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15 similar compounds to monomer 50176751

Wt: 528.4
BDBM50176737
Wt: 485.4
BDBM50176739
Wt: 494.9
BDBM50176740
Wt: 528.4
BDBM50176742
Wt: 490.5
BDBM50176744
Wt: 490.5
BDBM50176745
Wt: 490.5
BDBM50176749
Wt: 494.9
BDBM50176752
Wt: 528.4
BDBM50176756
Wt: 485.4
BDBM50176757
Wt: 474.5
BDBM50176766
Wt: 474.5
BDBM50176767
Wt: 494.9
BDBM50176769
Wt: 460.4
BDBM50233109
Wt: 480.9
BDBM50376938

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 64 hits for monomerid = 50176737,50176739,50176740,50176742,50176744,50176745,50176749,50176752,50176756,50176757,50176766,50176767,50176769,50233109,50376938   
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))
BDBM50176739
PNG
(4-(3-((4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydr...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C24H23N9O3/c1-3-9-32-21-19(23(34)33(10-4-2)24(32)35)28-20(29-21)17-12-26-31(13-17)14-18-27-22(36-30-18)16-7-5-15(11-25)6-8-16/h5-8,12-13H,3-4,9-10,14H2,1-2H3,(H,28,29)
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14n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2B receptor expressed in HEK cells


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


(Homo sapiens (Human))
BDBM50376938
PNG
(CHEMBL428086)
Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2nc(no2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C22H21ClN8O3/c1-3-9-31-21(32)17-20(30(4-2)22(31)33)27-18(26-17)14-10-24-29(11-14)12-16-25-19(28-34-16)13-5-7-15(23)8-6-13/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,26,27)
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16n/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))
BDBM50176757
PNG
(4-(5-((4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydr...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C24H23N9O3/c1-3-9-32-22-19(23(34)33(10-4-2)24(32)35)28-20(29-22)17-12-26-31(13-17)14-18-27-21(30-36-18)16-7-5-15(11-25)6-8-16/h5-8,12-13H,3-4,9-10,14H2,1-2H3,(H,28,29)
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18n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2B receptor expressed in HEK cells


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


(Homo sapiens (Human))
BDBM50176769
PNG
(8-(1-((3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl)met...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2Cl)c1
Show InChI InChI=1S/C23H23ClN8O3/c1-3-9-31-21-18(22(33)32(10-4-2)23(31)34)27-19(28-21)14-11-25-30(12-14)13-17-26-20(29-35-17)15-7-5-6-8-16(15)24/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,27,28)
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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 Adenosine A2B receptor expressed in HEK cells


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


(Homo sapiens (Human))
BDBM50233109
PNG
(8-(1-((5-phenyl-1,2,4-oxadiazol-3-yl)methyl)-1H-py...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2)c1
Show InChI InChI=1S/C23H24N8O3/c1-3-10-30-20-18(22(32)31(11-4-2)23(30)33)26-19(27-20)16-12-24-29(13-16)14-17-25-21(34-28-17)15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,26,27)
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21n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2B receptor expressed in HEK cells


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


(Homo sapiens (Human))
BDBM50233109
PNG
(8-(1-((5-phenyl-1,2,4-oxadiazol-3-yl)methyl)-1H-py...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2)c1
Show InChI InChI=1S/C23H24N8O3/c1-3-10-30-20-18(22(32)31(11-4-2)23(30)33)26-19(27-20)16-12-24-29(13-16)14-17-25-21(34-28-17)15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,26,27)
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21n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human A2B receptor expressed in HEK293 cell membranes


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


(Homo sapiens (Human))
BDBM50176740
PNG
(8-(1-((3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)met...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C23H23ClN8O3/c1-3-9-31-21-18(22(33)32(10-4-2)23(31)34)27-19(28-21)15-11-25-30(12-15)13-17-26-20(29-35-17)14-5-7-16(24)8-6-14/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,27,28)
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21n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2B receptor expressed in HEK cells


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


(Homo sapiens (Human))
BDBM50176752
PNG
(8-(1-((3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl)met...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2cccc(Cl)c2)c1
Show InChI InChI=1S/C23H23ClN8O3/c1-3-8-31-21-18(22(33)32(9-4-2)23(31)34)27-19(28-21)15-11-25-30(12-15)13-17-26-20(29-35-17)14-6-5-7-16(24)10-14/h5-7,10-12H,3-4,8-9,13H2,1-2H3,(H,27,28)
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32n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2B receptor expressed in HEK cells


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


(Homo sapiens (Human))
BDBM50176737
PNG
(1,3-dipropyl-8-(1-((3-(3-(trifluoromethyl)phenyl)-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C24H23F3N8O3/c1-3-8-34-21-18(22(36)35(9-4-2)23(34)37)30-19(31-21)15-11-28-33(12-15)13-17-29-20(32-38-17)14-6-5-7-16(10-14)24(25,26)27/h5-7,10-12H,3-4,8-9,13H2,1-2H3,(H,30,31)
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42n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2B receptor expressed in HEK cells


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


(Homo sapiens (Human))
BDBM50176767
PNG
(1,3-dipropyl-8-(1-((3-p-tolyl-1,2,4-oxadiazol-5-yl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(C)cc2)c1
Show InChI InChI=1S/C24H26N8O3/c1-4-10-31-22-19(23(33)32(11-5-2)24(31)34)27-20(28-22)17-12-25-30(13-17)14-18-26-21(29-35-18)16-8-6-15(3)7-9-16/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,27,28)
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54n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2B receptor expressed in HEK cells


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


(Homo sapiens (Human))
BDBM50176756
PNG
(1,3-dipropyl-8-(1-((3-(4-(trifluoromethyl)phenyl)-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C24H23F3N8O3/c1-3-9-34-21-18(22(36)35(10-4-2)23(34)37)30-19(31-21)15-11-28-33(12-15)13-17-29-20(32-38-17)14-5-7-16(8-6-14)24(25,26)27/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,30,31)
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55n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2B receptor expressed in HEK cells


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


(Homo sapiens (Human))
BDBM50176742
PNG
(1,3-dipropyl-8-(1-((3-(2-(trifluoromethyl)phenyl)-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C24H23F3N8O3/c1-3-9-34-21-18(22(36)35(10-4-2)23(34)37)30-19(31-21)14-11-28-33(12-14)13-17-29-20(32-38-17)15-7-5-6-8-16(15)24(25,26)27/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,30,31)
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74n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2B receptor expressed in HEK cells


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


(Homo sapiens (Human))
BDBM50176745
PNG
(8-(1-((3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl)me...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2OC)c1
Show InChI InChI=1S/C24H26N8O4/c1-4-10-31-22-19(23(33)32(11-5-2)24(31)34)27-20(28-22)15-12-25-30(13-15)14-18-26-21(29-36-18)16-8-6-7-9-17(16)35-3/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,27,28)
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82n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2B receptor expressed in HEK cells


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


(Homo sapiens (Human))
BDBM50176749
PNG
(8-(1-((3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl)me...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2cccc(OC)c2)c1
Show InChI InChI=1S/C24H26N8O4/c1-4-9-31-22-19(23(33)32(10-5-2)24(31)34)27-20(28-22)16-12-25-30(13-16)14-18-26-21(29-36-18)15-7-6-8-17(11-15)35-3/h6-8,11-13H,4-5,9-10,14H2,1-3H3,(H,27,28)
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82n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2B receptor expressed in HEK cells


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


(Homo sapiens (Human))
BDBM50176744
PNG
(8-(1-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)me...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(OC)cc2)c1
Show InChI InChI=1S/C24H26N8O4/c1-4-10-31-22-19(23(33)32(11-5-2)24(31)34)27-20(28-22)16-12-25-30(13-16)14-18-26-21(29-36-18)15-6-8-17(35-3)9-7-15/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,27,28)
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106n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2B receptor expressed in HEK cells


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


(Homo sapiens (Human))
BDBM50176766
PNG
(1,3-dipropyl-8-(1-((3-m-tolyl-1,2,4-oxadiazol-5-yl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2cccc(C)c2)c1
Show InChI InChI=1S/C24H26N8O3/c1-4-9-31-22-19(23(33)32(10-5-2)24(31)34)27-20(28-22)17-12-25-30(13-17)14-18-26-21(29-35-18)16-8-6-7-15(3)11-16/h6-8,11-13H,4-5,9-10,14H2,1-3H3,(H,27,28)
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128n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2B receptor expressed in HEK cells


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


(Homo sapiens (human))
BDBM50176742
PNG
(1,3-dipropyl-8-(1-((3-(2-(trifluoromethyl)phenyl)-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C24H23F3N8O3/c1-3-9-34-21-18(22(36)35(10-4-2)23(34)37)30-19(31-21)14-11-28-33(12-14)13-17-29-20(32-38-17)15-7-5-6-8-16(15)24(25,26)27/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,30,31)
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340n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50176740
PNG
(8-(1-((3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)met...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C23H23ClN8O3/c1-3-9-31-21-18(22(33)32(10-4-2)23(31)34)27-19(28-21)15-11-25-30(12-15)13-17-26-20(29-35-17)14-5-7-16(24)8-6-14/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,27,28)
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400n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50176745
PNG
(8-(1-((3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl)me...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2OC)c1
Show InChI InChI=1S/C24H26N8O4/c1-4-10-31-22-19(23(33)32(11-5-2)24(31)34)27-20(28-22)15-12-25-30(13-15)14-18-26-21(29-36-18)16-8-6-7-9-17(16)35-3/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,27,28)
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410n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50376938
PNG
(CHEMBL428086)
Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2nc(no2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C22H21ClN8O3/c1-3-9-31-21(32)17-20(30(4-2)22(31)33)27-18(26-17)14-10-24-29(11-14)12-16-25-19(28-34-16)13-5-7-15(23)8-6-13/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,26,27)
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413n/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))
BDBM50176769
PNG
(8-(1-((3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl)met...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2Cl)c1
Show InChI InChI=1S/C23H23ClN8O3/c1-3-9-31-21-18(22(33)32(10-4-2)23(31)34)27-19(28-21)14-11-25-30(12-14)13-17-26-20(29-35-17)15-7-5-6-8-16(15)24/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,27,28)
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490n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50176752
PNG
(8-(1-((3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl)met...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2cccc(Cl)c2)c1
Show InChI InChI=1S/C23H23ClN8O3/c1-3-8-31-21-18(22(33)32(9-4-2)23(31)34)27-19(28-21)15-11-25-30(12-15)13-17-26-20(29-35-17)14-6-5-7-16(24)10-14/h5-7,10-12H,3-4,8-9,13H2,1-2H3,(H,27,28)
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490n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50176742
PNG
(1,3-dipropyl-8-(1-((3-(2-(trifluoromethyl)phenyl)-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C24H23F3N8O3/c1-3-9-34-21-18(22(36)35(10-4-2)23(34)37)30-19(31-21)14-11-28-33(12-14)13-17-29-20(32-38-17)15-7-5-6-8-16(15)24(25,26)27/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,30,31)
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530n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50176739
PNG
(4-(3-((4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydr...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C24H23N9O3/c1-3-9-32-21-19(23(34)33(10-4-2)24(32)35)28-20(29-21)17-12-26-31(13-17)14-18-27-22(36-30-18)16-7-5-15(11-25)6-8-16/h5-8,12-13H,3-4,9-10,14H2,1-2H3,(H,28,29)
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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 Adenosine A1 receptor expressed in CHO cells


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


(Homo sapiens (human))
BDBM50176749
PNG
(8-(1-((3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl)me...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2cccc(OC)c2)c1
Show InChI InChI=1S/C24H26N8O4/c1-4-9-31-22-19(23(33)32(10-5-2)24(31)34)27-20(28-22)16-12-25-30(13-16)14-18-26-21(29-36-18)15-7-6-8-17(11-15)35-3/h6-8,11-13H,4-5,9-10,14H2,1-3H3,(H,27,28)
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600n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50233109
PNG
(8-(1-((5-phenyl-1,2,4-oxadiazol-3-yl)methyl)-1H-py...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2)c1
Show InChI InChI=1S/C23H24N8O3/c1-3-10-30-20-18(22(32)31(11-4-2)23(30)33)26-19(27-20)16-12-24-29(13-16)14-17-25-21(34-28-17)15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,26,27)
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630n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50233109
PNG
(8-(1-((5-phenyl-1,2,4-oxadiazol-3-yl)methyl)-1H-py...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2)c1
Show InChI InChI=1S/C23H24N8O3/c1-3-10-30-20-18(22(32)31(11-4-2)23(30)33)26-19(27-20)16-12-24-29(13-16)14-17-25-21(34-28-17)15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,26,27)
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630n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50176739
PNG
(4-(3-((4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydr...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C24H23N9O3/c1-3-9-32-21-19(23(34)33(10-4-2)24(32)35)28-20(29-21)17-12-26-31(13-17)14-18-27-22(36-30-18)16-7-5-15(11-25)6-8-16/h5-8,12-13H,3-4,9-10,14H2,1-2H3,(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 [125I]AB-MECA from Adenosine A3 receptor expressed in CHO cells


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


(Homo sapiens (human))
BDBM50176752
PNG
(8-(1-((3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl)met...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2cccc(Cl)c2)c1
Show InChI InChI=1S/C23H23ClN8O3/c1-3-8-31-21-18(22(33)32(9-4-2)23(31)34)27-19(28-21)15-11-25-30(12-15)13-17-26-20(29-35-17)14-6-5-7-16(24)10-14/h5-7,10-12H,3-4,8-9,13H2,1-2H3,(H,27,28)
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652n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50176740
PNG
(8-(1-((3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)met...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C23H23ClN8O3/c1-3-9-31-21-18(22(33)32(10-4-2)23(31)34)27-19(28-21)15-11-25-30(12-15)13-17-26-20(29-35-17)14-5-7-16(24)8-6-14/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,27,28)
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740n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50376938
PNG
(CHEMBL428086)
Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2nc(no2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C22H21ClN8O3/c1-3-9-31-21(32)17-20(30(4-2)22(31)33)27-18(26-17)14-10-24-29(11-14)12-16-25-19(28-34-16)13-5-7-15(23)8-6-13/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,26,27)
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910n/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 A3


(Homo sapiens (human))
BDBM50176757
PNG
(4-(5-((4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydr...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C24H23N9O3/c1-3-9-32-22-19(23(34)33(10-4-2)24(32)35)28-20(29-22)17-12-26-31(13-17)14-18-27-21(30-36-18)16-7-5-15(11-25)6-8-16/h5-8,12-13H,3-4,9-10,14H2,1-2H3,(H,28,29)
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950n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50176737
PNG
(1,3-dipropyl-8-(1-((3-(3-(trifluoromethyl)phenyl)-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C24H23F3N8O3/c1-3-8-34-21-18(22(36)35(9-4-2)23(34)37)30-19(31-21)15-11-28-33(12-15)13-17-29-20(32-38-17)14-6-5-7-16(10-14)24(25,26)27/h5-7,10-12H,3-4,8-9,13H2,1-2H3,(H,30,31)
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960n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50176766
PNG
(1,3-dipropyl-8-(1-((3-m-tolyl-1,2,4-oxadiazol-5-yl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2cccc(C)c2)c1
Show InChI InChI=1S/C24H26N8O3/c1-4-9-31-22-19(23(33)32(10-5-2)24(31)34)27-20(28-22)17-12-25-30(13-17)14-18-26-21(29-35-18)16-8-6-7-15(3)11-16/h6-8,11-13H,4-5,9-10,14H2,1-3H3,(H,27,28)
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970n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50233109
PNG
(8-(1-((5-phenyl-1,2,4-oxadiazol-3-yl)methyl)-1H-py...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2)c1
Show InChI InChI=1S/C23H24N8O3/c1-3-10-30-20-18(22(32)31(11-4-2)23(30)33)26-19(27-20)16-12-24-29(13-16)14-17-25-21(34-28-17)15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,26,27)
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1.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CPX from human A1 receptor expressed in CHO cell membranes


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


(Homo sapiens (human))
BDBM50233109
PNG
(8-(1-((5-phenyl-1,2,4-oxadiazol-3-yl)methyl)-1H-py...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2)c1
Show InChI InChI=1S/C23H24N8O3/c1-3-10-30-20-18(22(32)31(11-4-2)23(30)33)26-19(27-20)16-12-24-29(13-16)14-17-25-21(34-28-17)15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,26,27)
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1.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50176757
PNG
(4-(5-((4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydr...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C24H23N9O3/c1-3-9-32-22-19(23(34)33(10-4-2)24(32)35)28-20(29-22)17-12-26-31(13-17)14-18-27-21(30-36-18)16-7-5-15(11-25)6-8-16/h5-8,12-13H,3-4,9-10,14H2,1-2H3,(H,28,29)
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1.30E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50176756
PNG
(1,3-dipropyl-8-(1-((3-(4-(trifluoromethyl)phenyl)-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C24H23F3N8O3/c1-3-9-34-21-18(22(36)35(10-4-2)23(34)37)30-19(31-21)15-11-28-33(12-15)13-17-29-20(32-38-17)14-5-7-16(8-6-14)24(25,26)27/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,30,31)
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1.30E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50176766
PNG
(1,3-dipropyl-8-(1-((3-m-tolyl-1,2,4-oxadiazol-5-yl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2cccc(C)c2)c1
Show InChI InChI=1S/C24H26N8O3/c1-4-9-31-22-19(23(33)32(10-5-2)24(31)34)27-20(28-22)17-12-25-30(13-17)14-18-26-21(29-35-18)16-8-6-7-15(3)11-16/h6-8,11-13H,4-5,9-10,14H2,1-3H3,(H,27,28)
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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]CPX from Adenosine A1 receptor expressed in CHO cells


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


(Homo sapiens (human))
BDBM50176744
PNG
(8-(1-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)me...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(OC)cc2)c1
Show InChI InChI=1S/C24H26N8O4/c1-4-10-31-22-19(23(33)32(11-5-2)24(31)34)27-20(28-22)16-12-25-30(13-16)14-18-26-21(29-36-18)15-6-8-17(35-3)9-7-15/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,27,28)
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1.50E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50176745
PNG
(8-(1-((3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl)me...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2OC)c1
Show InChI InChI=1S/C24H26N8O4/c1-4-10-31-22-19(23(33)32(11-5-2)24(31)34)27-20(28-22)15-12-25-30(13-15)14-18-26-21(29-36-18)16-8-6-7-9-17(16)35-3/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,27,28)
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1.60E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2A receptor expressed in HEK cells


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


(Homo sapiens (human))
BDBM50233109
PNG
(8-(1-((5-phenyl-1,2,4-oxadiazol-3-yl)methyl)-1H-py...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2)c1
Show InChI InChI=1S/C23H24N8O3/c1-3-10-30-20-18(22(32)31(11-4-2)23(30)33)26-19(27-20)16-12-24-29(13-16)14-17-25-21(34-28-17)15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,26,27)
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1.80E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2A receptor expressed in HEK cells


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


(Homo sapiens (human))
BDBM50233109
PNG
(8-(1-((5-phenyl-1,2,4-oxadiazol-3-yl)methyl)-1H-py...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2noc(n2)-c2ccccc2)c1
Show InChI InChI=1S/C23H24N8O3/c1-3-10-30-20-18(22(32)31(11-4-2)23(30)33)26-19(27-20)16-12-24-29(13-16)14-17-25-21(34-28-17)15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,26,27)
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1.80E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes


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


(Homo sapiens (human))
BDBM50176740
PNG
(8-(1-((3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)met...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C23H23ClN8O3/c1-3-9-31-21-18(22(33)32(10-4-2)23(31)34)27-19(28-21)15-11-25-30(12-15)13-17-26-20(29-35-17)14-5-7-16(24)8-6-14/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,27,28)
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1.80E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2A receptor expressed in HEK cells


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


(Homo sapiens (human))
BDBM50176745
PNG
(8-(1-((3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl)me...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2OC)c1
Show InChI InChI=1S/C24H26N8O4/c1-4-10-31-22-19(23(33)32(11-5-2)24(31)34)27-20(28-22)15-12-25-30(13-15)14-18-26-21(29-36-18)16-8-6-7-9-17(16)35-3/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,27,28)
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1.90E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50176749
PNG
(8-(1-((3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl)me...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2cccc(OC)c2)c1
Show InChI InChI=1S/C24H26N8O4/c1-4-9-31-22-19(23(33)32(10-5-2)24(31)34)27-20(28-22)16-12-25-30(13-16)14-18-26-21(29-36-18)15-7-6-8-17(11-15)35-3/h6-8,11-13H,4-5,9-10,14H2,1-3H3,(H,27,28)
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2.20E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50176769
PNG
(8-(1-((3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl)met...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2Cl)c1
Show InChI InChI=1S/C23H23ClN8O3/c1-3-9-31-21-18(22(33)32(10-4-2)23(31)34)27-19(28-21)14-11-25-30(12-14)13-17-26-20(29-35-17)15-7-5-6-8-16(15)24/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,27,28)
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2.50E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50176769
PNG
(8-(1-((3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl)met...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccccc2Cl)c1
Show InChI InChI=1S/C23H23ClN8O3/c1-3-9-31-21-18(22(33)32(10-4-2)23(31)34)27-19(28-21)14-11-25-30(12-14)13-17-26-20(29-35-17)15-7-5-6-8-16(15)24/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,27,28)
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2.50E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2A receptor expressed in HEK cells


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


(Homo sapiens (human))
BDBM50176767
PNG
(1,3-dipropyl-8-(1-((3-p-tolyl-1,2,4-oxadiazol-5-yl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(C)cc2)c1
Show InChI InChI=1S/C24H26N8O3/c1-4-10-31-22-19(23(33)32(11-5-2)24(31)34)27-20(28-22)17-12-25-30(13-17)14-18-26-21(29-35-18)16-8-6-15(3)7-9-16/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,27,28)
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2.60E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50176767
PNG
(1,3-dipropyl-8-(1-((3-p-tolyl-1,2,4-oxadiazol-5-yl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(Cc2nc(no2)-c2ccc(C)cc2)c1
Show InChI InChI=1S/C24H26N8O3/c1-4-10-31-22-19(23(33)32(11-5-2)24(31)34)27-20(28-22)17-12-25-30(13-17)14-18-26-21(29-35-18)16-8-6-15(3)7-9-16/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,27,28)
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3.00E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from Adenosine A2A receptor expressed in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
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