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33 similar compounds to monomer 50190704

Compile data set for download or QSAR
Wt: 476.5
BDBM50004562
Wt: 433.4
BDBM50020994
Wt: 476.5
BDBM50021008
Wt: 490.6
BDBM50021010
Wt: 446.5
BDBM50020973
Wt: 421.4
BDBM50020977
Wt: 505.5
BDBM50020979
Wt: 462.5
BDBM50020986
Wt: 434.5
BDBM50020987
Wt: 391.4
BDBM50021452
Wt: 350.3
BDBM50042209
Purchase
Wt: 349.3
BDBM50110981
Purchase
Wt: 379.3
BDBM50190700
Wt: 377.4
BDBM50190701
Wt: 453.5
BDBM50190702
Displayed 1 to 15 (of 33 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 62 hits for monomerid = 50004562,50020994,50021008,50021010,50020973,50020977,50020979,50020986,50020987,50021452,50042209,50110981,50190700,50190701,50190702   
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))
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))
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))
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))
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
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 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 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 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 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 receptor A2b


(Homo sapiens (Human))
BDBM50042209
PNG
(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)
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53n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human recombinant Adenosine A2B receptor


J Med Chem 59: 1967-83 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50042209
PNG
(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)
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53n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human recombinant adenosine A2B receptor


J Med Chem 60: 3372-3382 (2017)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50042209
PNG
(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)
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53.4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 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))
BDBM50110981
PNG
(CHEMBL34862 | CHEMBL452924 | Potassium; 4-(2,6-dio...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S([O-])(=O)=O
Show InChI InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)/p-1
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53.4n/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))
BDBM50042209
PNG
(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)
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53.4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A2B receptor using [3H]-ZM-241,385 in CHO cell membranes


J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50110981
PNG
(CHEMBL34862 | CHEMBL452924 | Potassium; 4-(2,6-dio...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S([O-])(=O)=O
Show InChI InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)/p-1
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53.4n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 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))
BDBM50110981
PNG
(CHEMBL34862 | CHEMBL452924 | Potassium; 4-(2,6-dio...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S([O-])(=O)=O
Show InChI InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)/p-1
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53.4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor


J Med Chem 45: 1500-10 (2002)


Article DOI: 10.1021/jm011049y
BindingDB Entry DOI: 10.7270/Q2X929MN
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 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 receptor A1


(Rattus norvegicus (rat))
BDBM50190700
PNG
(8-[4-(2-hydroxyethylamidosulfonyl)phenyl]-1,3-dime...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCO
Show InChI InChI=1S/C15H17N5O5S/c1-19-13-11(14(22)20(2)15(19)23)17-12(18-13)9-3-5-10(6-4-9)26(24,25)16-7-8-21/h3-6,16,21H,7-8H2,1-2H3,(H,17,18)
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98n/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))
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 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 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 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 receptor A2b


(Homo sapiens (Human))
BDBM50110981
PNG
(CHEMBL34862 | CHEMBL452924 | Potassium; 4-(2,6-dio...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S([O-])(=O)=O
Show InChI InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)/p-1
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237n/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))
BDBM50190700
PNG
(8-[4-(2-hydroxyethylamidosulfonyl)phenyl]-1,3-dime...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCO
Show InChI InChI=1S/C15H17N5O5S/c1-19-13-11(14(22)20(2)15(19)23)17-12(18-13)9-3-5-10(6-4-9)26(24,25)16-7-8-21/h3-6,16,21H,7-8H2,1-2H3,(H,17,18)
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250n/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 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))
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))
BDBM50190700
PNG
(8-[4-(2-hydroxyethylamidosulfonyl)phenyl]-1,3-dime...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)NCCO
Show InChI InChI=1S/C15H17N5O5S/c1-19-13-11(14(22)20(2)15(19)23)17-12(18-13)9-3-5-10(6-4-9)26(24,25)16-7-8-21/h3-6,16,21H,7-8H2,1-2H3,(H,17,18)
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347n/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 A2a


(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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769n/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 A1


(Rattus norvegicus (rat))
BDBM50110981
PNG
(CHEMBL34862 | CHEMBL452924 | Potassium; 4-(2,6-dio...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S([O-])(=O)=O
Show InChI InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)/p-1
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2.20E+3n/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))
BDBM50110981
PNG
(CHEMBL34862 | CHEMBL452924 | Potassium; 4-(2,6-dio...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S([O-])(=O)=O
Show InChI InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)/p-1
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2.20E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CCPA binding to rat adenosine A1 receptor


J Med Chem 45: 1500-10 (2002)


Article DOI: 10.1021/jm011049y
BindingDB Entry DOI: 10.7270/Q2X929MN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50042209
PNG
(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)
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2.20E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA 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))
BDBM50042209
PNG
(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)
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2.20E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor using [3H]-PIA in rat brain cortical membrane


J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50042209
PNG
(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)
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2.20E+3n/an/an/an/an/an/an/an/a



Pharmazeutische Chemie

Curated by ChEMBL


Assay Description
Binding affinity at Adenosine A1 receptor in rat brain cortical membrane using [3H]-N6-R-phenylisopropyladenosine (R-PIA) as radioligand


J Med Chem 36: 3341-9 (1993)


Article DOI: 10.1021/jm00074a015
BindingDB Entry DOI: 10.7270/Q26Q1W9W
More data for this
Ligand-Target Pair
Adenosine receptor A3


(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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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB11 from human recombinant adenosine A3 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 A3


(Homo sapiens (Human))
BDBM50042209
PNG
(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB11 from human recombinant adenosine A3 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


(Homo sapiens (Human))
BDBM50042209
PNG
(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)
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>1.00E+4n/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 receptor A1


(Homo sapiens (Human))
BDBM50110981
PNG
(CHEMBL34862 | CHEMBL452924 | Potassium; 4-(2,6-dio...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S([O-])(=O)=O
Show InChI InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)/p-1
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity to human 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 A3


(Homo sapiens (Human))
BDBM50110981
PNG
(CHEMBL34862 | CHEMBL452924 | Potassium; 4-(2,6-dio...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S([O-])(=O)=O
Show InChI InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)/p-1
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A3 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))
BDBM50042209
PNG
(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)
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2.40E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA 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))
BDBM50042209
PNG
(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)
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2.40E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2A receptor using [3H]-NECA in rat brain striatal membranes


J Med Chem 47: 1031-43 (2004)


Article DOI: 10.1021/jm0310030
BindingDB Entry DOI: 10.7270/Q2J38S05
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50110981
PNG
(CHEMBL34862 | CHEMBL452924 | Potassium; 4-(2,6-dio...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S([O-])(=O)=O
Show InChI InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)/p-1
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2.40E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of [3H]-MSX-2 binding to rat adenosine A2A receptor


J Med Chem 45: 1500-10 (2002)


Article DOI: 10.1021/jm011049y
BindingDB Entry DOI: 10.7270/Q2X929MN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50042209
PNG
(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)
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2.40E+4n/an/an/an/an/an/an/an/a



Pharmazeutische Chemie

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2 receptor in rat striatal membranes using [3H]5'-(N-ethylcarboxamido)-adenosine (NECA) as the ligand


J Med Chem 36: 3341-9 (1993)


Article DOI: 10.1021/jm00074a015
BindingDB Entry DOI: 10.7270/Q26Q1W9W
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50110981
PNG
(CHEMBL34862 | CHEMBL452924 | Potassium; 4-(2,6-dio...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S([O-])(=O)=O
Show InChI InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)/p-1
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2.40E+4n/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))
BDBM50020986
PNG
(CHEMBL11002 | N-(2-Dimethylamino-ethyl)-4-(2,6-dio...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCN(C)C
Show InChI InChI=1S/C21H30N6O4S/c1-5-12-26-19-17(20(28)27(13-6-2)21(26)29)23-18(24-19)15-7-9-16(10-8-15)32(30,31)22-11-14-25(3)4/h7-10,22H,5-6,11-14H2,1-4H3,(H,23,24)
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n/an/a 6.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against rat brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine as radioligand


J Med Chem 28: 1071-9 (1985)

Checked by Author
Article DOI: 10.1021/jm00146a016
BindingDB Entry DOI: 10.7270/Q2445N2W
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50020977
PNG
(4-(1,3-Diethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pur...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)NCC(C)O
Show InChI InChI=1/C18H23N5O5S/c1-4-22-16-14(17(25)23(5-2)18(22)26)20-15(21-16)12-6-8-13(9-7-12)29(27,28)19-10-11(3)24/h6-9,11,19,24H,4-5,10H2,1-3H3,(H,20,21)
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n/an/a 138n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against rat brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine as radioligand


J Med Chem 28: 1071-9 (1985)

Checked by Author
Article DOI: 10.1021/jm00146a016
BindingDB Entry DOI: 10.7270/Q2445N2W
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50020994
PNG
(1,3-Diethyl-8-[4-(morpholine-4-sulfonyl)-phenyl]-3...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H23N5O5S/c1-3-23-17-15(18(25)24(4-2)19(23)26)20-16(21-17)13-5-7-14(8-6-13)30(27,28)22-9-11-29-12-10-22/h5-8H,3-4,9-12H2,1-2H3,(H,20,21)
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n/an/a 310n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against rat brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine as radioligand


J Med Chem 28: 1071-9 (1985)

Checked by Author
Article DOI: 10.1021/jm00146a016
BindingDB Entry DOI: 10.7270/Q2445N2W
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50020987
PNG
(4-(1,3-Diethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pur...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCN(C)C
Show InChI InChI=1S/C19H26N6O4S/c1-5-24-17-15(18(26)25(6-2)19(24)27)21-16(22-17)13-7-9-14(10-8-13)30(28,29)20-11-12-23(3)4/h7-10,20H,5-6,11-12H2,1-4H3,(H,21,22)
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n/an/a 116n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against rat brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine as radioligand


J Med Chem 28: 1071-9 (1985)

Checked by Author
Article DOI: 10.1021/jm00146a016
BindingDB Entry DOI: 10.7270/Q2445N2W
More data for this
Ligand-Target Pair
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