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Compile Data Set for Download or QSAR

Found 343 hits with Last Name = 'thompson' and Initial = 'rd'   
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


(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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0.450n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]- (R)-P1A binding to adenosine A1 receptor


J Med Chem 34: 3388-90 (1992)


Article DOI: 10.1021/jm00116a007
BindingDB Entry DOI: 10.7270/Q22V2GQT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
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
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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0.600n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]- (R)-P1A binding to adenosine A1 receptor


J Med Chem 34: 3388-90 (1992)


Article DOI: 10.1021/jm00116a007
BindingDB Entry DOI: 10.7270/Q22V2GQT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50118810
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13-,15-,16-,19-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]- (R)-P1A binding to adenosine A1 receptor


J Med Chem 34: 3388-90 (1992)


Article DOI: 10.1021/jm00116a007
BindingDB Entry DOI: 10.7270/Q22V2GQT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50368159
PNG
(CHEMBL315056 | CHEMBL610402)
Show SMILES C[C@H](Cc1ccccc1)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H22ClN5O4/c1-10(7-11-5-3-2-4-6-11)22-16-13-17(24-19(20)23-16)25(9-21-13)18-15(28)14(27)12(8-26)29-18/h2-6,9-10,12,14-15,18,26-28H,7-8H2,1H3,(H,22,23,24)/t10-,12-,14-,15-,18?/m1/s1
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1.40n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]- (R)-P1A binding to adenosine A1 receptor


J Med Chem 34: 3388-90 (1992)


Article DOI: 10.1021/jm00116a007
BindingDB Entry DOI: 10.7270/Q22V2GQT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50009525
PNG
(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
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6.70n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]- (R)-P1A binding to adenosine A1 receptor


J Med Chem 34: 3388-90 (1992)


Article DOI: 10.1021/jm00116a007
BindingDB Entry DOI: 10.7270/Q22V2GQT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50368160
PNG
(CHEMBL610407)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccccc3)nc(Cl)nc12
Show InChI InChI=1S/C16H16ClN5O4/c17-16-20-13(19-8-4-2-1-3-5-8)10-14(21-16)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H,19,20,21)/t9-,11-,12-,15?/m1/s1
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7.60n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]- (R)-P1A binding to adenosine A1 receptor


J Med Chem 34: 3388-90 (1992)


Article DOI: 10.1021/jm00116a007
BindingDB Entry DOI: 10.7270/Q22V2GQT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM42467
PNG
((2R,3R,4S,5R)-2-(6-anilino-9-purinyl)-5-(hydroxyme...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccccc3)ncnc12
Show InChI InChI=1S/C16H17N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,22-24H,6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1
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16n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]- (R)-P1A binding to adenosine A1 receptor


J Med Chem 34: 3388-90 (1992)


Article DOI: 10.1021/jm00116a007
BindingDB Entry DOI: 10.7270/Q22V2GQT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50449718
PNG
(CHEMBL312917)
Show SMILES C[C@@H](Cc1ccccc1)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H22ClN5O4/c1-10(7-11-5-3-2-4-6-11)22-16-13-17(24-19(20)23-16)25(9-21-13)18-15(28)14(27)12(8-26)29-18/h2-6,9-10,12,14-15,18,26-28H,7-8H2,1H3,(H,22,23,24)/t10-,12+,14+,15+,18+/m0/s1
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20n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]- (R)-P1A binding to adenosine A1 receptor


J Med Chem 34: 3388-90 (1992)


Article DOI: 10.1021/jm00116a007
BindingDB Entry DOI: 10.7270/Q22V2GQT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50080398
PNG
((2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-((S)-1-methyl-2...)
Show SMILES C[C@@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13+,15+,16+,19+/m0/s1
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50n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]- (R)-P1A binding to adenosine A1 receptor


J Med Chem 34: 3388-90 (1992)


Article DOI: 10.1021/jm00116a007
BindingDB Entry DOI: 10.7270/Q22V2GQT
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50009525
PNG
(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
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76n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]- NECA binding to adenosine receptor A2A


J Med Chem 34: 3388-90 (1992)


Article DOI: 10.1021/jm00116a007
BindingDB Entry DOI: 10.7270/Q22V2GQT
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50368159
PNG
(CHEMBL315056 | CHEMBL610402)
Show SMILES C[C@H](Cc1ccccc1)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H22ClN5O4/c1-10(7-11-5-3-2-4-6-11)22-16-13-17(24-19(20)23-16)25(9-21-13)18-15(28)14(27)12(8-26)29-18/h2-6,9-10,12,14-15,18,26-28H,7-8H2,1H3,(H,22,23,24)/t10-,12-,14-,15-,18?/m1/s1
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220n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]- NECA binding to adenosine receptor A2


J Med Chem 34: 3388-90 (1992)


Article DOI: 10.1021/jm00116a007
BindingDB Entry DOI: 10.7270/Q22V2GQT
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50118810
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...)
Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13-,15-,16-,19-/m1/s1
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220n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]- NECA binding to adenosine receptor A2


J Med Chem 34: 3388-90 (1992)


Article DOI: 10.1021/jm00116a007
BindingDB Entry DOI: 10.7270/Q22V2GQT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50009684
PNG
(CHEMBL301574 | Cyclopentyl-(9-ethyl-9H-purin-6-yl)...)
Show SMILES CCn1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C12H17N5/c1-2-17-8-15-10-11(13-7-14-12(10)17)16-9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,13,14,16)
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440n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by using [3H]- PIA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-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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510n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]- NECA binding to adenosine receptor A2


J Med Chem 34: 3388-90 (1992)


Article DOI: 10.1021/jm00116a007
BindingDB Entry DOI: 10.7270/Q22V2GQT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50009686
PNG
((2-Chloro-9-methyl-9H-purin-6-yl)-cyclopentyl-amin...)
Show SMILES Cn1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C11H14ClN5/c1-17-6-13-8-9(14-7-4-2-3-5-7)15-11(12)16-10(8)17/h6-7H,2-5H2,1H3,(H,14,15,16)
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530n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by using [3H]- PIA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50009698
PNG
(CHEMBL48278 | Cyclopentyl-(9-methyl-9H-purin-6-yl)...)
Show SMILES Cn1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C11H15N5/c1-16-7-14-9-10(12-6-13-11(9)16)15-8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,12,13,15)
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540n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by using [3H]- PIA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50009683
PNG
(CHEMBL95332 | Cyclohexyl-(9-methyl-9H-purin-6-yl)-...)
Show SMILES Cn1cnc2c(NC3CCCCC3)ncnc12
Show InChI InChI=1S/C12H17N5/c1-17-8-15-10-11(13-7-14-12(10)17)16-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,13,14,16)
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940n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by using [3H]- PIA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
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
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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950n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]- NECA binding to adenosine receptor A2


J Med Chem 34: 3388-90 (1992)


Article DOI: 10.1021/jm00116a007
BindingDB Entry DOI: 10.7270/Q22V2GQT
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM42467
PNG
((2R,3R,4S,5R)-2-(6-anilino-9-purinyl)-5-(hydroxyme...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccccc3)ncnc12
Show InChI InChI=1S/C16H17N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,22-24H,6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]- NECA binding to adenosine receptor A2


J Med Chem 34: 3388-90 (1992)


Article DOI: 10.1021/jm00116a007
BindingDB Entry DOI: 10.7270/Q22V2GQT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50009696
PNG
(CHEMBL95617 | Cyclopentyl-(9-cyclopentyl-9H-purin-...)
Show SMILES C1CCC(C1)Nc1ncnc2n(cnc12)C1CCCC1
Show InChI InChI=1S/C15H21N5/c1-2-6-11(5-1)19-14-13-15(17-9-16-14)20(10-18-13)12-7-3-4-8-12/h9-12H,1-8H2,(H,16,17,19)
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1.20E+3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by using [3H]- PIA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50368160
PNG
(CHEMBL610407)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccccc3)nc(Cl)nc12
Show InChI InChI=1S/C16H16ClN5O4/c17-16-20-13(19-8-4-2-1-3-5-8)10-14(21-16)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H,19,20,21)/t9-,11-,12-,15?/m1/s1
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1.70E+3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]- NECA binding to adenosine receptor A2


J Med Chem 34: 3388-90 (1992)


Article DOI: 10.1021/jm00116a007
BindingDB Entry DOI: 10.7270/Q22V2GQT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50009693
PNG
(CHEMBL95913 | Cyclopentyl-[9-(tetrahydro-furan-2-y...)
Show SMILES C1CCC(C1)Nc1ncnc2n(cnc12)C1CCCO1
Show InChI InChI=1S/C14H19N5O/c1-2-5-10(4-1)18-13-12-14(16-8-15-13)19(9-17-12)11-6-3-7-20-11/h8-11H,1-7H2,(H,15,16,18)
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1.70E+3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by using [3H]- PIA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50009680
PNG
(6-Amino-9-cyclopentyl-9H-purine | 9-Cyclopentyl-9H...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCC1
Show InChI InChI=1S/C10H13N5/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-7/h5-7H,1-4H2,(H2,11,12,13)
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1.80E+3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by using [3H]- PIA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50009690
PNG
(CHEMBL321753 | Cyclohexyl-(9-ethyl-9H-purin-6-yl)-...)
Show SMILES CCn1cnc2c(NC3CCCCC3)ncnc12
Show InChI InChI=1S/C13H19N5/c1-2-18-9-16-11-12(14-8-15-13(11)18)17-10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H,14,15,17)
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2.00E+3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by using [3H]- PIA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009687
PNG
(9-(Tetrahydro-furan-2-yl)-9H-purin-6-ylamine | 9-(...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCO1
Show InChI InChI=1S/C9H11N5O/c10-8-7-9(12-4-11-8)14(5-13-7)6-2-1-3-15-6/h4-6H,1-3H2,(H2,10,11,12)
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2.40E+3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Tested for inhibition of rat PC12 adenylate cyclase stimulation by using NECA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50368306
PNG
(CHEMBL1202925)
Show SMILES CC[C@@H](Nc1ncnc2n(C)cnc12)c1ccccc1
Show InChI InChI=1S/C15H17N5/c1-3-12(11-7-5-4-6-8-11)19-14-13-15(17-9-16-14)20(2)10-18-13/h4-10,12H,3H2,1-2H3,(H,16,17,19)/t12-/m1/s1
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2.50E+3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by using [3H]- PIA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50009688
PNG
((2-Chloro-9-methyl-9H-purin-6-yl)-(1-phenyl-propyl...)
Show SMILES CC[C@H](Nc1nc(Cl)nc2n(C)cnc12)c1ccccc1
Show InChI InChI=1S/C15H16ClN5/c1-3-11(10-7-5-4-6-8-10)18-13-12-14(20-15(16)19-13)21(2)9-17-12/h4-9,11H,3H2,1-2H3,(H,18,19,20)/t11-/m0/s1
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2.80E+3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by using [3H]- PIA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50080398
PNG
((2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-((S)-1-methyl-2...)
Show SMILES C[C@@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13+,15+,16+,19+/m0/s1
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3.00E+3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]- NECA binding to adenosine receptor A2A


J Med Chem 34: 3388-90 (1992)


Article DOI: 10.1021/jm00116a007
BindingDB Entry DOI: 10.7270/Q22V2GQT
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50449718
PNG
(CHEMBL312917)
Show SMILES C[C@@H](Cc1ccccc1)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H22ClN5O4/c1-10(7-11-5-3-2-4-6-11)22-16-13-17(24-19(20)23-16)25(9-21-13)18-15(28)14(27)12(8-26)29-18/h2-6,9-10,12,14-15,18,26-28H,7-8H2,1H3,(H,22,23,24)/t10-,12+,14+,15+,18+/m0/s1
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3.00E+3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of [3H]- NECA binding to adenosine receptor A2


J Med Chem 34: 3388-90 (1992)


Article DOI: 10.1021/jm00116a007
BindingDB Entry DOI: 10.7270/Q22V2GQT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50009691
PNG
(2-(6-Cyclopentylamino-purin-9-yl)-ethanol | CHEMBL...)
Show SMILES OCCn1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C12H17N5O/c18-6-5-17-8-15-10-11(13-7-14-12(10)17)16-9-3-1-2-4-9/h7-9,18H,1-6H2,(H,13,14,16)
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3.30E+3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by using [3H]- PIA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50009695
PNG
((2-Chloro-9-methyl-9H-purin-6-yl)-(1-phenyl-propyl...)
Show SMILES CC[C@@H](Nc1nc(Cl)nc2n(C)cnc12)c1ccccc1
Show InChI InChI=1S/C15H16ClN5/c1-3-11(10-7-5-4-6-8-10)18-13-12-14(20-15(16)19-13)21(2)9-17-12/h4-9,11H,3H2,1-2H3,(H,18,19,20)/t11-/m1/s1
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3.30E+3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by using [3H]- PIA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009680
PNG
(6-Amino-9-cyclopentyl-9H-purine | 9-Cyclopentyl-9H...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCC1
Show InChI InChI=1S/C10H13N5/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-7/h5-7H,1-4H2,(H2,11,12,13)
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3.40E+3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Tested for inhibition of rat PC12 adenylate cyclase stimulation by using NECA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009695
PNG
((2-Chloro-9-methyl-9H-purin-6-yl)-(1-phenyl-propyl...)
Show SMILES CC[C@@H](Nc1nc(Cl)nc2n(C)cnc12)c1ccccc1
Show InChI InChI=1S/C15H16ClN5/c1-3-11(10-7-5-4-6-8-10)18-13-12-14(20-15(16)19-13)21(2)9-17-12/h4-9,11H,3H2,1-2H3,(H,18,19,20)/t11-/m1/s1
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4.30E+3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Tested for inhibition of rat PC12 adenylate cyclase stimulation by using NECA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50009700
PNG
((1-Phenyl-propyl)-(9-phenyl-9H-purin-6-yl)-amine |...)
Show SMILES CC[C@@H](Nc1ncnc2n(cnc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H19N5/c1-2-17(15-9-5-3-6-10-15)24-19-18-20(22-13-21-19)25(14-23-18)16-11-7-4-8-12-16/h3-14,17H,2H2,1H3,(H,21,22,24)/t17-/m1/s1
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4.70E+3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by using [3H]- PIA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009696
PNG
(CHEMBL95617 | Cyclopentyl-(9-cyclopentyl-9H-purin-...)
Show SMILES C1CCC(C1)Nc1ncnc2n(cnc12)C1CCCC1
Show InChI InChI=1S/C15H21N5/c1-2-6-11(5-1)19-14-13-15(17-9-16-14)20(10-18-13)12-7-3-4-8-12/h9-12H,1-8H2,(H,16,17,19)
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5.10E+3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Tested for inhibition of rat PC12 adenylate cyclase stimulation by using NECA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009681
PNG
(9-Ethyl-9H-adenine | 9-Ethyl-9H-purin-6-ylamine | ...)
Show SMILES CCn1cnc2c(N)ncnc12
Show InChI InChI=1S/C7H9N5/c1-2-12-4-11-5-6(8)9-3-10-7(5)12/h3-4H,2H2,1H3,(H2,8,9,10)
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5.60E+3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Tested for inhibition of rat PC12 adenylate cyclase stimulation by using NECA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009686
PNG
((2-Chloro-9-methyl-9H-purin-6-yl)-cyclopentyl-amin...)
Show SMILES Cn1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C11H14ClN5/c1-17-6-13-8-9(14-7-4-2-3-5-7)15-11(12)16-10(8)17/h6-7H,2-5H2,1H3,(H,14,15,16)
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6.30E+3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Tested for inhibition of rat PC12 adenylate cyclase stimulation by using NECA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009695
PNG
((2-Chloro-9-methyl-9H-purin-6-yl)-(1-phenyl-propyl...)
Show SMILES CC[C@@H](Nc1nc(Cl)nc2n(C)cnc12)c1ccccc1
Show InChI InChI=1S/C15H16ClN5/c1-3-11(10-7-5-4-6-8-10)18-13-12-14(20-15(16)19-13)21(2)9-17-12/h4-9,11H,3H2,1-2H3,(H,18,19,20)/t11-/m1/s1
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6.80E+3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat striatum by using [3H]NECA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50009703
PNG
((9-Methyl-9H-purin-6-yl)-phenyl-amine | CHEMBL3217...)
Show SMILES Cn1cnc2c(Nc3ccccc3)ncnc12
Show InChI InChI=1S/C12H11N5/c1-17-8-15-10-11(13-7-14-12(10)17)16-9-5-3-2-4-6-9/h2-8H,1H3,(H,13,14,16)
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6.90E+3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by using [3H]- PIA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50009682
PNG
(CHEMBL96015 | Phenyl-(9-phenyl-9H-purin-6-yl)-amin...)
Show SMILES N(c1ccccc1)c1ncnc2n(cnc12)-c1ccccc1
Show InChI InChI=1S/C17H13N5/c1-3-7-13(8-4-1)21-16-15-17(19-11-18-16)22(12-20-15)14-9-5-2-6-10-14/h1-12H,(H,18,19,21)
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6.90E+3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by using [3H]- PIA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50009679
PNG
((2-Chloro-9-methyl-9H-purin-6-yl)-phenyl-amine | C...)
Show SMILES Cn1cnc2c(Nc3ccccc3)nc(Cl)nc12
Show InChI InChI=1S/C12H10ClN5/c1-18-7-14-9-10(16-12(13)17-11(9)18)15-8-5-3-2-4-6-8/h2-7H,1H3,(H,15,16,17)
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PubMed
7.00E+3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by using [3H]- PIA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50009701
PNG
((1-Phenyl-propyl)-(9-phenyl-9H-purin-6-yl)-amine |...)
Show SMILES CC[C@H](Nc1ncnc2n(cnc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H19N5/c1-2-17(15-9-5-3-6-10-15)24-19-18-20(22-13-21-19)25(14-23-18)16-11-7-4-8-12-16/h3-14,17H,2H2,1H3,(H,21,22,24)/t17-/m0/s1
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PubMed
7.20E+3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by using [3H]- PIA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009680
PNG
(6-Amino-9-cyclopentyl-9H-purine | 9-Cyclopentyl-9H...)
Show SMILES Nc1ncnc2n(cnc12)C1CCCC1
Show InChI InChI=1S/C10H13N5/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-7/h5-7H,1-4H2,(H2,11,12,13)
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PubMed
8.20E+3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat striatum by using [3H]NECA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009690
PNG
(CHEMBL321753 | Cyclohexyl-(9-ethyl-9H-purin-6-yl)-...)
Show SMILES CCn1cnc2c(NC3CCCCC3)ncnc12
Show InChI InChI=1S/C13H19N5/c1-2-18-9-16-11-12(14-8-15-13(11)18)17-10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H,14,15,17)
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PubMed
8.50E+3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Tested for inhibition of rat PC12 adenylate cyclase stimulation by using NECA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50009699
PNG
(CHEMBL319010 | Cyclopentyl-(9-phenyl-9H-purin-6-yl...)
Show SMILES C1CCC(C1)Nc1ncnc2n(cnc12)-c1ccccc1
Show InChI InChI=1S/C16H17N5/c1-2-8-13(9-3-1)21-11-19-14-15(17-10-18-16(14)21)20-12-6-4-5-7-12/h1-3,8-12H,4-7H2,(H,17,18,20)
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8.70E+3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by using [3H]- PIA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009681
PNG
(9-Ethyl-9H-adenine | 9-Ethyl-9H-purin-6-ylamine | ...)
Show SMILES CCn1cnc2c(N)ncnc12
Show InChI InChI=1S/C7H9N5/c1-2-12-4-11-5-6(8)9-3-10-7(5)12/h3-4H,2H2,1H3,(H2,8,9,10)
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PubMed
8.80E+3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat striatum by using [3H]NECA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009686
PNG
((2-Chloro-9-methyl-9H-purin-6-yl)-cyclopentyl-amin...)
Show SMILES Cn1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1S/C11H14ClN5/c1-17-6-13-8-9(14-7-4-2-3-5-7)15-11(12)16-10(8)17/h6-7H,2-5H2,1H3,(H,14,15,16)
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PubMed
9.30E+3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat striatum by using [3H]NECA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009701
PNG
((1-Phenyl-propyl)-(9-phenyl-9H-purin-6-yl)-amine |...)
Show SMILES CC[C@H](Nc1ncnc2n(cnc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H19N5/c1-2-17(15-9-5-3-6-10-15)24-19-18-20(22-13-21-19)25(14-23-18)16-11-7-4-8-12-16/h3-14,17H,2H2,1H3,(H,21,22,24)/t17-/m0/s1
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PubMed
9.90E+3n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Tested for inhibition of rat PC12 adenylate cyclase stimulation by using NECA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009684
PNG
(CHEMBL301574 | Cyclopentyl-(9-ethyl-9H-purin-6-yl)...)
Show SMILES CCn1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C12H17N5/c1-2-17-8-15-10-11(13-7-14-12(10)17)16-9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,13,14,16)
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PubMed
1.03E+4n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Tested for inhibition of rat PC12 adenylate cyclase stimulation by using NECA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009702
PNG
(2-Chloro-9-methyl-9H-purin-6-ylamine | CHEMBL31739...)
Show SMILES Cn1cnc2c(N)nc(Cl)nc12
Show InChI InChI=1S/C6H6ClN5/c1-12-2-9-3-4(8)10-6(7)11-5(3)12/h2H,1H3,(H2,8,10,11)
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PubMed
1.10E+4n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat striatum by using [3H]NECA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
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