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21 similar compounds to monomer 50190706

Compile data set for download or QSAR
Wt: 476.5
BDBM50004562
Wt: 476.5
BDBM50021008
Wt: 490.6
BDBM50021010
Wt: 462.5
BDBM50020986
Wt: 434.5
BDBM50020987
Wt: 391.4
BDBM50021452
Wt: 377.4
BDBM50190701
Wt: 453.5
BDBM50190702
Wt: 433.5
BDBM50190703
Wt: 393.4
BDBM50190704
Wt: 407.4
BDBM50190705
Wt: 508.5
BDBM50190709
Purchase
Wt: 425.4
BDBM50190710
Wt: 494.5
BDBM50268108
Wt: 526.5
BDBM50268132
Displayed 1 to 15 (of 21 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 77 hits for monomerid = 50004562,50021008,50021010,50020986,50020987,50021452,50190701,50190702,50190703,50190704,50190705,50190709,50190710,50268108,50268132   
Target/Host
(Institution)
LigandTarget/Host
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))
BDBM50268132
PNG
(8-(4-(4-(4-Fluorobenzyl)piperazine-1-sulfonyl)phen...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C25H27FN6O4S/c1-2-11-32-24(33)21-23(29-25(32)34)28-22(27-21)18-5-9-20(10-6-18)37(35,36)31-14-12-30(13-15-31)16-17-3-7-19(26)8-4-17/h3-10H,2,11-16H2,1H3,(H,27,28)(H,29,34)
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0.595n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells


J Med Chem 52: 3994-4006 (2009)


Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50268108
PNG
(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-eth...)
Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H26N6O4S/c1-2-30-23(31)20-22(27-24(30)32)26-21(25-20)18-8-10-19(11-9-18)35(33,34)29-14-12-28(13-15-29)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H,25,26)(H,27,32)
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1.15n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells


J Med Chem 52: 3994-4006 (2009)


Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50190709
PNG
(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
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1.33n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells


J Med Chem 52: 3994-4006 (2009)


Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50190710
PNG
(8-[4-(phenylamidosulfonyl)phenyl]-1-propylxanthine...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C20H19N5O4S/c1-2-12-25-19(26)16-18(23-20(25)27)22-17(21-16)13-8-10-15(11-9-13)30(28,29)24-14-6-4-3-5-7-14/h3-11,24H,2,12H2,1H3,(H,21,22)(H,23,27)
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1.80n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes


J Med Chem 49: 4384-91 (2006)


Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50190709
PNG
(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
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3.60n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2B receptor


J Med Chem 52: 3994-4006 (2009)


Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50190709
PNG
(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
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3.60n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB298 from human recombinant adenosine A2B receptor expressed in CHO cells


J Med Chem 49: 4384-91 (2006)


Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50190709
PNG
(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
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3.60n/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


Eur J Med Chem 45: 3459-71 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.039
BindingDB Entry DOI: 10.7270/Q2K074GG
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50190702
PNG
(8-[4-(phenylethylamidosulfonyl)phenyl]-1-propylxan...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccc1
Show InChI InChI=1S/C22H23N5O4S/c1-2-14-27-21(28)18-20(26-22(27)29)25-19(24-18)16-8-10-17(11-9-16)32(30,31)23-13-12-15-6-4-3-5-7-15/h3-11,23H,2,12-14H2,1H3,(H,24,25)(H,26,29)
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3.62n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB298 from human recombinant adenosine A2B receptor expressed in CHO cells


J Med Chem 49: 4384-91 (2006)


Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50190703
PNG
(8-[4-(dipropylamidosulfonyl)phenyl]-1-propylxanthi...)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)-c1nc2[nH]c(=O)n(CCC)c(=O)c2[nH]1
Show InChI InChI=1S/C20H27N5O4S/c1-4-11-24(12-5-2)30(28,29)15-9-7-14(8-10-15)17-21-16-18(22-17)23-20(27)25(13-6-3)19(16)26/h7-10H,4-6,11-13H2,1-3H3,(H,21,22)(H,23,27)
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5.5n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes


J Med Chem 49: 4384-91 (2006)


Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021452
PNG
(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H21N5O4S/c1-3-9-21-15-13(16(23)22(10-4-2)17(21)24)19-14(20-15)11-5-7-12(8-6-11)27(18,25)26/h5-8H,3-4,9-10H2,1-2H3,(H,19,20)(H2,18,25,26)
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8.5n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]-PIA as radioligand


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021452
PNG
(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H21N5O4S/c1-3-9-21-15-13(16(23)22(10-4-2)17(21)24)19-14(20-15)11-5-7-12(8-6-11)27(18,25)26/h5-8H,3-4,9-10H2,1-2H3,(H,19,20)(H2,18,25,26)
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8.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against A1 adenosine receptors of the central nervous system


J Med Chem 29: 1520-4 (1986)


Article DOI: 10.1021/jm00158a034
BindingDB Entry DOI: 10.7270/Q25Q4V25
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50190702
PNG
(8-[4-(phenylethylamidosulfonyl)phenyl]-1-propylxan...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccc1
Show InChI InChI=1S/C22H23N5O4S/c1-2-14-27-21(28)18-20(26-22(27)29)25-19(24-18)16-8-10-17(11-9-16)32(30,31)23-13-12-15-6-4-3-5-7-15/h3-11,23H,2,12-14H2,1H3,(H,24,25)(H,26,29)
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10n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes


J Med Chem 49: 4384-91 (2006)


Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50004562
PNG
(CHEMBL308499 | N-(2-Dimethylamino-ethyl)-4-(2,6-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)N(C)CCN(C)C
Show InChI InChI=1S/C22H32N6O4S/c1-6-12-27-20-18(21(29)28(13-7-2)22(27)30)23-19(24-20)16-8-10-17(11-9-16)33(31,32)26(5)15-14-25(3)4/h8-11H,6-7,12-15H2,1-5H3,(H,23,24)
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14n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of N6-[3H]-cyclohexyladenosine binding to adenosine A1 receptor from rat cortical membranes


J Med Chem 35: 2342-5 (1992)


Article DOI: 10.1021/jm00090a027
BindingDB Entry DOI: 10.7270/Q2T43S20
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50004562
PNG
(CHEMBL308499 | N-(2-Dimethylamino-ethyl)-4-(2,6-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)N(C)CCN(C)C
Show InChI InChI=1S/C22H32N6O4S/c1-6-12-27-20-18(21(29)28(13-7-2)22(27)30)23-19(24-20)16-8-10-17(11-9-16)33(31,32)26(5)15-14-25(3)4/h8-11H,6-7,12-15H2,1-5H3,(H,23,24)
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14n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cortical membranes using N6-[3H]cyclohexyladenosine as radioligand


J Med Chem 35: 3066-75 (1992)


Article DOI: 10.1021/jm00094a022
BindingDB Entry DOI: 10.7270/Q2DN45PF
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50004562
PNG
(CHEMBL308499 | N-(2-Dimethylamino-ethyl)-4-(2,6-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)N(C)CCN(C)C
Show InChI InChI=1S/C22H32N6O4S/c1-6-12-27-20-18(21(29)28(13-7-2)22(27)30)23-19(24-20)16-8-10-17(11-9-16)33(31,32)26(5)15-14-25(3)4/h8-11H,6-7,12-15H2,1-5H3,(H,23,24)
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16n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A2 receptor in rat striatal membranes using N-[3H]-ethyladenosin-5''-uronamide as radioligand


J Med Chem 35: 3066-75 (1992)


Article DOI: 10.1021/jm00094a022
BindingDB Entry DOI: 10.7270/Q2DN45PF
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50004562
PNG
(CHEMBL308499 | N-(2-Dimethylamino-ethyl)-4-(2,6-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)N(C)CCN(C)C
Show InChI InChI=1S/C22H32N6O4S/c1-6-12-27-20-18(21(29)28(13-7-2)22(27)30)23-19(24-20)16-8-10-17(11-9-16)33(31,32)26(5)15-14-25(3)4/h8-11H,6-7,12-15H2,1-5H3,(H,23,24)
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16n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-[3H]-ethyladenosin-5''-uronamide binding to adenosine A2 receptor from rat striatal membranes


J Med Chem 35: 2342-5 (1992)


Article DOI: 10.1021/jm00090a027
BindingDB Entry DOI: 10.7270/Q2T43S20
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50190710
PNG
(8-[4-(phenylamidosulfonyl)phenyl]-1-propylxanthine...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C20H19N5O4S/c1-2-12-25-19(26)16-18(23-20(25)27)22-17(21-16)13-8-10-15(11-9-13)30(28,29)24-14-6-4-3-5-7-14/h3-11,24H,2,12H2,1H3,(H,21,22)(H,23,27)
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23n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membranes


J Med Chem 49: 4384-91 (2006)


Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50004562
PNG
(CHEMBL308499 | N-(2-Dimethylamino-ethyl)-4-(2,6-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)N(C)CCN(C)C
Show InChI InChI=1S/C22H32N6O4S/c1-6-12-27-20-18(21(29)28(13-7-2)22(27)30)23-19(24-20)16-8-10-17(11-9-16)33(31,32)26(5)15-14-25(3)4/h8-11H,6-7,12-15H2,1-5H3,(H,23,24)
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26n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor from rat striatal membranes, using N-[3H]-ethyladenosin-5''-uronamide as radioligand (in the presence ...


J Med Chem 35: 2342-5 (1992)


Article DOI: 10.1021/jm00090a027
BindingDB Entry DOI: 10.7270/Q2T43S20
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50004562
PNG
(CHEMBL308499 | N-(2-Dimethylamino-ethyl)-4-(2,6-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)N(C)CCN(C)C
Show InChI InChI=1S/C22H32N6O4S/c1-6-12-27-20-18(21(29)28(13-7-2)22(27)30)23-19(24-20)16-8-10-17(11-9-16)33(31,32)26(5)15-14-25(3)4/h8-11H,6-7,12-15H2,1-5H3,(H,23,24)
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26n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat striatal membranes using N-[3H]-ethyladenosin-5''-uronamide as radioligand in the presence of 5...


J Med Chem 35: 3066-75 (1992)


Article DOI: 10.1021/jm00094a022
BindingDB Entry DOI: 10.7270/Q2DN45PF
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50190704
PNG
(8-[4-(2-Hydroxyethylamidosulfonyl)phenyl]-1-propyl...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCCO
Show InChI InChI=1S/C16H19N5O5S/c1-2-8-21-15(23)12-14(20-16(21)24)19-13(18-12)10-3-5-11(6-4-10)27(25,26)17-7-9-22/h3-6,17,22H,2,7-9H2,1H3,(H,18,19)(H,20,24)
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27.1n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB298 from human recombinant adenosine A2B receptor expressed in CHO cells


J Med Chem 49: 4384-91 (2006)


Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50190710
PNG
(8-[4-(phenylamidosulfonyl)phenyl]-1-propylxanthine...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C20H19N5O4S/c1-2-12-25-19(26)16-18(23-20(25)27)22-17(21-16)13-8-10-15(11-9-13)30(28,29)24-14-6-4-3-5-7-14/h3-11,24H,2,12H2,1H3,(H,21,22)(H,23,27)
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31.4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB298 from human recombinant adenosine A2B receptor expressed in CHO cells


J Med Chem 49: 4384-91 (2006)


Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50268132
PNG
(8-(4-(4-(4-Fluorobenzyl)piperazine-1-sulfonyl)phen...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C25H27FN6O4S/c1-2-11-32-24(33)21-23(29-25(32)34)28-22(27-21)18-5-9-20(10-6-18)37(35,36)31-14-12-30(13-15-31)16-17-3-7-19(26)8-4-17/h3-10H,2,11-16H2,1H3,(H,27,28)(H,29,34)
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33.8n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from rat brain cortex adenosine A1 receptor


J Med Chem 52: 3994-4006 (2009)


Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50190703
PNG
(8-[4-(dipropylamidosulfonyl)phenyl]-1-propylxanthi...)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)-c1nc2[nH]c(=O)n(CCC)c(=O)c2[nH]1
Show InChI InChI=1S/C20H27N5O4S/c1-4-11-24(12-5-2)30(28,29)15-9-7-14(8-10-15)17-21-16-18(22-17)23-20(27)25(13-6-3)19(16)26/h7-10H,4-6,11-13H2,1-3H3,(H,21,22)(H,23,27)
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42n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membranes


J Med Chem 49: 4384-91 (2006)


Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50190704
PNG
(8-[4-(2-Hydroxyethylamidosulfonyl)phenyl]-1-propyl...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCCO
Show InChI InChI=1S/C16H19N5O5S/c1-2-8-21-15(23)12-14(20-16(21)24)19-13(18-12)10-3-5-11(6-4-10)27(25,26)17-7-9-22/h3-6,17,22H,2,7-9H2,1H3,(H,18,19)(H,20,24)
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45n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes


J Med Chem 49: 4384-91 (2006)


Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50190703
PNG
(8-[4-(dipropylamidosulfonyl)phenyl]-1-propylxanthi...)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)-c1nc2[nH]c(=O)n(CCC)c(=O)c2[nH]1
Show InChI InChI=1S/C20H27N5O4S/c1-4-11-24(12-5-2)30(28,29)15-9-7-14(8-10-15)17-21-16-18(22-17)23-20(27)25(13-6-3)19(16)26/h7-10H,4-6,11-13H2,1-3H3,(H,21,22)(H,23,27)
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53.8n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB298 from human recombinant adenosine A2B receptor expressed in CHO cells


J Med Chem 49: 4384-91 (2006)


Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50190701
PNG
(8-[4-(isopropylamidosulfonyl)phenyl]-1,3-dimethylx...)
Show SMILES CC(C)NS(=O)(=O)c1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C16H19N5O4S/c1-9(2)19-26(24,25)11-7-5-10(6-8-11)13-17-12-14(18-13)20(3)16(23)21(4)15(12)22/h5-9,19H,1-4H3,(H,17,18)
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75n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes


J Med Chem 49: 4384-91 (2006)


Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50021452
PNG
(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H21N5O4S/c1-3-9-21-15-13(16(23)22(10-4-2)17(21)24)19-14(20-15)11-5-7-12(8-6-11)27(18,25)26/h5-8H,3-4,9-10H2,1-2H3,(H,19,20)(H2,18,25,26)
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75n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]-CGS-21,680


J Med Chem 36: 2639-44 (1993)


Article DOI: 10.1021/jm00070a007
BindingDB Entry DOI: 10.7270/Q2S75FDT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50190709
PNG
(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
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93.7n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX-2 from rat brain striatum adenosine A2A receptor


J Med Chem 52: 3994-4006 (2009)


Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50190709
PNG
(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
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93.7n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membranes


J Med Chem 49: 4384-91 (2006)


Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50190709
PNG
(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
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93.7n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity to rat adenosine A2A receptor


J Med Chem 52: 3994-4006 (2009)


Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50190705
PNG
(4-(1-propylxanthin-8-yl)phenylsulfonamidoacetic ac...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCC(O)=O
Show InChI InChI=1S/C16H17N5O6S/c1-2-7-21-15(24)12-14(20-16(21)25)19-13(18-12)9-3-5-10(6-4-9)28(26,27)17-8-11(22)23/h3-6,17H,2,7-8H2,1H3,(H,18,19)(H,20,25)(H,22,23)
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100n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes


J Med Chem 49: 4384-91 (2006)


Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50190705
PNG
(4-(1-propylxanthin-8-yl)phenylsulfonamidoacetic ac...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCC(O)=O
Show InChI InChI=1S/C16H17N5O6S/c1-2-7-21-15(24)12-14(20-16(21)25)19-13(18-12)9-3-5-10(6-4-9)28(26,27)17-8-11(22)23/h3-6,17H,2,7-8H2,1H3,(H,18,19)(H,20,25)(H,22,23)
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101n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB298 from human recombinant adenosine A2B receptor expressed in CHO cells


J Med Chem 49: 4384-91 (2006)


Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50190701
PNG
(8-[4-(isopropylamidosulfonyl)phenyl]-1,3-dimethylx...)
Show SMILES CC(C)NS(=O)(=O)c1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C16H19N5O4S/c1-9(2)19-26(24,25)11-7-5-10(6-8-11)13-17-12-14(18-13)20(3)16(23)21(4)15(12)22/h5-9,19H,1-4H3,(H,17,18)
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102n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB298 from human recombinant adenosine A2B receptor expressed in CHO cells


J Med Chem 49: 4384-91 (2006)


Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50021452
PNG
(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H21N5O4S/c1-3-9-21-15-13(16(23)22(10-4-2)17(21)24)19-14(20-15)11-5-7-12(8-6-11)27(18,25)26/h5-8H,3-4,9-10H2,1-2H3,(H,19,20)(H2,18,25,26)
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115n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against A2 adenosine receptors of the central nervous system


J Med Chem 29: 1520-4 (1986)


Article DOI: 10.1021/jm00158a034
BindingDB Entry DOI: 10.7270/Q25Q4V25
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50004562
PNG
(CHEMBL308499 | N-(2-Dimethylamino-ethyl)-4-(2,6-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)N(C)CCN(C)C
Show InChI InChI=1S/C22H32N6O4S/c1-6-12-27-20-18(21(29)28(13-7-2)22(27)30)23-19(24-20)16-8-10-17(11-9-16)33(31,32)26(5)15-14-25(3)4/h8-11H,6-7,12-15H2,1-5H3,(H,23,24)
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140n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from guinea pig forebrain membranes, using N6-[3H]-cyclohexyladenosine as radioligand.


J Med Chem 35: 2342-5 (1992)


Article DOI: 10.1021/jm00090a027
BindingDB Entry DOI: 10.7270/Q2T43S20
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50004562
PNG
(CHEMBL308499 | N-(2-Dimethylamino-ethyl)-4-(2,6-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)N(C)CCN(C)C
Show InChI InChI=1S/C22H32N6O4S/c1-6-12-27-20-18(21(29)28(13-7-2)22(27)30)23-19(24-20)16-8-10-17(11-9-16)33(31,32)26(5)15-14-25(3)4/h8-11H,6-7,12-15H2,1-5H3,(H,23,24)
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140n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligand


J Med Chem 35: 3066-75 (1992)


Article DOI: 10.1021/jm00094a022
BindingDB Entry DOI: 10.7270/Q2DN45PF
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50268108
PNG
(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-eth...)
Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H26N6O4S/c1-2-30-23(31)20-22(27-24(30)32)26-21(25-20)18-8-10-19(11-9-18)35(33,34)29-14-12-28(13-15-29)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H,25,26)(H,27,32)
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152n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells


J Med Chem 52: 3994-4006 (2009)


Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50190702
PNG
(8-[4-(phenylethylamidosulfonyl)phenyl]-1-propylxan...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccc1
Show InChI InChI=1S/C22H23N5O4S/c1-2-14-27-21(28)18-20(26-22(27)29)25-19(24-18)16-8-10-17(11-9-16)32(30,31)23-13-12-15-6-4-3-5-7-15/h3-11,23H,2,12-14H2,1H3,(H,24,25)(H,26,29)
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183n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


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


J Med Chem 49: 4384-91 (2006)


Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50268132
PNG
(8-(4-(4-(4-Fluorobenzyl)piperazine-1-sulfonyl)phen...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C25H27FN6O4S/c1-2-11-32-24(33)21-23(29-25(32)34)28-22(27-21)18-5-9-20(10-6-18)37(35,36)31-14-12-30(13-15-31)16-17-3-7-19(26)8-4-17/h3-10H,2,11-16H2,1H3,(H,27,28)(H,29,34)
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194n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX-2 from rat brain striatum adenosine A2A receptor


J Med Chem 52: 3994-4006 (2009)


Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50268108
PNG
(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-eth...)
Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H26N6O4S/c1-2-30-23(31)20-22(27-24(30)32)26-21(25-20)18-8-10-19(11-9-18)35(33,34)29-14-12-28(13-15-29)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H,25,26)(H,27,32)
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250n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from rat brain cortex adenosine A1 receptor


J Med Chem 52: 3994-4006 (2009)


Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50190709
PNG
(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
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260n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity to rat adenosine A1 receptor


J Med Chem 52: 3994-4006 (2009)


Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50190709
PNG
(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
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260n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from rat brain cortex adenosine A1 receptor


J Med Chem 52: 3994-4006 (2009)


Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50190709
PNG
(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
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260n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes


J Med Chem 49: 4384-91 (2006)


Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50190701
PNG
(8-[4-(isopropylamidosulfonyl)phenyl]-1,3-dimethylx...)
Show SMILES CC(C)NS(=O)(=O)c1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C16H19N5O4S/c1-9(2)19-26(24,25)11-7-5-10(6-8-11)13-17-12-14(18-13)20(3)16(23)21(4)15(12)22/h5-9,19H,1-4H3,(H,17,18)
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283n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membranes


J Med Chem 49: 4384-91 (2006)


Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50190704
PNG
(8-[4-(2-Hydroxyethylamidosulfonyl)phenyl]-1-propyl...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCCO
Show InChI InChI=1S/C16H19N5O5S/c1-2-8-21-15(23)12-14(20-16(21)24)19-13(18-12)10-3-5-11(6-4-10)27(25,26)17-7-9-22/h3-6,17,22H,2,7-9H2,1H3,(H,18,19)(H,20,24)
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287n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membranes


J Med Chem 49: 4384-91 (2006)


Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50190702
PNG
(8-[4-(phenylethylamidosulfonyl)phenyl]-1-propylxan...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCCc1ccccc1
Show InChI InChI=1S/C22H23N5O4S/c1-2-14-27-21(28)18-20(26-22(27)29)25-19(24-18)16-8-10-17(11-9-16)32(30,31)23-13-12-15-6-4-3-5-7-15/h3-11,23H,2,12-14H2,1H3,(H,24,25)(H,26,29)
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297n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membranes


J Med Chem 49: 4384-91 (2006)


Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50190705
PNG
(4-(1-propylxanthin-8-yl)phenylsulfonamidoacetic ac...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)NCC(O)=O
Show InChI InChI=1S/C16H17N5O6S/c1-2-7-21-15(24)12-14(20-16(21)25)19-13(18-12)9-3-5-10(6-4-9)28(26,27)17-8-11(22)23/h3-6,17H,2,7-8H2,1H3,(H,18,19)(H,20,25)(H,22,23)
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320n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membranes


J Med Chem 49: 4384-91 (2006)


Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50268108
PNG
(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-eth...)
Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H26N6O4S/c1-2-30-23(31)20-22(27-24(30)32)26-21(25-20)18-8-10-19(11-9-18)35(33,34)29-14-12-28(13-15-29)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H,25,26)(H,27,32)
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335n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX-2 from rat brain striatum adenosine A2A receptor


J Med Chem 52: 3994-4006 (2009)


Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50190709
PNG
(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
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484n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from human recombinant adenosine A2A receptor expressed in CHO cells


J Med Chem 49: 4384-91 (2006)


Article DOI: 10.1021/jm060277v
BindingDB Entry DOI: 10.7270/Q2DV1JHP
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50190709
PNG
(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
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484n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


J Med Chem 52: 3994-4006 (2009)


Article DOI: 10.1021/jm900413e
BindingDB Entry DOI: 10.7270/Q24J0G1M
More data for this
Ligand-Target Pair
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