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Patent code US10898481

Compile Data Set for Download or QSAR
Found 73 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 A1


(Homo sapiens (Human))
BDBM479527
PNG
(3-amino-5-(4-fluorophenyl)-6-(3- methyl-3H-benzo[d...)
Show SMILES CNCCOc1cccnc1CNC(=O)c1nc(-c2ccc3ncn(C)c3c2)c(nc1N)-c1ccc(F)cc1
Show InChI InChI=1S/C28H27FN8O2/c1-31-12-13-39-23-4-3-11-32-21(23)15-33-28(38)26-27(30)36-24(17-5-8-19(29)9-6-17)25(35-26)18-7-10-20-22(14-18)37(2)16-34-20/h3-11,14,16,31H,12-13,15H2,1-2H3,(H2,30,36)(H,33,38)
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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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479512
PNG
(3-amino-N-(2,6-difluorobenzyl)-6-(1- methyl-6-oxo-...)
Show SMILES Cn1nc(ccc1=O)-c1nc(C(=O)NCc2c(F)cccc2F)c(N)nc1-c1ncco1
Show InChI InChI=1S/C20H15F2N7O3/c1-29-14(30)6-5-13(28-29)15-16(20-24-7-8-32-20)27-18(23)17(26-15)19(31)25-9-10-11(21)3-2-4-12(10)22/h2-8H,9H2,1H3,(H2,23,27)(H,25,31)
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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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479530
PNG
((R)-3-amino-6-(3-methylimidazo[1,2-a] pyridin-6-yl...)
Show SMILES Cc1cnc2ccc(cn12)-c1nc(C(=O)NC[C@H]2CCCO2)c(N)nc1-c1ncco1
Show InChI InChI=1S/C21H21N7O3/c1-12-9-24-15-5-4-13(11-28(12)15)16-17(21-23-6-8-31-21)27-19(22)18(26-16)20(29)25-10-14-3-2-7-30-14/h4-6,8-9,11,14H,2-3,7,10H2,1H3,(H2,22,27)(H,25,29)/t14-/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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptors A2b


(Homo sapiens (Human))
BDBM479372
PNG
(3-amino-N-(2,6-difluorobenzyl)-6-(1- methyl-6-oxo-...)
Show SMILES Cn1cc(ccc1=O)-c1nc(C(=O)NCc2c(F)cccc2F)c(N)nc1-c1ncco1
Show InChI InChI=1S/C21H16F2N6O3/c1-29-10-11(5-6-15(29)30)16-17(21-25-7-8-32-21)28-19(24)18(27-16)20(31)26-9-12-13(22)3-2-4-14(12)23/h2-8,10H,9H2,1H3,(H2,24,28)(H,26,31)
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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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479535
PNG
((R)-3-amino-6-(3-methylimidazo[1,2-a] pyridin-6-yl...)
Show SMILES Cc1cnc2ccc(cn12)-c1nc(C(=O)NC[C@H]2CCOC2)c(N)nc1-c1ncco1
Show InChI InChI=1S/C21H21N7O3/c1-12-8-24-15-3-2-14(10-28(12)15)16-17(21-23-5-7-31-21)27-19(22)18(26-16)20(29)25-9-13-4-6-30-11-13/h2-3,5,7-8,10,13H,4,6,9,11H2,1H3,(H2,22,27)(H,25,29)/t13-/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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479372
PNG
(3-amino-N-(2,6-difluorobenzyl)-6-(1- methyl-6-oxo-...)
Show SMILES Cn1cc(ccc1=O)-c1nc(C(=O)NCc2c(F)cccc2F)c(N)nc1-c1ncco1
Show InChI InChI=1S/C21H16F2N6O3/c1-29-10-11(5-6-15(29)30)16-17(21-25-7-8-32-21)28-19(24)18(27-16)20(31)26-9-12-13(22)3-2-4-14(12)23/h2-8,10H,9H2,1H3,(H2,24,28)(H,26,31)
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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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479533
PNG
(3-amino-6-(3-methylimidazo[1,2-a] pyridin-6-yl)-5-...)
Show SMILES Cc1cnc2ccc(cn12)-c1nc(C(=O)NCC2CCO2)c(N)nc1-c1ncco1
Show InChI InChI=1S/C20H19N7O3/c1-11-8-23-14-3-2-12(10-27(11)14)15-16(20-22-5-7-30-20)26-18(21)17(25-15)19(28)24-9-13-4-6-29-13/h2-3,5,7-8,10,13H,4,6,9H2,1H3,(H2,21,26)(H,24,28)
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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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479519
PNG
(3-amino-N-((3-fluoropyridin-2-yl) methyl)-6-(3-met...)
Show SMILES Cn1cnc2ccc(cc12)-c1nc(C(=O)NCc2ncccc2F)c(N)nc1-c1ncco1
Show InChI InChI=1S/C22H17FN8O2/c1-31-11-28-14-5-4-12(9-16(14)31)17-18(22-26-7-8-33-22)30-20(24)19(29-17)21(32)27-10-15-13(23)3-2-6-25-15/h2-9,11H,10H2,1H3,(H2,24,30)(H,27,32)
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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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479537
PNG
((R)-3-amino-5-(4-fluorophenyl)-6-(3- methylimidazo...)
Show SMILES CN1CCC[C@@H]1CNC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(nc1N)-c1ccc(F)cc1
Show InChI InChI=1S/C25H26FN7O/c1-15-12-28-20-10-7-17(14-33(15)20)22-21(16-5-8-18(26)9-6-16)31-24(27)23(30-22)25(34)29-13-19-4-3-11-32(19)2/h5-10,12,14,19H,3-4,11,13H2,1-2H3,(H2,27,31)(H,29,34)/t19-/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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479509
PNG
(3-amino-N-(2,6-difluorobenzyl)-5- (4-fluorophenyl)...)
Show SMILES Cn1cc(ccc1=O)-c1nc(C(=O)NCc2c(F)cccc2F)c(N)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C24H18F3N5O2/c1-32-12-14(7-10-19(32)33)21-20(13-5-8-15(25)9-6-13)31-23(28)22(30-21)24(34)29-11-16-17(26)3-2-4-18(16)27/h2-10,12H,11H2,1H3,(H2,28,31)(H,29,34)
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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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479522
PNG
(N-((3-amino-5-(4-fluorophenyl)-6-(1- methyl-6-oxo-...)
Show SMILES Cn1cc(ccc1=O)-c1nc(CNC(=O)c2c(F)cccc2F)c(N)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C24H18F3N5O2/c1-32-12-14(7-10-19(32)33)22-21(13-5-8-15(25)9-6-13)31-23(28)18(30-22)11-29-24(34)20-16(26)3-2-4-17(20)27/h2-10,12H,11H2,1H3,(H2,28,31)(H,29,34)
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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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479525
PNG
(3-amino-N-((3-fluoropyridin-2-yl) methyl)-6-(3-met...)
Show SMILES Cc1cnc2ccc(cn12)-c1nc(C(=O)NCc2ncccc2F)c(N)nc1-c1ncco1
Show InChI InChI=1S/C22H17FN8O2/c1-12-9-27-16-5-4-13(11-31(12)16)17-18(22-26-7-8-33-22)30-20(24)19(29-17)21(32)28-10-15-14(23)3-2-6-25-15/h2-9,11H,10H2,1H3,(H2,24,30)(H,28,32)
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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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479516
PNG
(3-amino-6-(1H-benzo[d]imidazol-5-yl)- N-((3-fluoro...)
Show SMILES Nc1nc(-c2ncco2)c(nc1C(=O)NCc1ncccc1F)-c1ccc2[nH]cnc2c1
Show InChI InChI=1S/C21H15FN8O2/c22-12-2-1-5-24-15(12)9-26-20(31)18-19(23)30-17(21-25-6-7-32-21)16(29-18)11-3-4-13-14(8-11)28-10-27-13/h1-8,10H,9H2,(H2,23,30)(H,26,31)(H,27,28)
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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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479532
PNG
(3-amino-N-isopropyl-6-(3-methyl- imidazo[1,2-a]pyr...)
Show SMILES CC(C)NC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(nc1N)-c1ncco1
Show InChI InChI=1S/C19H19N7O2/c1-10(2)23-18(27)16-17(20)25-15(19-21-6-7-28-19)14(24-16)12-4-5-13-22-8-11(3)26(13)9-12/h4-10H,1-3H3,(H2,20,25)(H,23,27)
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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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479528
PNG
(3-amino-6-(3-methylimidazo[1,2-a] pyridin-6-yl)-N-...)
Show SMILES CN1CCCC1CNC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(nc1N)-c1ncco1
Show InChI InChI=1S/C22H24N8O2/c1-13-10-25-16-6-5-14(12-30(13)16)17-18(22-24-7-9-32-22)28-20(23)19(27-17)21(31)26-11-15-4-3-8-29(15)2/h5-7,9-10,12,15H,3-4,8,11H2,1-2H3,(H2,23,28)(H,26,31)
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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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptors A2b


(Homo sapiens (Human))
BDBM479507
PNG
(3-amino-6-(1-methyl-6-oxo-1,6- dihydropyridin-3-yl...)
Show SMILES CNc1cccc(CNC(=O)c2nc(-c3ccc(=O)n(C)c3)c(nc2N)-c2ncco2)n1
Show InChI InChI=1S/C21H20N8O3/c1-23-14-5-3-4-13(26-14)10-25-20(31)18-19(22)28-17(21-24-8-9-32-21)16(27-18)12-6-7-15(30)29(2)11-12/h3-9,11H,10H2,1-2H3,(H2,22,28)(H,23,26)(H,25,31)
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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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479517
PNG
(3-amino-N-((6-aminopyridin-2-yl) methyl)-6-(imidaz...)
Show SMILES Nc1cccc(CNC(=O)c2nc(-c3ccc4nccn4c3)c(nc2N)-c2ncco2)n1
Show InChI InChI=1S/C21H17N9O2/c22-14-3-1-2-13(27-14)10-26-20(31)18-19(23)29-17(21-25-7-9-32-21)16(28-18)12-4-5-15-24-6-8-30(15)11-12/h1-9,11H,10H2,(H2,22,27)(H2,23,29)(H,26,31)
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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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479531
PNG
((S)-3-amino-6-(3-methylimidazo[1,2-a] pyridin-6-yl...)
Show SMILES Cc1cnc2ccc(cn12)-c1nc(C(=O)NC[C@@H]2CCCO2)c(N)nc1-c1ncco1
Show InChI InChI=1S/C21H21N7O3/c1-12-9-24-15-5-4-13(11-28(12)15)16-17(21-23-6-8-31-21)27-19(22)18(26-16)20(29)25-10-14-3-2-7-30-14/h4-6,8-9,11,14H,2-3,7,10H2,1H3,(H2,22,27)(H,25,29)/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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479397
PNG
(3-amino-N-((3-fluoropyridin-2-yl) methyl)-6-(1-met...)
Show SMILES Cn1cc(ccc1=O)-c1nc(C(=O)NCc2ncccc2F)c(N)nc1-c1ncco1
Show InChI InChI=1S/C20H16FN7O3/c1-28-10-11(4-5-14(28)29)15-16(20-24-7-8-31-20)27-18(22)17(26-15)19(30)25-9-13-12(21)3-2-6-23-13/h2-8,10H,9H2,1H3,(H2,22,27)(H,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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479540
PNG
((S)-3-amino-N-(1-methoxypropan-2-yl)- 6-(3-methyli...)
Show SMILES COC[C@H](C)NC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(nc1N)-c1ncco1
Show InChI InChI=1S/C20H21N7O3/c1-11(10-29-3)24-19(28)17-18(21)26-16(20-22-6-7-30-20)15(25-17)13-4-5-14-23-8-12(2)27(14)9-13/h4-9,11H,10H2,1-3H3,(H2,21,26)(H,24,28)/t11-/m0/s1
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n/an/a 3.15n/an/an/an/an/an/a



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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479511
PNG
(3-amino-N-(2,6-difluorobenzyl)-6-(1- methyl-6-oxo-...)
Show SMILES Cn1cc(ccc1=O)-c1nc(C(=O)NCc2c(F)cccc2F)c(N)nc1-n1nccn1
Show InChI InChI=1S/C20H16F2N8O2/c1-29-10-11(5-6-15(29)31)16-19(30-25-7-8-26-30)28-18(23)17(27-16)20(32)24-9-12-13(21)3-2-4-14(12)22/h2-8,10H,9H2,1H3,(H2,23,28)(H,24,32)
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n/an/a 3.20n/an/an/an/an/an/a



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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479514
PNG
(3-amino-N-(2,6-difluorobenzyl)-6-(1- (2-hydroxyeth...)
Show SMILES Nc1nc(-c2ncco2)c(nc1C(=O)NCc1c(F)cccc1F)-c1ccc(=O)n(CCO)c1
Show InChI InChI=1S/C22H18F2N6O4/c23-14-2-1-3-15(24)13(14)10-27-21(33)19-20(25)29-18(22-26-6-9-34-22)17(28-19)12-4-5-16(32)30(11-12)7-8-31/h1-6,9,11,31H,7-8,10H2,(H2,25,29)(H,27,33)
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n/an/a 3.30n/an/an/an/an/an/a



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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479507
PNG
(3-amino-6-(1-methyl-6-oxo-1,6- dihydropyridin-3-yl...)
Show SMILES CNc1cccc(CNC(=O)c2nc(-c3ccc(=O)n(C)c3)c(nc2N)-c2ncco2)n1
Show InChI InChI=1S/C21H20N8O3/c1-23-14-5-3-4-13(26-14)10-25-20(31)18-19(22)28-17(21-24-8-9-32-21)16(27-18)12-6-7-15(30)29(2)11-12/h3-9,11H,10H2,1-2H3,(H2,22,28)(H,23,26)(H,25,31)
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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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479506
PNG
(3-amino-6-(1-methyl-6-oxo-1,6- dihydropyridin-3-yl...)
Show SMILES Cc1scnc1CNC(=O)c1nc(-c2ccc(=O)n(C)c2)c(nc1N)-c1ncco1
Show InChI InChI=1S/C19H17N7O3S/c1-10-12(23-9-30-10)7-22-18(28)16-17(20)25-15(19-21-5-6-29-19)14(24-16)11-3-4-13(27)26(2)8-11/h3-6,8-9H,7H2,1-2H3,(H2,20,25)(H,22,28)
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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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479528
PNG
(3-amino-6-(3-methylimidazo[1,2-a] pyridin-6-yl)-N-...)
Show SMILES CN1CCCC1CNC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(nc1N)-c1ncco1
Show InChI InChI=1S/C22H24N8O2/c1-13-10-25-16-6-5-14(12-30(13)16)17-18(22-24-7-9-32-22)28-20(23)19(27-17)21(31)26-11-15-4-3-8-29(15)2/h5-7,9-10,12,15H,3-4,8,11H2,1-2H3,(H2,23,28)(H,26,31)
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n/an/a 3.70n/an/an/an/an/an/a



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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479510
PNG
(6-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-3- amino-N-...)
Show SMILES Nc1nc(-c2ncco2)c(nc1C(=O)NCc1c(F)cccc1F)-c1ccc2nncn2c1
Show InChI InChI=1S/C21H14F2N8O2/c22-13-2-1-3-14(23)12(13)8-26-20(32)18-19(24)29-17(21-25-6-7-33-21)16(28-18)11-4-5-15-30-27-10-31(15)9-11/h1-7,9-10H,8H2,(H2,24,29)(H,26,32)
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n/an/a 3.70n/an/an/an/an/an/a



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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479491
PNG
(3-amino-N-((6-(dimethylamino)pyridin- 2-yl)methyl)...)
Show SMILES CN(C)c1cccnc1CNC(=O)c1nc(-c2ccc(=O)n(C)c2)c(nc1N)-c1ncco1
Show InChI InChI=1S/C22H22N8O3/c1-29(2)15-5-4-8-24-14(15)11-26-21(32)19-20(23)28-18(22-25-9-10-33-22)17(27-19)13-6-7-16(31)30(3)12-13/h4-10,12H,11H2,1-3H3,(H2,23,28)(H,26,32)
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n/an/a 3.90n/an/an/an/an/an/a



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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479536
PNG
((S)-3-amino-6-(3-methylimidazo[1,2-a] pyridin-6-yl...)
Show SMILES Cc1cnc2ccc(cn12)-c1nc(C(=O)NC[C@@H]2CCOC2)c(N)nc1-c1ncco1
Show InChI InChI=1S/C21H21N7O3/c1-12-8-24-15-3-2-14(10-28(12)15)16-17(21-23-5-7-31-21)27-19(22)18(26-16)20(29)25-9-13-4-6-30-11-13/h2-3,5,7-8,10,13H,4,6,9,11H2,1H3,(H2,22,27)(H,25,29)/t13-/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479538
PNG
((S)-3-amino-5-(4-fluorophenyl)-6-(3- methylimidazo...)
Show SMILES CN1CCC[C@H]1CNC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(nc1N)-c1ccc(F)cc1
Show InChI InChI=1S/C25H26FN7O/c1-15-12-28-20-10-7-17(14-33(15)20)22-21(16-5-8-18(26)9-6-16)31-24(27)23(30-22)25(34)29-13-19-4-3-11-32(19)2/h5-10,12,14,19H,3-4,11,13H2,1-2H3,(H2,27,31)(H,29,34)/t19-/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479513
PNG
(3-amino-N-(1-(2,6-difluorophenyl) ethyl)-6-(1-meth...)
Show SMILES CC(NC(=O)c1nc(-c2ccc(=O)n(C)c2)c(nc1N)-c1ncco1)c1c(F)cccc1F
Show InChI InChI=1S/C22H18F2N6O3/c1-11(16-13(23)4-3-5-14(16)24)27-21(32)19-20(25)29-18(22-26-8-9-33-22)17(28-19)12-6-7-15(31)30(2)10-12/h3-11H,1-2H3,(H2,25,29)(H,27,32)
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n/an/a 5.20n/an/an/an/an/an/a



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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479518
PNG
(3-amino-N-((6-amino-3-fluoropyridin- 2-yl)methyl)-...)
Show SMILES Cn1cc(ccc1=O)-c1nc(C(=O)NCc2nc(N)ccc2F)c(N)nc1-c1ncco1
Show InChI InChI=1S/C20H17FN8O3/c1-29-9-10(2-5-14(29)30)15-16(20-24-6-7-32-20)28-18(23)17(27-15)19(31)25-8-12-11(21)3-4-13(22)26-12/h2-7,9H,8H2,1H3,(H2,22,26)(H2,23,28)(H,25,31)
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n/an/a 5.30n/an/an/an/an/an/a



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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479533
PNG
(3-amino-6-(3-methylimidazo[1,2-a] pyridin-6-yl)-5-...)
Show SMILES Cc1cnc2ccc(cn12)-c1nc(C(=O)NCC2CCO2)c(N)nc1-c1ncco1
Show InChI InChI=1S/C20H19N7O3/c1-11-8-23-14-3-2-12(10-27(11)14)15-16(20-22-5-7-30-20)26-18(21)17(25-15)19(28)24-9-13-4-6-29-13/h2-3,5,7-8,10,13H,4,6,9H2,1H3,(H2,21,26)(H,24,28)
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n/an/a 5.5n/an/an/an/an/an/a



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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM479525
PNG
(3-amino-N-((3-fluoropyridin-2-yl) methyl)-6-(3-met...)
Show SMILES Cc1cnc2ccc(cn12)-c1nc(C(=O)NCc2ncccc2F)c(N)nc1-c1ncco1
Show InChI InChI=1S/C22H17FN8O2/c1-12-9-27-16-5-4-13(11-31(12)16)17-18(22-26-7-8-33-22)30-20(24)19(29-17)21(32)28-10-15-14(23)3-2-6-25-15/h2-9,11H,10H2,1H3,(H2,24,30)(H,28,32)
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n/an/a 5.60n/an/an/an/an/an/a



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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479539
PNG
(3-amino-N-(2-methoxyethyl)-6-(3- methylimidazo[1,2...)
Show SMILES COCCNC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(nc1N)-c1ncco1
Show InChI InChI=1S/C19H19N7O3/c1-11-9-23-13-4-3-12(10-26(11)13)14-15(19-22-6-8-29-19)25-17(20)16(24-14)18(27)21-5-7-28-2/h3-4,6,8-10H,5,7H2,1-2H3,(H2,20,25)(H,21,27)
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n/an/a 5.60n/an/an/an/an/an/a



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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479526
PNG
(3-amino-N-((3-fluoropyridin-2-yl) methyl)-6-(imida...)
Show SMILES Nc1nc(c(nc1C(=O)NCc1ncccc1F)-c1ccc2nccn2c1)-n1nccn1
Show InChI InChI=1S/C20H15FN10O/c21-13-2-1-5-23-14(13)10-25-20(32)17-18(22)29-19(31-26-6-7-27-31)16(28-17)12-3-4-15-24-8-9-30(15)11-12/h1-9,11H,10H2,(H2,22,29)(H,25,32)
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n/an/a 6.20n/an/an/an/an/an/a



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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479527
PNG
(3-amino-5-(4-fluorophenyl)-6-(3- methyl-3H-benzo[d...)
Show SMILES CNCCOc1cccnc1CNC(=O)c1nc(-c2ccc3ncn(C)c3c2)c(nc1N)-c1ccc(F)cc1
Show InChI InChI=1S/C28H27FN8O2/c1-31-12-13-39-23-4-3-11-32-21(23)15-33-28(38)26-27(30)36-24(17-5-8-19(29)9-6-17)25(35-26)18-7-10-20-22(14-18)37(2)16-34-20/h3-11,14,16,31H,12-13,15H2,1-2H3,(H2,30,36)(H,33,38)
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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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479520
PNG
(3-amino-6-(2,6-dimethylpyridin-4-yl)- N-(2-methoxy...)
Show SMILES COc1ccccc1CNC(=O)c1nc(-c2cc(C)nc(C)c2)c(nc1N)-c1ccc(C)o1
Show InChI InChI=1S/C25H25N5O3/c1-14-11-18(12-15(2)28-14)21-22(20-10-9-16(3)33-20)30-24(26)23(29-21)25(31)27-13-17-7-5-6-8-19(17)32-4/h5-12H,13H2,1-4H3,(H2,26,30)(H,27,31)
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n/an/a 7.90n/an/an/an/an/an/a



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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479524
PNG
(6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-3- amino-N-...)
Show SMILES Nc1nc(-c2ncco2)c(nc1C(=O)NCc1ncccc1F)-c1ccc2ncnn2c1
Show InChI InChI=1S/C20H14FN9O2/c21-12-2-1-5-23-13(12)8-25-19(31)17-18(22)29-16(20-24-6-7-32-20)15(28-17)11-3-4-14-26-10-27-30(14)9-11/h1-7,9-10H,8H2,(H2,22,29)(H,25,31)
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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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479541
PNG
(3-amino-N-cyclobutyl-6-(3- methylimidazo[1,2-a]pyr...)
Show SMILES Cc1cnc2ccc(cn12)-c1nc(C(=O)NC2CCC2)c(N)nc1-c1ncco1
Show InChI InChI=1S/C20H19N7O2/c1-11-9-23-14-6-5-12(10-27(11)14)15-16(20-22-7-8-29-20)26-18(21)17(25-15)19(28)24-13-3-2-4-13/h5-10,13H,2-4H2,1H3,(H2,21,26)(H,24,28)
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n/an/a 9.10n/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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479523
PNG
(3-amino-N-(1-(2,6-difluorophenyl)-2- hydroxyethyl)...)
Show SMILES Cn1cc(ccc1=O)-c1nc(C(=O)NC(CO)c2c(F)cccc2F)c(N)nc1-c1ncco1
Show InChI InChI=1S/C22H18F2N6O4/c1-30-9-11(5-6-15(30)32)17-18(22-26-7-8-34-22)29-20(25)19(28-17)21(33)27-14(10-31)16-12(23)3-2-4-13(16)24/h2-9,14,31H,10H2,1H3,(H2,25,29)(H,27,33)
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n/an/a 9.30n/an/an/an/an/an/a



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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM479523
PNG
(3-amino-N-(1-(2,6-difluorophenyl)-2- hydroxyethyl)...)
Show SMILES Cn1cc(ccc1=O)-c1nc(C(=O)NC(CO)c2c(F)cccc2F)c(N)nc1-c1ncco1
Show InChI InChI=1S/C22H18F2N6O4/c1-30-9-11(5-6-15(30)32)17-18(22-26-7-8-34-22)29-20(25)19(28-17)21(33)27-14(10-31)16-12(23)3-2-4-13(16)24/h2-9,14,31H,10H2,1H3,(H2,25,29)(H,27,33)
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n/an/a 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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479508
PNG
(3-amino-N-((6-aminopyridin-2-yl) methyl)-6-(1-meth...)
Show SMILES Cn1cc(ccc1=O)-c1nc(C(=O)NCc2cccc(N)n2)c(N)nc1-c1ncco1
Show InChI InChI=1S/C20H18N8O3/c1-28-10-11(5-6-14(28)29)15-16(20-23-7-8-31-20)27-18(22)17(26-15)19(30)24-9-12-3-2-4-13(21)25-12/h2-8,10H,9H2,1H3,(H2,21,25)(H2,22,27)(H,24,30)
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n/an/a 11n/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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479521
PNG
(3-amino-6-(2,6-dimethylpyridin-4-yl)- 5-(4-fluorop...)
Show SMILES Cc1cc(cc(C)n1)-c1nc(C(=O)NCc2ccccc2OC(F)(F)F)c(N)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C26H21F4N5O2/c1-14-11-18(12-15(2)33-14)22-21(16-7-9-19(27)10-8-16)35-24(31)23(34-22)25(36)32-13-17-5-3-4-6-20(17)37-26(28,29)30/h3-12H,13H2,1-2H3,(H2,31,35)(H,32,36)
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n/an/a 13n/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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM479491
PNG
(3-amino-N-((6-(dimethylamino)pyridin- 2-yl)methyl)...)
Show SMILES CN(C)c1cccnc1CNC(=O)c1nc(-c2ccc(=O)n(C)c2)c(nc1N)-c1ncco1
Show InChI InChI=1S/C22H22N8O3/c1-29(2)15-5-4-8-24-14(15)11-26-21(32)19-20(23)28-18(22-25-9-10-33-22)17(27-19)13-6-7-16(31)30(3)12-13/h4-10,12H,11H2,1-3H3,(H2,23,28)(H,26,32)
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n/an/a 15n/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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM479372
PNG
(3-amino-N-(2,6-difluorobenzyl)-6-(1- methyl-6-oxo-...)
Show SMILES Cn1cc(ccc1=O)-c1nc(C(=O)NCc2c(F)cccc2F)c(N)nc1-c1ncco1
Show InChI InChI=1S/C21H16F2N6O3/c1-29-10-11(5-6-15(29)30)16-17(21-25-7-8-32-21)28-19(24)18(27-16)20(31)26-9-12-13(22)3-2-4-14(12)23/h2-8,10H,9H2,1H3,(H2,24,28)(H,26,31)
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n/an/a 16n/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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM479537
PNG
((R)-3-amino-5-(4-fluorophenyl)-6-(3- methylimidazo...)
Show SMILES CN1CCC[C@@H]1CNC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(nc1N)-c1ccc(F)cc1
Show InChI InChI=1S/C25H26FN7O/c1-15-12-28-20-10-7-17(14-33(15)20)22-21(16-5-8-18(26)9-6-16)31-24(27)23(30-22)25(34)29-13-19-4-3-11-32(19)2/h5-10,12,14,19H,3-4,11,13H2,1-2H3,(H2,27,31)(H,29,34)/t19-/m1/s1
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n/an/a 17n/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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM479522
PNG
(N-((3-amino-5-(4-fluorophenyl)-6-(1- methyl-6-oxo-...)
Show SMILES Cn1cc(ccc1=O)-c1nc(CNC(=O)c2c(F)cccc2F)c(N)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C24H18F3N5O2/c1-32-12-14(7-10-19(32)33)22-21(13-5-8-15(25)9-6-13)31-23(28)18(30-22)11-29-24(34)20-16(26)3-2-4-17(20)27/h2-10,12H,11H2,1H3,(H2,28,31)(H,29,34)
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n/an/a 17n/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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479515
PNG
(3-amino-N-((3-fluoropyridin-2-yl) methyl)-6-(imida...)
Show SMILES Nc1nc(-c2ncco2)c(nc1C(=O)NCc1ncccc1F)-c1ccc2nccn2c1
Show InChI InChI=1S/C21H15FN8O2/c22-13-2-1-5-24-14(13)10-27-20(31)18-19(23)29-17(21-26-7-9-32-21)16(28-18)12-3-4-15-25-6-8-30(15)11-12/h1-9,11H,10H2,(H2,23,29)(H,27,31)
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n/an/a 21n/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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM479521
PNG
(3-amino-6-(2,6-dimethylpyridin-4-yl)- 5-(4-fluorop...)
Show SMILES Cc1cc(cc(C)n1)-c1nc(C(=O)NCc2ccccc2OC(F)(F)F)c(N)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C26H21F4N5O2/c1-14-11-18(12-15(2)33-14)22-21(16-7-9-19(27)10-8-16)35-24(31)23(34-22)25(36)32-13-17-5-3-4-6-20(17)37-26(28,29)30/h3-12H,13H2,1-2H3,(H2,31,35)(H,32,36)
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n/an/a 30n/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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM479526
PNG
(3-amino-N-((3-fluoropyridin-2-yl) methyl)-6-(imida...)
Show SMILES Nc1nc(c(nc1C(=O)NCc1ncccc1F)-c1ccc2nccn2c1)-n1nccn1
Show InChI InChI=1S/C20H15FN10O/c21-13-2-1-5-23-14(13)10-25-20(32)17-18(22)29-19(31-26-6-7-27-31)16(28-17)12-3-4-15-24-8-9-30(15)11-12/h1-9,11H,10H2,(H2,22,29)(H,25,32)
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n/an/a 49n/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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM479520
PNG
(3-amino-6-(2,6-dimethylpyridin-4-yl)- N-(2-methoxy...)
Show SMILES COc1ccccc1CNC(=O)c1nc(-c2cc(C)nc(C)c2)c(nc1N)-c1ccc(C)o1
Show InChI InChI=1S/C25H25N5O3/c1-14-11-18(12-15(2)28-14)21-22(20-10-9-16(3)33-20)30-24(26)23(29-21)25(31)27-13-17-7-5-6-8-19(17)32-4/h5-12H,13H2,1-4H3,(H2,26,30)(H,27,31)
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n/an/a 52n/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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM479538
PNG
((S)-3-amino-5-(4-fluorophenyl)-6-(3- methylimidazo...)
Show SMILES CN1CCC[C@H]1CNC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(nc1N)-c1ccc(F)cc1
Show InChI InChI=1S/C25H26FN7O/c1-15-12-28-20-10-7-17(14-33(15)20)22-21(16-5-8-18(26)9-6-16)31-24(27)23(30-22)25(34)29-13-19-4-3-11-32(19)2/h5-10,12,14,19H,3-4,11,13H2,1-2H3,(H2,27,31)(H,29,34)/t19-/m0/s1
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n/an/a 66n/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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM479517
PNG
(3-amino-N-((6-aminopyridin-2-yl) methyl)-6-(imidaz...)
Show SMILES Nc1cccc(CNC(=O)c2nc(-c3ccc4nccn4c3)c(nc2N)-c2ncco2)n1
Show InChI InChI=1S/C21H17N9O2/c22-14-3-1-2-13(27-14)10-26-20(31)18-19(23)29-17(21-25-7-9-32-21)16(28-18)12-4-5-15-24-6-8-30(15)11-12/h1-9,11H,10H2,(H2,22,27)(H2,23,29)(H,26,31)
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n/an/a 67n/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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM479531
PNG
((S)-3-amino-6-(3-methylimidazo[1,2-a] pyridin-6-yl...)
Show SMILES Cc1cnc2ccc(cn12)-c1nc(C(=O)NC[C@@H]2CCCO2)c(N)nc1-c1ncco1
Show InChI InChI=1S/C21H21N7O3/c1-12-9-24-15-5-4-13(11-28(12)15)16-17(21-23-6-8-31-21)27-19(22)18(26-16)20(29)25-10-14-3-2-7-30-14/h4-6,8-9,11,14H,2-3,7,10H2,1H3,(H2,22,27)(H,25,29)/t14-/m0/s1
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n/an/a 68n/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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM479519
PNG
(3-amino-N-((3-fluoropyridin-2-yl) methyl)-6-(3-met...)
Show SMILES Cn1cnc2ccc(cc12)-c1nc(C(=O)NCc2ncccc2F)c(N)nc1-c1ncco1
Show InChI InChI=1S/C22H17FN8O2/c1-31-11-28-14-5-4-12(9-16(14)31)17-18(22-26-7-8-33-22)30-20(24)19(29-17)21(32)27-10-15-13(23)3-2-6-25-15/h2-9,11H,10H2,1H3,(H2,24,30)(H,27,32)
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n/an/a 78n/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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM479530
PNG
((R)-3-amino-6-(3-methylimidazo[1,2-a] pyridin-6-yl...)
Show SMILES Cc1cnc2ccc(cn12)-c1nc(C(=O)NC[C@H]2CCCO2)c(N)nc1-c1ncco1
Show InChI InChI=1S/C21H21N7O3/c1-12-9-24-15-5-4-13(11-28(12)15)16-17(21-23-6-8-31-21)27-19(22)18(26-16)20(29)25-10-14-3-2-7-30-14/h4-6,8-9,11,14H,2-3,7,10H2,1H3,(H2,22,27)(H,25,29)/t14-/m1/s1
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n/an/a 78n/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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM479539
PNG
(3-amino-N-(2-methoxyethyl)-6-(3- methylimidazo[1,2...)
Show SMILES COCCNC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(nc1N)-c1ncco1
Show InChI InChI=1S/C19H19N7O3/c1-11-9-23-13-4-3-12(10-26(11)13)14-15(19-22-6-8-29-19)25-17(20)16(24-14)18(27)21-5-7-28-2/h3-4,6,8-10H,5,7H2,1-2H3,(H2,20,25)(H,21,27)
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n/an/a 108n/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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM479528
PNG
(3-amino-6-(3-methylimidazo[1,2-a] pyridin-6-yl)-N-...)
Show SMILES CN1CCCC1CNC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(nc1N)-c1ncco1
Show InChI InChI=1S/C22H24N8O2/c1-13-10-25-16-6-5-14(12-30(13)16)17-18(22-24-7-9-32-22)28-20(23)19(27-17)21(31)26-11-15-4-3-8-29(15)2/h5-7,9-10,12,15H,3-4,8,11H2,1-2H3,(H2,23,28)(H,26,31)
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n/an/a 116n/an/an/an/an/an/a



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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM479518
PNG
(3-amino-N-((6-amino-3-fluoropyridin- 2-yl)methyl)-...)
Show SMILES Cn1cc(ccc1=O)-c1nc(C(=O)NCc2nc(N)ccc2F)c(N)nc1-c1ncco1
Show InChI InChI=1S/C20H17FN8O3/c1-29-9-10(2-5-14(29)30)15-16(20-24-6-7-32-20)28-18(23)17(27-15)19(31)25-8-12-11(21)3-4-13(22)26-12/h2-7,9H,8H2,1H3,(H2,22,26)(H2,23,28)(H,25,31)
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n/an/a 117n/an/an/an/an/an/a



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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM479528
PNG
(3-amino-6-(3-methylimidazo[1,2-a] pyridin-6-yl)-N-...)
Show SMILES CN1CCCC1CNC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(nc1N)-c1ncco1
Show InChI InChI=1S/C22H24N8O2/c1-13-10-25-16-6-5-14(12-30(13)16)17-18(22-24-7-9-32-22)28-20(23)19(27-17)21(31)26-11-15-4-3-8-29(15)2/h5-7,9-10,12,15H,3-4,8,11H2,1-2H3,(H2,23,28)(H,26,31)
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n/an/a 156n/an/an/an/an/an/a



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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM479533
PNG
(3-amino-6-(3-methylimidazo[1,2-a] pyridin-6-yl)-5-...)
Show SMILES Cc1cnc2ccc(cn12)-c1nc(C(=O)NCC2CCO2)c(N)nc1-c1ncco1
Show InChI InChI=1S/C20H19N7O3/c1-11-8-23-14-3-2-12(10-27(11)14)15-16(20-22-5-7-30-20)26-18(21)17(25-15)19(28)24-9-13-4-6-29-13/h2-3,5,7-8,10,13H,4,6,9H2,1H3,(H2,21,26)(H,24,28)
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n/an/a 161n/an/an/an/an/an/a



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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM479535
PNG
((R)-3-amino-6-(3-methylimidazo[1,2-a] pyridin-6-yl...)
Show SMILES Cc1cnc2ccc(cn12)-c1nc(C(=O)NC[C@H]2CCOC2)c(N)nc1-c1ncco1
Show InChI InChI=1S/C21H21N7O3/c1-12-8-24-15-3-2-14(10-28(12)15)16-17(21-23-5-7-31-21)27-19(22)18(26-16)20(29)25-9-13-4-6-30-11-13/h2-3,5,7-8,10,13H,4,6,9,11H2,1H3,(H2,22,27)(H,25,29)/t13-/m1/s1
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n/an/a 182n/an/an/an/an/an/a



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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM479536
PNG
((S)-3-amino-6-(3-methylimidazo[1,2-a] pyridin-6-yl...)
Show SMILES Cc1cnc2ccc(cn12)-c1nc(C(=O)NC[C@@H]2CCOC2)c(N)nc1-c1ncco1
Show InChI InChI=1S/C21H21N7O3/c1-12-8-24-15-3-2-14(10-28(12)15)16-17(21-23-5-7-31-21)27-19(22)18(26-16)20(29)25-9-13-4-6-30-11-13/h2-3,5,7-8,10,13H,4,6,9,11H2,1H3,(H2,22,27)(H,25,29)/t13-/m0/s1
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n/an/a 195n/an/an/an/an/an/a



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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM479533
PNG
(3-amino-6-(3-methylimidazo[1,2-a] pyridin-6-yl)-5-...)
Show SMILES Cc1cnc2ccc(cn12)-c1nc(C(=O)NCC2CCO2)c(N)nc1-c1ncco1
Show InChI InChI=1S/C20H19N7O3/c1-11-8-23-14-3-2-12(10-27(11)14)15-16(20-22-5-7-30-20)26-18(21)17(25-15)19(28)24-9-13-4-6-29-13/h2-3,5,7-8,10,13H,4,6,9H2,1H3,(H2,21,26)(H,24,28)
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n/an/a 216n/an/an/an/an/an/a



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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM479515
PNG
(3-amino-N-((3-fluoropyridin-2-yl) methyl)-6-(imida...)
Show SMILES Nc1nc(-c2ncco2)c(nc1C(=O)NCc1ncccc1F)-c1ccc2nccn2c1
Show InChI InChI=1S/C21H15FN8O2/c22-13-2-1-5-24-14(13)10-27-20(31)18-19(23)29-17(21-26-7-9-32-21)16(28-18)12-3-4-15-25-6-8-30(15)11-12/h1-9,11H,10H2,(H2,23,29)(H,27,31)
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n/an/a 245n/an/an/an/an/an/a



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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM479532
PNG
(3-amino-N-isopropyl-6-(3-methyl- imidazo[1,2-a]pyr...)
Show SMILES CC(C)NC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(nc1N)-c1ncco1
Show InChI InChI=1S/C19H19N7O2/c1-10(2)23-18(27)16-17(20)25-15(19-21-6-7-28-19)14(24-16)12-4-5-13-22-8-11(3)26(13)9-12/h4-10H,1-3H3,(H2,20,25)(H,23,27)
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n/an/a 271n/an/an/an/an/an/a



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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM479540
PNG
((S)-3-amino-N-(1-methoxypropan-2-yl)- 6-(3-methyli...)
Show SMILES COC[C@H](C)NC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(nc1N)-c1ncco1
Show InChI InChI=1S/C20H21N7O3/c1-11(10-29-3)24-19(28)17-18(21)26-16(20-22-6-7-30-20)15(25-17)13-4-5-14-23-8-12(2)27(14)9-13/h4-9,11H,10H2,1-3H3,(H2,21,26)(H,24,28)/t11-/m0/s1
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n/an/a 333n/an/an/an/an/an/a



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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM479541
PNG
(3-amino-N-cyclobutyl-6-(3- methylimidazo[1,2-a]pyr...)
Show SMILES Cc1cnc2ccc(cn12)-c1nc(C(=O)NC2CCC2)c(N)nc1-c1ncco1
Show InChI InChI=1S/C20H19N7O2/c1-11-9-23-14-6-5-12(10-27(11)14)15-16(20-22-7-8-29-20)26-18(21)17(25-15)19(28)24-13-3-2-4-13/h5-10,13H,2-4H2,1H3,(H2,21,26)(H,24,28)
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n/an/a 475n/an/an/an/an/an/a



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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM479524
PNG
(6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-3- amino-N-...)
Show SMILES Nc1nc(-c2ncco2)c(nc1C(=O)NCc1ncccc1F)-c1ccc2ncnn2c1
Show InChI InChI=1S/C20H14FN9O2/c21-12-2-1-5-23-13(12)8-25-19(31)17-18(22)29-16(20-24-6-7-32-20)15(28-17)11-3-4-14-26-10-27-30(14)9-11/h1-7,9-10H,8H2,(H2,22,29)(H,25,31)
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n/an/a 685n/an/an/an/an/an/a



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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM479516
PNG
(3-amino-6-(1H-benzo[d]imidazol-5-yl)- N-((3-fluoro...)
Show SMILES Nc1nc(-c2ncco2)c(nc1C(=O)NCc1ncccc1F)-c1ccc2[nH]cnc2c1
Show InChI InChI=1S/C21H15FN8O2/c22-12-2-1-5-24-15(12)9-26-20(31)18-19(23)30-17(21-25-6-7-32-21)16(29-18)11-3-4-13-14(8-11)28-10-27-13/h1-8,10H,9H2,(H2,23,30)(H,26,31)(H,27,28)
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n/an/a 696n/an/an/an/an/an/a



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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptors A2b


(Homo sapiens (Human))
BDBM479521
PNG
(3-amino-6-(2,6-dimethylpyridin-4-yl)- 5-(4-fluorop...)
Show SMILES Cc1cc(cc(C)n1)-c1nc(C(=O)NCc2ccccc2OC(F)(F)F)c(N)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C26H21F4N5O2/c1-14-11-18(12-15(2)33-14)22-21(16-7-9-19(27)10-8-16)35-24(31)23(34-22)25(36)32-13-17-5-3-4-6-20(17)37-26(28,29)30/h3-12H,13H2,1-2H3,(H2,31,35)(H,32,36)
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n/an/a 4.42E+3n/an/an/an/an/an/a



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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM479505
PNG
(3-amino-N-((3-(difluoromethoxy) pyridin-2-yl)methy...)
Show SMILES Cn1cc(ccc1=O)-c1nc(C(=O)NCc2ncccc2OC(F)F)c(N)nc1-c1ncco1
Show InChI InChI=1S/C21H17F2N7O4/c1-30-10-11(4-5-14(30)31)15-16(20-26-7-8-33-20)29-18(24)17(28-15)19(32)27-9-12-13(34-21(22)23)3-2-6-25-12/h2-8,10,21H,9H2,1H3,(H2,24,29)(H,27,32)
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n/an/a 1.00E+4n/an/an/an/an/an/a



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 US10898481 (2021)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM479505
PNG
(3-amino-N-((3-(difluoromethoxy) pyridin-2-yl)methy...)
Show SMILES Cn1cc(ccc1=O)-c1nc(C(=O)NCc2ncccc2OC(F)F)c(N)nc1-c1ncco1
Show InChI InChI=1S/C21H17F2N7O4/c1-30-10-11(4-5-14(30)31)15-16(20-26-7-8-33-20)29-18(24)17(28-15)19(32)27-9-12-13(34-21(22)23)3-2-6-25-12/h2-8,10,21H,9H2,1H3,(H2,24,29)(H,27,32)
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n/an/a 1.00E+4n/an/an/an/an/an/a



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 US10898481 (2021)

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