Compile Data Set for Download or QSAR
Found 37 Enz. Inhib. hit(s) with all data for entry = 50005702
TargetAdenosine receptor A1(BOVINE)
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM21173(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)
Affinity DataKi:  0.460nMAssay Description:Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM21173(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)
Affinity DataKi:  340nMAssay Description:Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(BOVINE)
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM50040052(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
Affinity DataKi:  340nMAssay Description:Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(BOVINE)
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM50040056(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
Affinity DataKi:  1.10E+3nMAssay Description:Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(BOVINE)
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM50040060(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
Affinity DataKi:  1.30E+3nMAssay Description:Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(BOVINE)
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM50040063(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
Affinity DataKi:  1.40E+3nMAssay Description:Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(BOVINE)
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM50040054(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
Affinity DataKi:  1.50E+3nMAssay Description:Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(BOVINE)
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM50040048(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
Affinity DataKi:  1.60E+3nMAssay Description:Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(BOVINE)
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM50040051(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
Affinity DataKi:  1.80E+3nMAssay Description:Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM50040057(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
Affinity DataKi:  4.50E+3nMAssay Description:Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM50040058(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
Affinity DataKi:  8.40E+3nMAssay Description:Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(BOVINE)
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM10847(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)
Affinity DataKi:  8.50E+3nMAssay Description:Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM50040052(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
Affinity DataKi:  1.00E+4nMAssay Description:Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(BOVINE)
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM50040047(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
Affinity DataKi:  1.10E+4nMAssay Description:Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM50040060(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
Affinity DataKi:  1.30E+4nMAssay Description:Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM50040051(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
Affinity DataKi:  1.35E+4nMAssay Description:Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(BOVINE)
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM50040049(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
Affinity DataKi:  1.40E+4nMAssay Description:Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(BOVINE)
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM50040057(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
Affinity DataKi:  1.80E+4nMAssay Description:Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM50040048(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
Affinity DataKi:  2.17E+4nMAssay Description:Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM50040056(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
Affinity DataKi:  2.29E+4nMAssay Description:Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(BOVINE)
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM50040058(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
Affinity DataKi:  2.30E+4nMAssay Description:Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(BOVINE)
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM50040061(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
Affinity DataKi:  2.40E+4nMAssay Description:Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM10847(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)
Affinity DataKi:  2.50E+4nMAssay Description:Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM50040054(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
Affinity DataKi:  2.89E+4nMAssay Description:Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(BOVINE)
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM10849(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
Affinity DataKi:  2.90E+4nMAssay Description:Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(BOVINE)
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM50040053(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
Affinity DataKi:  3.10E+4nMAssay Description:Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(BOVINE)
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM50040050(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
Affinity DataKi:  3.60E+4nMAssay Description:Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(BOVINE)
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM50040062(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
Affinity DataKi:  4.40E+4nMAssay Description:Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM50040049(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
Affinity DataKi:  4.60E+4nMAssay Description:Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM10849(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
Affinity DataKi:  4.80E+4nMAssay Description:Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM50040053(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
Affinity DataKi:  4.90E+4nMAssay Description:Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM50040064(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
Affinity DataKi:  5.28E+4nMAssay Description:Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM50040055(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
Affinity DataKi:  5.80E+4nMAssay Description:Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(BOVINE)
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM50040055(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
Affinity DataKi:  1.10E+5nMAssay Description:Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(BOVINE)
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM50040059(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
Affinity DataKi:  1.14E+5nMAssay Description:Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM50040050(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
Affinity DataKi:  2.50E+5nMAssay Description:Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Università di Camerino

Curated by ChEMBL
LigandPNGBDBM50040047(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
Affinity DataKi:  2.92E+5nMAssay Description:Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membraneMore data for this Ligand-Target Pair