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Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50005702   
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 A1 receptor


(BOVINE)
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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0.460n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine receptor A2


(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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340n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50040052
PNG
(1-Cyclopentyl-4,6-dipropyl-1,4-dihydro-[1,2,3]tria...)
Show SMILES CCCn1c2nnn(C3CCCC3)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C15H23N5O2/c1-3-9-18-13-12(14(21)19(10-4-2)15(18)22)20(17-16-13)11-7-5-6-8-11/h11H,3-10H2,1-2H3
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340n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50040056
PNG
(1-Cyclohexyl-4,6-dipropyl-1,4-dihydro-[1,2,3]triaz...)
Show SMILES CCCn1c2nnn(C3CCCCC3)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C16H25N5O2/c1-3-10-19-14-13(15(22)20(11-4-2)16(19)23)21(18-17-14)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3
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1.10E+3n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50040060
PNG
(2-Cyclopentyl-4,6-dipropyl-2,4-dihydro-[1,2,3]tria...)
Show SMILES CCCn1c2nn(nc2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C15H23N5O2/c1-3-9-18-13-12(14(21)19(10-4-2)15(18)22)16-20(17-13)11-7-5-6-8-11/h11H,3-10H2,1-2H3
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1.30E+3n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50040063
PNG
(2-(2-Hydroxy-cyclohexyl)-4,6-dipropyl-2,4-dihydro-...)
Show SMILES CCCn1c2nn(nc2c(=O)n(CCC)c1=O)C1CCCCC1O
Show InChI InChI=1S/C16H25N5O3/c1-3-9-19-14-13(15(23)20(10-4-2)16(19)24)17-21(18-14)11-7-5-6-8-12(11)22/h11-12,22H,3-10H2,1-2H3
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1.40E+3n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50040054
PNG
(2-(2-Amino-4-chloro-phenyl)-4,6-dipropyl-2,4-dihyd...)
Show SMILES CCCn1c2nn(nc2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1N
Show InChI InChI=1S/C16H19ClN6O2/c1-3-7-21-14-13(15(24)22(8-4-2)16(21)25)19-23(20-14)12-6-5-10(17)9-11(12)18/h5-6,9H,3-4,7-8,18H2,1-2H3
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1.50E+3n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50040048
PNG
(2-Cyclohexyl-4,6-dipropyl-2,4-dihydro-[1,2,3]triaz...)
Show SMILES CCCn1c2nn(nc2c(=O)n(CCC)c1=O)C1CCCCC1
Show InChI InChI=1S/C16H25N5O2/c1-3-10-19-14-13(15(22)20(11-4-2)16(19)23)17-21(18-14)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3
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1.60E+3n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50040051
PNG
(1-(2-Hydroxy-cyclohexyl)-4,6-dipropyl-1,4-dihydro-...)
Show SMILES CCCn1c2nnn(C3CCCCC3O)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C16H25N5O3/c1-3-9-19-14-13(15(23)20(10-4-2)16(19)24)21(18-17-14)11-7-5-6-8-12(11)22/h11-12,22H,3-10H2,1-2H3
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1.80E+3n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (human))
BDBM50040057
PNG
(1-Bicyclo[2.2.1]hept-2-yl-4,6-dimethyl-1,4-dihydro...)
Show SMILES Cn1c2nnn(C3CC4CCC3C4)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C13H17N5O2/c1-16-11-10(12(19)17(2)13(16)20)18(15-14-11)9-6-7-3-4-8(9)5-7/h7-9H,3-6H2,1-2H3
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4.50E+3n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (human))
BDBM50040058
PNG
(1-Cyclohexyl-4,6-dimethyl-1,4-dihydro-[1,2,3]triaz...)
Show SMILES Cn1c2nnn(C3CCCCC3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C12H17N5O2/c1-15-10-9(11(18)16(2)12(15)19)17(14-13-10)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
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8.40E+3n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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8.50E+3n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (human))
BDBM50040052
PNG
(1-Cyclopentyl-4,6-dipropyl-1,4-dihydro-[1,2,3]tria...)
Show SMILES CCCn1c2nnn(C3CCCC3)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C15H23N5O2/c1-3-9-18-13-12(14(21)19(10-4-2)15(18)22)20(17-16-13)11-7-5-6-8-11/h11H,3-10H2,1-2H3
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1.00E+4n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50040047
PNG
(1-Cyclopentyl-4,6-dimethyl-1,4-dihydro-[1,2,3]tria...)
Show SMILES Cn1c2nnn(C3CCCC3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C11H15N5O2/c1-14-9-8(10(17)15(2)11(14)18)16(13-12-9)7-5-3-4-6-7/h7H,3-6H2,1-2H3
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1.10E+4n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (human))
BDBM50040060
PNG
(2-Cyclopentyl-4,6-dipropyl-2,4-dihydro-[1,2,3]tria...)
Show SMILES CCCn1c2nn(nc2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C15H23N5O2/c1-3-9-18-13-12(14(21)19(10-4-2)15(18)22)16-20(17-13)11-7-5-6-8-11/h11H,3-10H2,1-2H3
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1.30E+4n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (human))
BDBM50040051
PNG
(1-(2-Hydroxy-cyclohexyl)-4,6-dipropyl-1,4-dihydro-...)
Show SMILES CCCn1c2nnn(C3CCCCC3O)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C16H25N5O3/c1-3-9-19-14-13(15(23)20(10-4-2)16(19)24)21(18-17-14)11-7-5-6-8-12(11)22/h11-12,22H,3-10H2,1-2H3
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1.35E+4n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50040049
PNG
(1-(2-Amino-4-chloro-phenyl)-4,6-dimethyl-1,4-dihyd...)
Show SMILES Cn1c2nnn(-c3ccc(Cl)cc3N)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C12H11ClN6O2/c1-17-10-9(11(20)18(2)12(17)21)19(16-15-10)8-4-3-6(13)5-7(8)14/h3-5H,14H2,1-2H3
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1.40E+4n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50040057
PNG
(1-Bicyclo[2.2.1]hept-2-yl-4,6-dimethyl-1,4-dihydro...)
Show SMILES Cn1c2nnn(C3CC4CCC3C4)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C13H17N5O2/c1-16-11-10(12(19)17(2)13(16)20)18(15-14-11)9-6-7-3-4-8(9)5-7/h7-9H,3-6H2,1-2H3
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1.80E+4n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (human))
BDBM50040048
PNG
(2-Cyclohexyl-4,6-dipropyl-2,4-dihydro-[1,2,3]triaz...)
Show SMILES CCCn1c2nn(nc2c(=O)n(CCC)c1=O)C1CCCCC1
Show InChI InChI=1S/C16H25N5O2/c1-3-10-19-14-13(15(22)20(11-4-2)16(19)23)17-21(18-14)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3
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2.17E+4n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (human))
BDBM50040056
PNG
(1-Cyclohexyl-4,6-dipropyl-1,4-dihydro-[1,2,3]triaz...)
Show SMILES CCCn1c2nnn(C3CCCCC3)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C16H25N5O2/c1-3-10-19-14-13(15(22)20(11-4-2)16(19)23)21(18-17-14)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3
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2.29E+4n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50040058
PNG
(1-Cyclohexyl-4,6-dimethyl-1,4-dihydro-[1,2,3]triaz...)
Show SMILES Cn1c2nnn(C3CCCCC3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C12H17N5O2/c1-15-10-9(11(18)16(2)12(15)19)17(14-13-10)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
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2.30E+4n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50040061
PNG
(2-(2-Amino-4-chloro-phenyl)-4,6-dimethyl-2,4-dihyd...)
Show SMILES Cn1c2nn(nc2c(=O)n(C)c1=O)-c1ccc(Cl)cc1N
Show InChI InChI=1S/C12H11ClN6O2/c1-17-10-9(11(20)18(2)12(17)21)15-19(16-10)8-4-3-6(13)5-7(8)14/h3-5H,14H2,1-2H3
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2.40E+4n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (human))
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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2.50E+4n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (human))
BDBM50040054
PNG
(2-(2-Amino-4-chloro-phenyl)-4,6-dipropyl-2,4-dihyd...)
Show SMILES CCCn1c2nn(nc2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1N
Show InChI InChI=1S/C16H19ClN6O2/c1-3-7-21-14-13(15(24)22(8-4-2)16(21)25)19-23(20-14)12-6-5-10(17)9-11(12)18/h5-6,9H,3-4,7-8,18H2,1-2H3
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2.89E+4n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
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2.90E+4n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50040053
PNG
(2-Bicyclo[2.2.1]hept-2-yl-4,6-dimethyl-2,4-dihydro...)
Show SMILES Cn1c2nn(nc2c(=O)n(C)c1=O)C1CC2CCC1C2
Show InChI InChI=1S/C13H17N5O2/c1-16-11-10(12(19)17(2)13(16)20)14-18(15-11)9-6-7-3-4-8(9)5-7/h7-9H,3-6H2,1-2H3
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3.10E+4n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50040050
PNG
(2-Cyclohexyl-4,6-dimethyl-2,4-dihydro-[1,2,3]triaz...)
Show SMILES Cn1c2nn(nc2c(=O)n(C)c1=O)C1CCCCC1
Show InChI InChI=1S/C12H17N5O2/c1-15-10-9(11(18)16(2)12(15)19)13-17(14-10)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
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3.60E+4n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50040062
PNG
(1-(2-Amino-4-chloro-phenyl)-4,6-dipropyl-1,4-dihyd...)
Show SMILES CCCn1c2nnn(-c3ccc(Cl)cc3N)c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C16H19ClN6O2/c1-3-7-21-14-13(15(24)22(8-4-2)16(21)25)23(20-19-14)12-6-5-10(17)9-11(12)18/h5-6,9H,3-4,7-8,18H2,1-2H3
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4.40E+4n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (human))
BDBM50040049
PNG
(1-(2-Amino-4-chloro-phenyl)-4,6-dimethyl-1,4-dihyd...)
Show SMILES Cn1c2nnn(-c3ccc(Cl)cc3N)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C12H11ClN6O2/c1-17-10-9(11(20)18(2)12(17)21)19(16-15-10)8-4-3-6(13)5-7(8)14/h3-5H,14H2,1-2H3
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4.60E+4n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (human))
BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
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4.80E+4n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A2


(Homo sapiens (human))
BDBM50040053
PNG
(2-Bicyclo[2.2.1]hept-2-yl-4,6-dimethyl-2,4-dihydro...)
Show SMILES Cn1c2nn(nc2c(=O)n(C)c1=O)C1CC2CCC1C2
Show InChI InChI=1S/C13H17N5O2/c1-16-11-10(12(19)17(2)13(16)20)14-18(15-11)9-6-7-3-4-8(9)5-7/h7-9H,3-6H2,1-2H3
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4.90E+4n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (human))
BDBM50040064
PNG
(2,4,6-Trimethyl-1,4-dihydro-[1,2,3]triazolo[4,5-d]...)
Show SMILES Cn1nc2n(C)c(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C7H9N5O2/c1-10-5-4(8-12(3)9-5)6(13)11(2)7(10)14/h1-3H3
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5.28E+4n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (human))
BDBM50040055
PNG
(2-Cyclopentyl-4,6-dimethyl-2,4-dihydro-[1,2,3]tria...)
Show SMILES Cn1c2nn(nc2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C11H15N5O2/c1-14-9-8(10(17)15(2)11(14)18)12-16(13-9)7-5-3-4-6-7/h7H,3-6H2,1-2H3
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5.80E+4n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50040055
PNG
(2-Cyclopentyl-4,6-dimethyl-2,4-dihydro-[1,2,3]tria...)
Show SMILES Cn1c2nn(nc2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C11H15N5O2/c1-14-9-8(10(17)15(2)11(14)18)12-16(13-9)7-5-3-4-6-7/h7H,3-6H2,1-2H3
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1.10E+5n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50040059
PNG
(1-(2-Hydroxy-cyclohexyl)-4,6-dimethyl-1,4-dihydro-...)
Show SMILES Cn1c2nnn(C3CCCCC3O)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C12H17N5O3/c1-15-10-9(11(19)16(2)12(15)20)17(14-13-10)7-5-3-4-6-8(7)18/h7-8,18H,3-6H2,1-2H3
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1.14E+5n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (human))
BDBM50040050
PNG
(2-Cyclohexyl-4,6-dimethyl-2,4-dihydro-[1,2,3]triaz...)
Show SMILES Cn1c2nn(nc2c(=O)n(C)c1=O)C1CCCCC1
Show InChI InChI=1S/C12H17N5O2/c1-15-10-9(11(18)16(2)12(15)19)13-17(14-10)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
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2.50E+5n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (human))
BDBM50040047
PNG
(1-Cyclopentyl-4,6-dimethyl-1,4-dihydro-[1,2,3]tria...)
Show SMILES Cn1c2nnn(C3CCCC3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C11H15N5O2/c1-14-9-8(10(17)15(2)11(14)18)16(13-12-9)7-5-3-4-6-7/h7H,3-6H2,1-2H3
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2.92E+5n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by ChEMBL


Assay Description
Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membrane


J Med Chem 37: 2970-5 (1994)


Article DOI: 10.1021/jm00044a018
BindingDB Entry DOI: 10.7270/Q23777ST
More data for this
Ligand-Target Pair