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35 similar compounds to monomer 50188578

Wt: 382.3
BDBM50188547
Wt: 460.4
BDBM50188548
Wt: 364.4
BDBM50188553
Wt: 488.5
BDBM50188555
Wt: 494.8
BDBM50188563
Wt: 494.8
BDBM50188569
Wt: 336.3
BDBM50188572
Wt: 406.4
BDBM50188575
Wt: 432.3
BDBM50188583
Wt: 460.4
BDBM50188585
Wt: 478.4
BDBM50188587
Wt: 528.4
BDBM50188589
Wt: 512.8
BDBM50188590
Wt: 490.4
BDBM50188591
Wt: 446.4
BDBM50236738
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Displayed 1 to 15 (of 35 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 51 hits for monomerid = 50188547,50188548,50188553,50188555,50188563,50188569,50188572,50188575,50188583,50188585,50188587,50188589,50188590,50188591,50236738   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188547
PNG
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-diethyl...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2cccc(F)c2)c1
Show InChI InChI=1S/C19H19FN6O2/c1-3-25-17-15(18(27)26(4-2)19(25)28)22-16(23-17)13-9-21-24(11-13)10-12-6-5-7-14(20)8-12/h5-9,11H,3-4,10H2,1-2H3,(H,22,23)
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5n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188547
PNG
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-diethyl...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2cccc(F)c2)c1
Show InChI InChI=1S/C19H19FN6O2/c1-3-25-17-15(18(27)26(4-2)19(25)28)22-16(23-17)13-9-21-24(11-13)10-12-6-5-7-14(20)8-12/h5-9,11H,3-4,10H2,1-2H3,(H,22,23)
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5n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50236738
PNG
(3-ethyl-1-propyl-8-(1-(3-(trifluoromethyl)benzyl)-...)
Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C21H21F3N6O2/c1-3-8-30-19(31)16-18(29(4-2)20(30)32)27-17(26-16)14-10-25-28(12-14)11-13-6-5-7-15(9-13)21(22,23)24/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,26,27)
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8.30n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]-ABOPX from human recombinant adenosine A2B receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188583
PNG
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C20H19F3N6O2/c1-3-28-17-15(18(30)29(4-2)19(28)31)25-16(26-17)13-9-24-27(11-13)10-12-6-5-7-14(8-12)20(21,22)23/h5-9,11H,3-4,10H2,1-2H3,(H,25,26)
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13n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188583
PNG
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C20H19F3N6O2/c1-3-28-17-15(18(30)29(4-2)19(28)31)25-16(26-17)13-9-24-27(11-13)10-12-6-5-7-14(8-12)20(21,22)23/h5-9,11H,3-4,10H2,1-2H3,(H,25,26)
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13n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188553
PNG
(8-(1-benzyl-1H-pyrazol-4-yl)-1,3-diethyl-1H-purine...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C19H20N6O2/c1-3-24-17-15(18(26)25(4-2)19(24)27)21-16(22-17)14-10-20-23(12-14)11-13-8-6-5-7-9-13/h5-10,12H,3-4,11H2,1-2H3,(H,21,22)
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19n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188548
PNG
(8-(1-(4-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C22H23F3N6O2/c1-3-9-30-19-17(20(32)31(10-4-2)21(30)33)27-18(28-19)15-11-26-29(13-15)12-14-5-7-16(8-6-14)22(23,24)25/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,27,28)
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20n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188569
PNG
(8-(1-(2-chloro-5-(trifluoromethyl)benzyl)-1H-pyraz...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(ccc2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C22H22ClF3N6O2/c1-3-7-31-19-17(20(33)32(8-4-2)21(31)34)28-18(29-19)14-10-27-30(12-14)11-13-9-15(22(24,25)26)5-6-16(13)23/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,28,29)
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22n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50236738
PNG
(3-ethyl-1-propyl-8-(1-(3-(trifluoromethyl)benzyl)-...)
Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C21H21F3N6O2/c1-3-8-30-19(31)16-18(29(4-2)20(30)32)27-17(26-16)14-10-25-28(12-14)11-13-6-5-7-15(9-13)21(22,23)24/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,26,27)
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22n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188569
PNG
(8-(1-(2-chloro-5-(trifluoromethyl)benzyl)-1H-pyraz...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(ccc2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C22H22ClF3N6O2/c1-3-7-31-19-17(20(33)32(8-4-2)21(31)34)28-18(29-19)14-10-27-30(12-14)11-13-9-15(22(24,25)26)5-6-16(13)23/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,28,29)
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22n/an/an/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human adenosine A2B receptor


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50236738
PNG
(3-ethyl-1-propyl-8-(1-(3-(trifluoromethyl)benzyl)-...)
Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C21H21F3N6O2/c1-3-8-30-19(31)16-18(29(4-2)20(30)32)27-17(26-16)14-10-25-28(12-14)11-13-6-5-7-15(9-13)21(22,23)24/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,26,27)
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22n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2B receptor


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188575
PNG
(8-(1-(3-methylbenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(C)c2)c1
Show InChI InChI=1S/C22H26N6O2/c1-4-9-27-20-18(21(29)28(10-5-2)22(27)30)24-19(25-20)17-12-23-26(14-17)13-16-8-6-7-15(3)11-16/h6-8,11-12,14H,4-5,9-10,13H2,1-3H3,(H,24,25)
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36n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188585
PNG
(8-(1-(2-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C22H23F3N6O2/c1-3-9-30-19-17(20(32)31(10-4-2)21(30)33)27-18(28-19)15-11-26-29(13-15)12-14-7-5-6-8-16(14)22(23,24)25/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,27,28)
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37n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A1


(Homo sapiens (human))
BDBM50188548
PNG
(8-(1-(4-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C22H23F3N6O2/c1-3-9-30-19-17(20(32)31(10-4-2)21(30)33)27-18(28-19)15-11-26-29(13-15)12-14-5-7-16(8-6-14)22(23,24)25/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,27,28)
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41n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A1


(Homo sapiens (human))
BDBM50188585
PNG
(8-(1-(2-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C22H23F3N6O2/c1-3-9-30-19-17(20(32)31(10-4-2)21(30)33)27-18(28-19)15-11-26-29(13-15)12-14-7-5-6-8-16(14)22(23,24)25/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,27,28)
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44n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A1


(Homo sapiens (human))
BDBM50188575
PNG
(8-(1-(3-methylbenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(C)c2)c1
Show InChI InChI=1S/C22H26N6O2/c1-4-9-27-20-18(21(29)28(10-5-2)22(27)30)24-19(25-20)17-12-23-26(14-17)13-16-8-6-7-15(3)11-16/h6-8,11-12,14H,4-5,9-10,13H2,1-3H3,(H,24,25)
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48n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50188569
PNG
(8-(1-(2-chloro-5-(trifluoromethyl)benzyl)-1H-pyraz...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(ccc2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C22H22ClF3N6O2/c1-3-7-31-19-17(20(33)32(8-4-2)21(31)34)28-18(29-19)14-10-27-30(12-14)11-13-9-15(22(24,25)26)5-6-16(13)23/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,28,29)
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54n/an/an/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human adenosine A3 receptor


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188575
PNG
(8-(1-(3-methylbenzyl)-1H-pyrazol-4-yl)-1,3-dipropy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cccc(C)c2)c1
Show InChI InChI=1S/C22H26N6O2/c1-4-9-27-20-18(21(29)28(10-5-2)22(27)30)24-19(25-20)17-12-23-26(14-17)13-16-8-6-7-15(3)11-16/h6-8,11-12,14H,4-5,9-10,13H2,1-3H3,(H,24,25)
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MMDB

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66n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188553
PNG
(8-(1-benzyl-1H-pyrazol-4-yl)-1,3-diethyl-1H-purine...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C19H20N6O2/c1-3-24-17-15(18(26)25(4-2)19(24)27)21-16(22-17)14-10-20-23(12-14)11-13-8-6-5-7-9-13/h5-10,12H,3-4,11H2,1-2H3,(H,21,22)
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MMDB

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120n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188548
PNG
(8-(1-(4-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C22H23F3N6O2/c1-3-9-30-19-17(20(32)31(10-4-2)21(30)33)27-18(28-19)15-11-26-29(13-15)12-14-5-7-16(8-6-14)22(23,24)25/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,27,28)
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150n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188563
PNG
(8-(1-(4-chloro-3-(trifluoromethyl)benzyl)-1H-pyraz...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(Cl)c(c2)C(F)(F)F)c1
Show InChI InChI=1S/C22H22ClF3N6O2/c1-3-7-31-19-17(20(33)32(8-4-2)21(31)34)28-18(29-19)14-10-27-30(12-14)11-13-5-6-16(23)15(9-13)22(24,25)26/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,28,29)
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200n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188585
PNG
(8-(1-(2-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C22H23F3N6O2/c1-3-9-30-19-17(20(32)31(10-4-2)21(30)33)27-18(28-19)15-11-26-29(13-15)12-14-7-5-6-8-16(14)22(23,24)25/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,27,28)
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230n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188547
PNG
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-diethyl...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2cccc(F)c2)c1
Show InChI InChI=1S/C19H19FN6O2/c1-3-25-17-15(18(27)26(4-2)19(25)28)22-16(23-17)13-9-21-24(11-13)10-12-6-5-7-14(20)8-12/h5-9,11H,3-4,10H2,1-2H3,(H,22,23)
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290n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188555
PNG
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C24H27F3N6O2/c1-14(2)10-32-21-19(22(34)33(23(32)35)11-15(3)4)29-20(30-21)17-9-28-31(13-17)12-16-6-5-7-18(8-16)24(25,26)27/h5-9,13-15H,10-12H2,1-4H3,(H,29,30)
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300n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188589
PNG
(8-(1-(3,5-bis(trifluoromethyl)benzyl)-1H-pyrazol-4...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C23H22F6N6O2/c1-3-5-34-19-17(20(36)35(6-4-2)21(34)37)31-18(32-19)14-10-30-33(12-14)11-13-7-15(22(24,25)26)9-16(8-13)23(27,28)29/h7-10,12H,3-6,11H2,1-2H3,(H,31,32)
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350n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188590
PNG
(8-(1-(3-chloro-2-fluoro-5-(trifluoromethyl)benzyl)...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(cc(Cl)c2F)C(F)(F)F)c1
Show InChI InChI=1S/C22H21ClF4N6O2/c1-3-5-32-19-17(20(34)33(6-4-2)21(32)35)29-18(30-19)13-9-28-31(11-13)10-12-7-14(22(25,26)27)8-15(23)16(12)24/h7-9,11H,3-6,10H2,1-2H3,(H,29,30)
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360n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A1


(Homo sapiens (human))
BDBM50188547
PNG
(8-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1,3-diethyl...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2cccc(F)c2)c1
Show InChI InChI=1S/C19H19FN6O2/c1-3-25-17-15(18(27)26(4-2)19(25)28)22-16(23-17)13-9-21-24(11-13)10-12-6-5-7-14(20)8-12/h5-9,11H,3-4,10H2,1-2H3,(H,22,23)
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380n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188591
PNG
(8-(1-(3-(trifluoromethyl)-4-methoxybenzyl)-1H-pyra...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(OC)c(c2)C(F)(F)F)c1
Show InChI InChI=1S/C23H25F3N6O3/c1-4-8-31-20-18(21(33)32(9-5-2)22(31)34)28-19(29-20)15-11-27-30(13-15)12-14-6-7-17(35-3)16(10-14)23(24,25)26/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3,(H,28,29)
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410n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188583
PNG
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C20H19F3N6O2/c1-3-28-17-15(18(30)29(4-2)19(28)31)25-16(26-17)13-9-24-27(11-13)10-12-6-5-7-14(8-12)20(21,22)23/h5-9,11H,3-4,10H2,1-2H3,(H,25,26)
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450n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A1


(Homo sapiens (human))
BDBM50188583
PNG
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C20H19F3N6O2/c1-3-28-17-15(18(30)29(4-2)19(28)31)25-16(26-17)13-9-24-27(11-13)10-12-6-5-7-14(8-12)20(21,22)23/h5-9,11H,3-4,10H2,1-2H3,(H,25,26)
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570n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A1


(Homo sapiens (human))
BDBM50188553
PNG
(8-(1-benzyl-1H-pyrazol-4-yl)-1,3-diethyl-1H-purine...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C19H20N6O2/c1-3-24-17-15(18(26)25(4-2)19(24)27)21-16(22-17)14-10-20-23(12-14)11-13-8-6-5-7-9-13/h5-10,12H,3-4,11H2,1-2H3,(H,21,22)
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580n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188587
PNG
(8-(1-(4-fluoro-3-(trifluoromethyl)benzyl)-1H-pyraz...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2ccc(F)c(c2)C(F)(F)F)c1
Show InChI InChI=1S/C22H22F4N6O2/c1-3-7-31-19-17(20(33)32(8-4-2)21(31)34)28-18(29-19)14-10-27-30(12-14)11-13-5-6-16(23)15(9-13)22(24,25)26/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,28,29)
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640n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50236738
PNG
(3-ethyl-1-propyl-8-(1-(3-(trifluoromethyl)benzyl)-...)
Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C21H21F3N6O2/c1-3-8-30-19(31)16-18(29(4-2)20(30)32)27-17(26-16)14-10-25-28(12-14)11-13-6-5-7-15(9-13)21(22,23)24/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,26,27)
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1.07E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ABMECA from human recombinant adenosine A3 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50236738
PNG
(3-ethyl-1-propyl-8-(1-(3-(trifluoromethyl)benzyl)-...)
Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C21H21F3N6O2/c1-3-8-30-19(31)16-18(29(4-2)20(30)32)27-17(26-16)14-10-25-28(12-14)11-13-6-5-7-15(9-13)21(22,23)24/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,26,27)
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1.07E+3n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A3 receptor


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A1


(Homo sapiens (human))
BDBM50188569
PNG
(8-(1-(2-chloro-5-(trifluoromethyl)benzyl)-1H-pyraz...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(ccc2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C22H22ClF3N6O2/c1-3-7-31-19-17(20(33)32(8-4-2)21(31)34)28-18(29-19)14-10-27-30(12-14)11-13-9-15(22(24,25)26)5-6-16(13)23/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,28,29)
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1.20E+3n/an/an/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human adenosine A1 receptor


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A1


(Homo sapiens (human))
BDBM50188569
PNG
(8-(1-(2-chloro-5-(trifluoromethyl)benzyl)-1H-pyraz...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(ccc2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C22H22ClF3N6O2/c1-3-7-31-19-17(20(33)32(8-4-2)21(31)34)28-18(29-19)14-10-27-30(12-14)11-13-9-15(22(24,25)26)5-6-16(13)23/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,28,29)
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1.20E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188569
PNG
(8-(1-(2-chloro-5-(trifluoromethyl)benzyl)-1H-pyraz...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(ccc2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C22H22ClF3N6O2/c1-3-7-31-19-17(20(33)32(8-4-2)21(31)34)28-18(29-19)14-10-27-30(12-14)11-13-9-15(22(24,25)26)5-6-16(13)23/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,28,29)
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1.40E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188569
PNG
(8-(1-(2-chloro-5-(trifluoromethyl)benzyl)-1H-pyraz...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(ccc2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C22H22ClF3N6O2/c1-3-7-31-19-17(20(33)32(8-4-2)21(31)34)28-18(29-19)14-10-27-30(12-14)11-13-9-15(22(24,25)26)5-6-16(13)23/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,28,29)
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1.40E+3n/an/an/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity against human adenosine A2A receptor


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A1


(Homo sapiens (human))
BDBM50236738
PNG
(3-ethyl-1-propyl-8-(1-(3-(trifluoromethyl)benzyl)-...)
Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C21H21F3N6O2/c1-3-8-30-19(31)16-18(29(4-2)20(30)32)27-17(26-16)14-10-25-28(12-14)11-13-6-5-7-15(9-13)21(22,23)24/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,26,27)
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1.94E+3n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A1 receptor


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A1


(Homo sapiens (human))
BDBM50236738
PNG
(3-ethyl-1-propyl-8-(1-(3-(trifluoromethyl)benzyl)-...)
Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C21H21F3N6O2/c1-3-8-30-19(31)16-18(29(4-2)20(30)32)27-17(26-16)14-10-25-28(12-14)11-13-6-5-7-15(9-13)21(22,23)24/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,26,27)
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1.94E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human recombinant adenosine A1 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50188572
PNG
(8-(1-benzyl-1H-pyrazol-4-yl)-1,3-dimethyl-1H-purin...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C17H16N6O2/c1-21-15-13(16(24)22(2)17(21)25)19-14(20-15)12-8-18-23(10-12)9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,19,20)
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2.30E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50188569
PNG
(8-(1-(2-chloro-5-(trifluoromethyl)benzyl)-1H-pyraz...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2cc(ccc2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C22H22ClF3N6O2/c1-3-7-31-19-17(20(33)32(8-4-2)21(31)34)28-18(29-19)14-10-27-30(12-14)11-13-9-15(22(24,25)26)5-6-16(13)23/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,28,29)
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2.80E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A1


(Homo sapiens (human))
BDBM50188555
PNG
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C24H27F3N6O2/c1-14(2)10-32-21-19(22(34)33(23(32)35)11-15(3)4)29-20(30-21)17-9-28-31(13-17)12-16-6-5-7-18(8-16)24(25,26)27/h5-9,13-15H,10-12H2,1-4H3,(H,29,30)
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3.10E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50236738
PNG
(3-ethyl-1-propyl-8-(1-(3-(trifluoromethyl)benzyl)-...)
Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C21H21F3N6O2/c1-3-8-30-19(31)16-18(29(4-2)20(30)32)27-17(26-16)14-10-25-28(12-14)11-13-6-5-7-15(9-13)21(22,23)24/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,26,27)
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3.28E+3n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50236738
PNG
(3-ethyl-1-propyl-8-(1-(3-(trifluoromethyl)benzyl)-...)
Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C21H21F3N6O2/c1-3-8-30-19(31)16-18(29(4-2)20(30)32)27-17(26-16)14-10-25-28(12-14)11-13-6-5-7-15(9-13)21(22,23)24/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,26,27)
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3.28E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM-241385 from human recombinant adenosine A2A receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188572
PNG
(8-(1-benzyl-1H-pyrazol-4-yl)-1,3-dimethyl-1H-purin...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C17H16N6O2/c1-21-15-13(16(24)22(2)17(21)25)19-14(20-15)12-8-18-23(10-12)9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,19,20)
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3.50E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50188555
PNG
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(CC(C)C)c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C24H27F3N6O2/c1-14(2)10-32-21-19(22(34)33(23(32)35)11-15(3)4)29-20(30-21)17-9-28-31(13-17)12-16-6-5-7-18(8-16)24(25,26)27/h5-9,13-15H,10-12H2,1-4H3,(H,29,30)
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4.30E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A1


(Homo sapiens (human))
BDBM50188572
PNG
(8-(1-benzyl-1H-pyrazol-4-yl)-1,3-dimethyl-1H-purin...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C17H16N6O2/c1-21-15-13(16(24)22(2)17(21)25)19-14(20-15)12-8-18-23(10-12)9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,19,20)
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>6.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A1


(Homo sapiens (human))
BDBM50236738
PNG
(3-ethyl-1-propyl-8-(1-(3-(trifluoromethyl)benzyl)-...)
Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C21H21F3N6O2/c1-3-8-30-19(31)16-18(29(4-2)20(30)32)27-17(26-16)14-10-25-28(12-14)11-13-6-5-7-15(9-13)21(22,23)24/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,26,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A1 receptor


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50236738
PNG
(3-ethyl-1-propyl-8-(1-(3-(trifluoromethyl)benzyl)-...)
Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C21H21F3N6O2/c1-3-8-30-19(31)16-18(29(4-2)20(30)32)27-17(26-16)14-10-25-28(12-14)11-13-6-5-7-15(9-13)21(22,23)24/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,26,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


Citation and Details
More data for this
Ligand-Target Pair
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