3,(H2,25,28)
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US Patent


Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM474222
PNG
(5-(5-amino-2-(2,6-difluorobenzyl)-7-(4- fluorophen...)
Show SMILES Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ccc(F)cc1
Show InChI InChI=1S/C24H17F3N6O/c1-32-12-14(7-10-20(32)34)21-22(13-5-8-15(25)9-6-13)30-24(28)33-23(21)29-19(31-33)11-16-17(26)3-2-4-18(16)27/h2-10,12H,11H2,1H3,(H2,28,30)
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US Patent


Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Mus musculus)
BDBM474281
PNG
(7-(4-fluorophenyl)-2-((3-fluoropyridin-2-yl) methy...)
Show SMILES Nc1nc(-c2ccc(F)cc2)c(-c2ccc(=O)n(CCO)c2)c2nc(Cc3c(F)cccc3F)nn12
Show InChI InChI=1S/C25H19F3N6O2/c26-16-7-4-14(5-8-16)23-22(15-6-9-21(36)33(13-15)10-11-35)24-30-20(32-34(24)25(29)31-23)12-17-18(27)2-1-3-19(17)28/h1-9,13,35H,10-12H2,(H2,29,31)
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US Patent


Assay Description
hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1104 cells/well into 384-well polystyrene plates one day before starting the experimen...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM474292
PNG
(5-(5-am i no-2-(2,6-difluorobenzy1)-7-(oxazol-2- y...)
Show SMILES CC(C)n1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ncco1
Show InChI InChI=1S/C23H19F2N7O2/c1-12(2)31-11-13(6-7-18(31)33)19-20(22-27-8-9-34-22)29-23(26)32-21(19)28-17(30-32)10-14-15(24)4-3-5-16(14)25/h3-9,11-12H,10H2,1-2H3,(H2,26,29)
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US Patent


Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM474299
PNG
(8-(benzo[d]thiazol-6-yl)-7-(4-fluorophenyl)-2- ((3...)
Show SMILES Nc1nc(-c2ccc(F)cc2)c(-c2ccc3ncsc3c2)c2nc(Cc3ncccc3F)nn12
Show InChI InChI=1S/C24H15F2N7S/c25-15-6-3-13(4-7-15)22-21(14-5-8-17-19(10-14)34-12-29-17)23-30-20(32-33(23)24(27)31-22)11-18-16(26)2-1-9-28-18/h1-10,12H,11H2,(H2,27,31)
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Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM474233
PNG
(5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoropyrid in...)
Show SMILES CC(C)n1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1
Show InChI InChI=1S/C25H21F2N7O/c1-14(2)33-13-16(7-10-21(33)35)22-23(15-5-8-17(26)9-6-15)31-25(28)34-24(22)30-20(32-34)12-19-18(27)4-3-11-29-19/h3-11,13-14H,12H2,1-2H3,(H2,28,31)
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Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Mus musculus)
BDBM474233
PNG
(5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoropyrid in...)
Show SMILES CC(C)n1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1
Show InChI InChI=1S/C25H21F2N7O/c1-14(2)33-13-16(7-10-21(33)35)22-23(15-5-8-17(26)9-6-15)31-25(28)34-24(22)30-20(32-34)12-19-18(27)4-3-11-29-19/h3-11,13-14H,12H2,1-2H3,(H2,28,31)
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Assay Description
hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1104 cells/well into 384-well polystyrene plates one day before starting the experimen...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM474288
PNG
(2-((3-(difluoromethoxy)pyridin-2-yl)methyI)-8- (im...)
Show SMILES Nc1nc(-c2ncco2)c(-c2ccc3nncn3c2)c2nc(Cc3ncccc3OC(F)F)nn12
Show InChI InChI=1S/C21H14F2N10O2/c22-20(23)35-13-2-1-5-25-12(13)8-14-28-18-16(11-3-4-15-30-27-10-32(15)9-11)17(19-26-6-7-34-19)29-21(24)33(18)31-14/h1-7,9-10,20H,8H2,(H2,24,29)
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Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Mus musculus)
BDBM474222
PNG
(5-(5-amino-2-(2,6-difluorobenzyl)-7-(4- fluorophen...)
Show SMILES Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ccc(F)cc1
Show InChI InChI=1S/C24H17F3N6O/c1-32-12-14(7-10-20(32)34)21-22(13-5-8-15(25)9-6-13)30-24(28)33-23(21)29-19(31-33)11-16-17(26)3-2-4-18(16)27/h2-10,12H,11H2,1H3,(H2,28,30)
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Assay Description
hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1104 cells/well into 384-well polystyrene plates one day before starting the experimen...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM474230
PNG
(5-(5-amino-7-(4-fluorophenyl)-2-((3-fluoropyrid in...)
Show SMILES CCn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1
Show InChI InChI=1S/C24H19F2N7O/c1-2-32-13-15(7-10-20(32)34)21-22(14-5-8-16(25)9-6-14)30-24(27)33-23(21)29-19(31-33)12-18-17(26)4-3-11-28-18/h3-11,13H,2,12H2,1H3,(H2,27,30)
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Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Mus musculus)
BDBM474309
PNG
(2-((3-fluoropyridin-2-yl)methyl)-8-(3-methylimi da...)
Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ncco1
Show InChI InChI=1S/C22H16FN9O/c1-12-10-27-17-5-4-13(11-31(12)17)18-19(21-26-7-8-33-21)29-22(24)32-20(18)28-16(30-32)9-15-14(23)3-2-6-25-15/h2-8,10-11H,9H2,1H3,(H2,24,29)
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Assay Description
hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1104 cells/well into 384-well polystyrene plates one day before starting the experimen...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM474237
PNG
(5-(5-amino-7-(3-chlorophenyl)-2-((3-fluoropyrid in...)
Show SMILES Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C23H17ClFN7O/c1-31-12-14(7-8-19(31)33)20-21(13-4-2-5-15(24)10-13)29-23(26)32-22(20)28-18(30-32)11-17-16(25)6-3-9-27-17/h2-10,12H,11H2,1H3,(H2,26,29)
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Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM474229
PNG
(7-(4-fluorophenyl)-2-((3-fluoropyridin-2-yl) methy...)
Show SMILES Nc1nc(-c2ccc(F)cc2)c(-c2ccc3nccn3c2)c2nc(Cc3ncccc3F)nn12
Show InChI InChI=1S/C24H16F2N8/c25-16-6-3-14(4-7-16)22-21(15-5-8-20-29-10-11-33(20)13-15)23-30-19(32-34(23)24(27)31-22)12-18-17(26)2-1-9-28-18/h1-11,13H,12H2,(H2,27,31)
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Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM474223
PNG
(2-(2,6-difluorobenzyl)-8-(2-(dimethylamino) pyridi...)
Show SMILES CN(C)c1cc(ccn1)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ccc(F)cc1
Show InChI InChI=1S/C25H20F3N7/c1-34(2)21-12-15(10-11-30-21)22-23(14-6-8-16(26)9-7-14)32-25(29)35-24(22)31-20(33-35)13-17-18(27)4-3-5-19(17)28/h3-12H,13H2,1-2H3,(H2,29,32)
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US Patent


Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Mus musculus)
BDBM474292
PNG
(5-(5-am i no-2-(2,6-difluorobenzy1)-7-(oxazol-2- y...)
Show SMILES CC(C)n1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ncco1
Show InChI InChI=1S/C23H19F2N7O2/c1-12(2)31-11-13(6-7-18(31)33)19-20(22-27-8-9-34-22)29-23(26)32-21(19)28-17(30-32)10-14-15(24)4-3-5-16(14)25/h3-9,11-12H,10H2,1-2H3,(H2,26,29)
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Assay Description
hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1104 cells/well into 384-well polystyrene plates one day before starting the experimen...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM474314
PNG
((R)-7-(4-fluorophenyl)-8-(1-methyl-1H-benzo[d] imi...)
Show SMILES CN1CCC[C@@H]1Cc1nc2c(-c3ccc4ncn(C)c4c3)c(nc(N)n2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H25FN8/c1-32-11-3-4-18(32)13-21-29-24-22(16-7-10-19-20(12-16)33(2)14-28-19)23(30-25(27)34(24)31-21)15-5-8-17(26)9-6-15/h5-10,12,14,18H,3-4,11,13H2,1-2H3,(H2,27,30)/t18-/m1/s1
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Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Mus musculus)
BDBM474316
PNG
(7-(4-fluorophenyl)-8-(3-methylimidazo[l,2-a] pyrid...)
Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(C[C@H]3CCOC3)nc12)-c1ccc(F)cc1
Show InChI InChI=1S/C24H22FN7O/c1-14-11-27-20-7-4-17(12-31(14)20)21-22(16-2-5-18(25)6-3-16)29-24(26)32-23(21)28-19(30-32)10-15-8-9-33-13-15/h2-7,11-12,15H,8-10,13H2,1H3,(H2,26,29)/t15-/m1/s1
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US Patent


Assay Description
hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1104 cells/well into 384-well polystyrene plates one day before starting the experimen...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine A2a receptor


(Mus musculus)
BDBM474315
PNG
(7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a] pyrid...)
Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(CC3CCOC3)nc12)-c1ccc(F)cc1
Show InChI InChI=1S/C24H22FN7O/c1-14-11-27-20-7-4-17(12-31(14)20)21-22(16-2-5-18(25)6-3-16)29-24(26)32-23(21)28-19(30-32)10-15-8-9-33-13-15/h2-7,11-12,15H,8-10,13H2,1H3,(H2,26,29)
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US Patent


Assay Description
hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1104 cells/well into 384-well polystyrene plates one day before starting the experimen...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM474221
PNG
(8-(2,6-dimethylpyridin-4-yl)-7-(4-fluoropheny1)- 2...)
Show SMILES Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1
Show InChI InChI=1S/C23H17F2N7O/c1-31-12-14(6-9-19(31)33)20-21(13-4-7-15(24)8-5-13)29-23(26)32-22(20)28-18(30-32)11-17-16(25)3-2-10-27-17/h2-10,12H,11H2,1H3,(H2,26,29)
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n/an/a 1.10n/an/an/an/an/an/a



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US Patent


Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM474339
PNG
(2-(2-methoxyethyl)-8-(3-methylimidazo[l,2-a] pyrid...)
Show SMILES COCCc1nc2c(-c3ccc4ncc(C)n4c3)c(nc(N)n2n1)-c1ncco1
Show InChI InChI=1S/C19H18N8O2/c1-11-9-22-14-4-3-12(10-26(11)14)15-16(18-21-6-8-29-18)24-19(20)27-17(15)23-13(25-27)5-7-28-2/h3-4,6,8-10H,5,7H2,1-2H3,(H2,20,24)
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US Patent


Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...


US Patent US10858365 (2020)

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