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Compile Data Set for Download or QSAR

Found 1480 hits of ic50 data for polymerid = 2129,49000132,49000137,49000138,49000139,49000144,5536,5768   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50149598
PNG
(CHEMBL3770679)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3ccccc3)ncnc12 |r|
Show InChI InChI=1S/C24H30N6O5/c1-2-25-23(33)20-18(31)19(32)24(35-20)30-13-28-17-21(26-12-27-22(17)30)29-15-9-6-10-16(15)34-11-14-7-4-3-5-8-14/h3-5,7-8,12-13,15-16,18-20,24,31-32H,2,6,9-11H2,1H3,(H,25,33)(H,26,27,29)/t15-,16-,18+,19-,20+,24-/m1/s1
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n/an/a 0.0295n/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Agonist activity at human Adenosine A1 receptor transfected in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP production after 30 m...

J Med Chem 59: 947-64 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01402
BindingDB Entry DOI: 10.7270/Q2FX7CBN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		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 0.0500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

J Med Chem 28: 1071-9 (1985)

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


(BOVINE)		BDBM82013
PNG
(8-(2-Amino-4-chloro-phenyl)-1,3-dipropyl-3,7-dihyd...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1N
Show InChI InChI=1S/C17H20ClN5O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h5-6,9H,3-4,7-8,19H2,1-2H3,(H,20,21)
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n/an/a 0.0500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

J Med Chem 28: 1071-9 (1985)

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


(Rattus norvegicus (rat))		BDBM50550819
PNG
(CHEMBL4796077)
Show SMILES Cc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
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n/an/a 0.0670n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from rat brain cortical membrane A1AR in absence of GTP by scintillation counting analysis

Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111879
BindingDB Entry DOI: 10.7270/Q24T6P0P
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50021010
PNG
(CHEMBL545362 | N-(4-Dimethylamino-butyl)-4-(2,6-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCCCN(C)C
Show InChI InChI=1S/C23H34N6O4S/c1-5-14-28-21-19(22(30)29(15-6-2)23(28)31)25-20(26-21)17-9-11-18(12-10-17)34(32,33)24-13-7-8-16-27(3)4/h9-12,24H,5-8,13-16H2,1-4H3,(H,25,26)
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n/an/a 0.0700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

J Med Chem 28: 1071-9 (1985)

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


(Rattus norvegicus (rat))		BDBM50550824
PNG
(CHEMBL4797181)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(c(s1)C(=O)c1ccc(C)cc1)-c1ccccc1
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n/an/a 0.0756n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from rat brain cortical membrane A1AR in absence of GTP by scintillation counting analysis

Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111879
BindingDB Entry DOI: 10.7270/Q24T6P0P
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50550824
PNG
(CHEMBL4797181)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(c(s1)C(=O)c1ccc(C)cc1)-c1ccccc1
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n/an/a 0.0763n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from rat brain cortical membrane A1AR in presence of 100 uM of GTP by scintillation counting analysis

Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111879
BindingDB Entry DOI: 10.7270/Q24T6P0P
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50021008
PNG
(CHEMBL11036 | N-(3-Dimethylamino-propyl)-4-(2,6-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCCN(C)C
Show InChI InChI=1S/C22H32N6O4S/c1-5-13-27-20-18(21(29)28(14-6-2)22(27)30)24-19(25-20)16-8-10-17(11-9-16)33(31,32)23-12-7-15-26(3)4/h8-11,23H,5-7,12-15H2,1-4H3,(H,24,25)
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n/an/a 0.0800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

J Med Chem 28: 1071-9 (1985)

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


(Rattus norvegicus (rat))		BDBM50550819
PNG
(CHEMBL4796077)
Show SMILES Cc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
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n/an/a 0.0840n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from rat brain cortical membrane A1AR in presence of 100 uM of GTP by scintillation counting analysis

Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111879
BindingDB Entry DOI: 10.7270/Q24T6P0P
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50550832
PNG
(CHEMBL4764086)
Show SMILES Clc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
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n/an/a 0.0929n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from rat brain cortical membrane A1AR in absence of GTP by scintillation counting analysis

Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111879
BindingDB Entry DOI: 10.7270/Q24T6P0P
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50550832
PNG
(CHEMBL4764086)
Show SMILES Clc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
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n/an/a 0.0981n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from rat brain cortical membrane A1AR in presence of 100 uM of GTP by scintillation counting analysis

Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111879
BindingDB Entry DOI: 10.7270/Q24T6P0P
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM474233
PNG
(5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoropyrid in...)
Show SMILES CC(C)n1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1
Show InChI InChI=1S/C25H21F2N7O/c1-14(2)33-13-16(7-10-21(33)35)22-23(15-5-8-17(26)9-6-15)31-25(28)34-24(22)30-20(32-34)12-19-18(27)4-3-11-29-19/h3-11,13-14H,12H2,1-2H3,(H2,28,31)
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n/an/a 0.100n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2W099V1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM474233
PNG
(5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoropyrid in...)
Show SMILES CC(C)n1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1
Show InChI InChI=1S/C25H21F2N7O/c1-14(2)33-13-16(7-10-21(33)35)22-23(15-5-8-17(26)9-6-15)31-25(28)34-24(22)30-20(32-34)12-19-18(27)4-3-11-29-19/h3-11,13-14H,12H2,1-2H3,(H2,28,31)
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n/an/a 0.100n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...

US Patent US10858365 (2020)


BindingDB Entry DOI: 10.7270/Q2Q81H5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50375517
PNG
(CHEMBL411245)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4C[C@@H]3C3SC43)ncnc12 |w:23.25,25.26,THB:17:18:23.25:21,TEB:24:23:21:19.18,24:25:21:19.18|
Show InChI InChI=1S/C19H24N6O4S/c1-2-20-18(28)13-11(26)12(27)19(29-13)25-6-23-10-16(21-5-22-17(10)25)24-9-4-7-3-8(9)15-14(7)30-15/h5-9,11-15,19,26-27H,2-4H2,1H3,(H,20,28)(H,21,22,24)/t7-,8-,9-,11-,12+,13-,14?,15?,19+/m0/s1
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n/an/a 0.120n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A1 receptor assessed as inhibition of isoproterenol-stimulated cAMP accumulation in DDT1MF-2 cells

Bioorg Med Chem 16: 1861-73 (2008)


Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50517299
PNG
(CHEMBL4533718)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(C3CCC3)C3CCC3)ncnc12 |r|
Show InChI InChI=1S/C19H27N5O4/c25-7-12-15(26)16(27)19(28-12)24-9-22-14-17(20-8-21-18(14)24)23-13(10-3-1-4-10)11-5-2-6-11/h8-13,15-16,19,25-27H,1-7H2,(H,20,21,23)/t12-,15-,16-,19-/m1/s1
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n/an/a 0.140n/an/an/an/an/an/a



Medical College of Wisconsin

Curated by ChEMBL


Assay Description
Agonist activity at human A1A adenosine receptor expressed in HEK cells assessed as inhibition of forskolin-stimulated cAMP production after 60 mins

J Med Chem 62: 1502-1522 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01662
BindingDB Entry DOI: 10.7270/Q2TM7FGK
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50021004
PNG
(8-(2,4-Diamino-phenyl)-1,3-dipropyl-3,7-dihydro-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(N)cc1N
Show InChI InChI=1S/C17H22N6O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h5-6,9H,3-4,7-8,18-19H2,1-2H3,(H,20,21)
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n/an/a 0.150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

J Med Chem 28: 1071-9 (1985)

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


(Homo sapiens (Human))		BDBM474222
PNG
(5-(5-amino-2-(2,6-difluorobenzyl)-7-(4- fluorophen...)
Show SMILES Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ccc(F)cc1
Show InChI InChI=1S/C24H17F3N6O/c1-32-12-14(7-10-20(32)34)21-22(13-5-8-15(25)9-6-13)30-24(28)33-23(21)29-19(31-33)11-16-17(26)3-2-4-18(16)27/h2-10,12H,11H2,1H3,(H2,28,30)
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n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2W099V1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM474222
PNG
(5-(5-amino-2-(2,6-difluorobenzyl)-7-(4- fluorophen...)
Show SMILES Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ccc(F)cc1
Show InChI InChI=1S/C24H17F3N6O/c1-32-12-14(7-10-20(32)34)21-22(13-5-8-15(25)9-6-13)30-24(28)33-23(21)29-19(31-33)11-16-17(26)3-2-4-18(16)27/h2-10,12H,11H2,1H3,(H2,28,30)
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n/an/a 0.200n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...

US Patent US10858365 (2020)


BindingDB Entry DOI: 10.7270/Q2Q81H5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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n/an/a 0.209n/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Agonist activity at human Adenosine A1 receptor transfected in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP production after 30 m...

J Med Chem 59: 947-64 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01402
BindingDB Entry DOI: 10.7270/Q2FX7CBN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50020979
PNG
(4-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(=O)(=O)NCCCC(=O)OCC
Show InChI InChI=1S/C23H31N5O6S/c1-4-14-27-21-19(22(30)28(15-5-2)23(27)31)25-20(26-21)16-9-11-17(12-10-16)35(32,33)24-13-7-8-18(29)34-6-3/h9-12,24H,4-8,13-15H2,1-3H3,(H,25,26)
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n/an/a 0.240n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

J Med Chem 28: 1071-9 (1985)

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


(Homo sapiens (Human))		BDBM50375516
PNG
(CHEMBL258759)
Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4C[C@@H]3C3SC43)ncnc12 |w:20.22,22.23,THB:14:15:20.22:18,TEB:21:20:18:16.15,21:22:18:16.15|
Show InChI InChI=1S/C17H20ClN5O3S/c18-3-9-11(24)12(25)17(26-9)23-5-21-10-15(19-4-20-16(10)23)22-8-2-6-1-7(8)14-13(6)27-14/h4-9,11-14,17,24-25H,1-3H2,(H,19,20,22)/t6-,7-,8-,9+,11+,12+,13?,14?,17+/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A1 receptor assessed as inhibition of isoproterenol-stimulated cAMP accumulation in DDT1MF-2 cells

Bioorg Med Chem 16: 1861-73 (2008)


Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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n/an/a 0.320n/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor

J Med Chem 35: 629-35 (1992)

Checked by Author
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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n/an/a 0.350n/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A1 receptor of rat brain membranes without NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding

J Med Chem 31: 745-51 (1988)


BindingDB Entry DOI: 10.7270/Q2D21Z57
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50020974
PNG
(8-(2-Amino-4-chloro-phenyl)-1,3-dimethyl-3,7-dihyd...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(Cl)cc1N
Show InChI InChI=1S/C13H12ClN5O2/c1-18-11-9(12(20)19(2)13(18)21)16-10(17-11)7-4-3-6(14)5-8(7)15/h3-5H,15H2,1-2H3,(H,16,17)
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n/an/a 0.350n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

J Med Chem 28: 1071-9 (1985)

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


(Homo sapiens (Human))		BDBM50385957
PNG
(CHEMBL2042297)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(F)nc12 |r|
Show InChI InChI=1S/C12H15FN6O4/c1-2-15-10(22)7-5(20)6(21)11(23-7)19-3-16-4-8(14)17-12(13)18-9(4)19/h3,5-7,11,20-21H,2H2,1H3,(H,15,22)(H2,14,17,18)/t5-,6+,7-,11+/m0/s1
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n/an/a 0.360n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation

J Med Chem 55: 3521-34 (2012)


Article DOI: 10.1021/jm300206u
BindingDB Entry DOI: 10.7270/Q2FT8N35
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50149597
PNG
(CHEMBL3771184)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3C4CC5CC(C4)CC3C5)ncnc12 |r,wU:7.12,5.4,wD:8.8,10.11,TLB:24:23:19.20.18:27,17:18:22.23.25:27,THB:18:19:22:25.26.27,18:26:22:19.20.24,24:19:22.23.25:27,(15.69,-2.49,;14.45,-2.59,;13.56,-1.31,;12.01,-1.44,;11.48,-2.57,;11.12,-.17,;9.56,-.13,;9.14,1.36,;10.39,2.25,;10.41,3.49,;11.63,1.31,;12.82,1.66,;7.63,1.76,;7.09,3.19,;5.53,3.12,;5.13,1.62,;3.73,.92,;2.42,1.78,;1.02,1.07,;1.12,-.36,;-.4,-.89,;-1.87,-.71,;-2.28,-2.13,;-1.05,-1.34,;.37,-1.61,;-1.05,.45,;-.29,1.71,;-2.05,.73,;3.65,-.65,;4.96,-1.49,;6.37,-.78,;6.43,.78,)|
Show InChI InChI=1S/C22H30N6O4/c1-2-23-21(31)18-16(29)17(30)22(32-18)28-9-26-15-19(24-8-25-20(15)28)27-14-12-4-10-3-11(6-12)7-13(14)5-10/h8-14,16-18,22,29-30H,2-7H2,1H3,(H,23,31)(H,24,25,27)/t10?,11?,12?,13?,14?,16-,17+,18-,22+/m0/s1
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n/an/a 0.398n/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Agonist activity at human Adenosine A1 receptor transfected in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP production after 30 m...

J Med Chem 59: 947-64 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01402
BindingDB Entry DOI: 10.7270/Q2FX7CBN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50020974
PNG
(8-(2-Amino-4-chloro-phenyl)-1,3-dimethyl-3,7-dihyd...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(Cl)cc1N
Show InChI InChI=1S/C13H12ClN5O2/c1-18-11-9(12(20)19(2)13(18)21)16-10(17-11)7-4-3-6(14)5-8(7)15/h3-5H,15H2,1-2H3,(H,16,17)
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n/an/a 0.400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

J Med Chem 30: 91-6 (1987)


BindingDB Entry DOI: 10.7270/Q2Q23Z84
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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n/an/a 0.5n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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

Bioorg Med Chem 24: 1793-810 (2016)


Article DOI: 10.1016/j.bmc.2016.03.006
BindingDB Entry DOI: 10.7270/Q2J67JS7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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n/an/a 0.5n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine receptor A1 expressed in CHO cells measured after 60 mins by scintillation counting method

Bioorg Med Chem 25: 471-482 (2017)


Article DOI: 10.1016/j.bmc.2016.11.014
BindingDB Entry DOI: 10.7270/Q2CF9S3S
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50085658
PNG
((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1
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n/an/a 0.501n/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Agonist activity at human Adenosine A1 receptor transfected in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP production after 30 m...

J Med Chem 59: 947-64 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01402
BindingDB Entry DOI: 10.7270/Q2FX7CBN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50452317
PNG
(CHEMBL2094085)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H](CC)Cc3ccccc3)ncnc12 |r|
Show InChI InChI=1S/C22H28N6O4/c1-3-14(10-13-8-6-5-7-9-13)27-19-15-20(25-11-24-19)28(12-26-15)22-17(30)16(29)18(32-22)21(31)23-4-2/h5-9,11-12,14,16-18,22,29-30H,3-4,10H2,1-2H3,(H,23,31)(H,24,25,27)/t14-,16+,17-,18+,22-/m1/s1
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n/an/a 0.520n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency against rat brain adenosine A1 receptor

J Med Chem 29: 1683-9 (1986)


BindingDB Entry DOI: 10.7270/Q2Z89D0F
More data for this
Ligand-Target Pair
Adenosine receptor A1


(GUINEA PIG)		BDBM50287703
PNG
((E)-1-[(S)-2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(...)
Show SMILES OCC[C@@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m0/s1
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n/an/a 0.560n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of adenosine induced negative inotropic activity against guinea-pig atria (Adenosine A1 receptor)

Bioorg Med Chem Lett 6: 2059-2062 (1996)


Article DOI: 10.1016/0960-894X(96)00368-X
BindingDB Entry DOI: 10.7270/Q25Q4W31
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50327343
PNG
(2-(4-(8-fluoroquinoxalin-6-yl)-3-methyl-1-o-tolyl-...)
Show SMILES Cc1nn(c(Nc2ccccc2C(O)=O)c1-c1cc(F)c2nccnc2c1)-c1ccccc1C
Show InChI InChI=1S/C26H20FN5O2/c1-15-7-3-6-10-22(15)32-25(30-20-9-5-4-8-18(20)26(33)34)23(16(2)31-32)17-13-19(27)24-21(14-17)28-11-12-29-24/h3-14,30H,1-2H3,(H,33,34)
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n/an/a 0.600n/an/an/an/an/an/a



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A1 receptor by cAMP assay

Bioorg Med Chem Lett 20: 5891-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.095
BindingDB Entry DOI: 10.7270/Q2FQ9WV8
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM392076
PNG
(US10301272, Example 7/9)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2ccccc12 |r,wU:27.28,wD:29.33,(8.76,1.15,;7.67,.06,;6.19,.46,;7.28,1.55,;8.07,-1.42,;6.98,-2.51,;6.59,-4,;8.07,-3.6,;5.5,-2.11,;5.1,-.63,;3.61,-.23,;2.52,-1.32,;1.03,-.92,;.56,.55,;-.98,.55,;-1.46,-.92,;-.21,-1.82,;-.21,-3.36,;-1.55,-4.13,;-2.88,-3.36,;-4.21,-4.13,;-4.21,-5.67,;-2.88,-6.44,;-1.55,-5.67,;-2.07,1.64,;-1.67,3.12,;-3.56,1.24,;-4.65,2.33,;-6.19,2.33,;-6.19,3.87,;-4.65,3.87,;-7.28,4.96,;-6.88,6.44,;-8.76,4.56,;2.92,-2.8,;1.83,-3.89,;2.23,-5.38,;3.72,-5.78,;4.81,-4.69,;4.41,-3.2,)|
Show InChI InChI=1S/C30H37N3O5S2/c1-30(2,3)33-40(37,38)25-14-13-23(21-11-7-8-12-22(21)25)26-24(15-18-9-5-4-6-10-18)32-28(39-26)27(34)31-20-16-19(17-20)29(35)36/h7-8,11-14,18-20,33H,4-6,9-10,15-17H2,1-3H3,(H,31,34)(H,35,36)/t19-,20-
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n/an/a 0.610n/an/an/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human recombinant adenosine A1 receptor after 60 mins by scintillation counting analysis

Bioorg Med Chem Lett 28: 1446-1455 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.093
BindingDB Entry DOI: 10.7270/Q27W6FPC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50452315
PNG
(CHEMBL2094086)
Show SMILES CC[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O |r|
Show InChI InChI=1S/C20H23N5O5/c1-2-12(8-11-6-4-3-5-7-11)24-17-13-18(22-9-21-17)25(10-23-13)19-15(27)14(26)16(30-19)20(28)29/h3-7,9-10,12,14-16,19,26-27H,2,8H2,1H3,(H,28,29)(H,21,22,24)/t12-,14+,15-,16+,19-/m1/s1
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n/an/a 0.620n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency against rat brain adenosine A1 receptor

J Med Chem 29: 1683-9 (1986)


BindingDB Entry DOI: 10.7270/Q2Z89D0F
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50149594
PNG
(CHEMBL3771208)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3ccccc3)ncnc12 |r|
Show InChI InChI=1S/C22H27N5O5/c28-9-16-18(29)19(30)22(32-16)27-12-25-17-20(23-11-24-21(17)27)26-14-7-4-8-15(14)31-10-13-5-2-1-3-6-13/h1-3,5-6,11-12,14-16,18-19,22,28-30H,4,7-10H2,(H,23,24,26)/t14-,15-,16-,18-,19-,22-/m1/s1
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n/an/a 0.676n/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Agonist activity at human Adenosine A1 receptor transfected in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP production after 30 m...

J Med Chem 59: 947-64 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01402
BindingDB Entry DOI: 10.7270/Q2FX7CBN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM82025
PNG
(1,3-Dipropyl-8-phenylxanthine | 8-Phenyl-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1
Show InChI InChI=1S/C17H20N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,19)
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n/an/a 0.700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

J Med Chem 28: 1071-9 (1985)

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


(BOVINE)		BDBM50020976
PNG
(8-(2-Amino-phenyl)-1,3-dipropyl-3,7-dihydro-purine...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1N
Show InChI InChI=1S/C17H21N5O2/c1-3-9-21-15-13(16(23)22(10-4-2)17(21)24)19-14(20-15)11-7-5-6-8-12(11)18/h5-8H,3-4,9-10,18H2,1-2H3,(H,19,20)
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n/an/a 0.75n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

J Med Chem 28: 1071-9 (1985)

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


(BOVINE)		BDBM50020981
PNG
(8-(4-Bromo-phenyl)-1,3-dimethyl-3,7-dihydro-purine...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C13H11BrN4O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-3-5-8(14)6-4-7/h3-6H,1-2H3,(H,15,16)
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TBA

Curated by ChEMBL


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

J Med Chem 28: 1071-9 (1985)

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


(BOVINE)		BDBM50020961
PNG
(8-(4-Ethyl-phenyl)-1,3-dimethyl-3,7-dihydro-purine...)
Show SMILES CCc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C15H16N4O2/c1-4-9-5-7-10(8-6-9)12-16-11-13(17-12)18(2)15(21)19(3)14(11)20/h5-8H,4H2,1-3H3,(H,16,17)
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TBA

Curated by ChEMBL


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

J Med Chem 28: 1071-9 (1985)

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


(Homo sapiens (Human))		BDBM474230
PNG
(5-(5-amino-7-(4-fluorophenyl)-2-((3-fluoropyrid in...)
Show SMILES CCn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1
Show InChI InChI=1S/C24H19F2N7O/c1-2-32-13-15(7-10-20(32)34)21-22(14-5-8-16(25)9-6-14)30-24(27)33-23(21)29-19(31-33)12-18-17(26)4-3-11-28-18/h3-11,13H,2,12H2,1H3,(H2,27,30)
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US Patent
n/an/a 0.800n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...

US Patent US10858365 (2020)


BindingDB Entry DOI: 10.7270/Q2Q81H5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM474237
PNG
(5-(5-amino-7-(3-chlorophenyl)-2-((3-fluoropyrid in...)
Show SMILES Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C23H17ClFN7O/c1-31-12-14(7-8-19(31)33)20-21(13-4-2-5-15(24)10-13)29-23(26)32-22(20)28-18(30-32)11-17-16(25)6-3-9-27-17/h2-10,12H,11H2,1H3,(H2,26,29)
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2W099V1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM474237
PNG
(5-(5-amino-7-(3-chlorophenyl)-2-((3-fluoropyrid in...)
Show SMILES Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C23H17ClFN7O/c1-31-12-14(7-8-19(31)33)20-21(13-4-2-5-15(24)10-13)29-23(26)32-22(20)28-18(30-32)11-17-16(25)6-3-9-27-17/h2-10,12H,11H2,1H3,(H2,26,29)
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n/an/a 0.800n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for ...

US Patent US10858365 (2020)


BindingDB Entry DOI: 10.7270/Q2Q81H5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50020963
PNG
(1,3-Diallyl-8-(2-amino-4-chloro-phenyl)-3,7-dihydr...)
Show SMILES Nc1cc(Cl)ccc1-c1nc2n(CC=C)c(=O)n(CC=C)c(=O)c2[nH]1
Show InChI InChI=1S/C17H16ClN5O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h3-6,9H,1-2,7-8,19H2,(H,20,21)
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TBA

Curated by ChEMBL


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

J Med Chem 28: 1071-9 (1985)

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


(BOVINE)		BDBM50020966
PNG
(8-(2-Amino-4-chloro-phenyl)-1,3-diethyl-3,7-dihydr...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(Cl)cc1N
Show InChI InChI=1S/C15H16ClN5O2/c1-3-20-13-11(14(22)21(4-2)15(20)23)18-12(19-13)9-6-5-8(16)7-10(9)17/h5-7H,3-4,17H2,1-2H3,(H,18,19)
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TBA

Curated by ChEMBL


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

J Med Chem 28: 1071-9 (1985)

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


(Rattus norvegicus (rat))		BDBM50020988
PNG
(8-(4-Chloro-phenyl)-1,3-dimethyl-3,7-dihydro-purin...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H11ClN4O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-3-5-8(14)6-4-7/h3-6H,1-2H3,(H,15,16)
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n/an/a 0.800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

J Med Chem 30: 91-6 (1987)


BindingDB Entry DOI: 10.7270/Q2Q23Z84
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50020988
PNG
(8-(4-Chloro-phenyl)-1,3-dimethyl-3,7-dihydro-purin...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H11ClN4O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-3-5-8(14)6-4-7/h3-6H,1-2H3,(H,15,16)
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n/an/a 0.800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

J Med Chem 28: 1071-9 (1985)

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


(Homo sapiens (Human))		BDBM474230
PNG
(5-(5-amino-7-(4-fluorophenyl)-2-((3-fluoropyrid in...)
Show SMILES CCn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1
Show InChI InChI=1S/C24H19F2N7O/c1-2-32-13-15(7-10-20(32)34)21-22(14-5-8-16(25)9-6-14)30-24(27)33-23(21)29-19(31-33)12-18-17(26)4-3-11-28-18/h3-11,13H,2,12H2,1H3,(H2,27,30)
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2W099V1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50020969
PNG
(1,3-Dimethyl-8-p-tolyl-3,7-dihydro-purine-2,6-dion...)
Show SMILES Cc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C14H14N4O2/c1-8-4-6-9(7-5-8)11-15-10-12(16-11)17(2)14(20)18(3)13(10)19/h4-7H,1-3H3,(H,15,16)
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TBA

Curated by ChEMBL


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

J Med Chem 28: 1071-9 (1985)

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


(Rattus norvegicus (rat))		BDBM50020969
PNG
(1,3-Dimethyl-8-p-tolyl-3,7-dihydro-purine-2,6-dion...)
Show SMILES Cc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C14H14N4O2/c1-8-4-6-9(7-5-8)11-15-10-12(16-11)17(2)14(20)18(3)13(10)19/h4-7H,1-3H3,(H,15,16)
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n/an/a 0.800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

J Med Chem 30: 91-6 (1987)


BindingDB Entry DOI: 10.7270/Q2Q23Z84
More data for this
Ligand-Target Pair
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