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PubMed code 18262425

Compile data set for download or QSAR
Found 27 hits of Enzyme Inhibition Constant Data   
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))
BDBM50207816
PNG
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
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PubMed
9n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in HEK293T cells


Bioorg Med Chem 16: 3825-30 (2008)


Article DOI: 10.1016/j.bmc.2008.01.041
BindingDB Entry DOI: 10.7270/Q2028SG4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM35804
PNG
((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12
Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1
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46.2n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293T cells


Bioorg Med Chem 16: 3825-30 (2008)


Article DOI: 10.1016/j.bmc.2008.01.041
BindingDB Entry DOI: 10.7270/Q2028SG4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A3


(Homo sapiens (human))
BDBM50207817
PNG
(5,7-dibromo-9H-pyrido[3,4-b]indol-6-ol | 7-bromo-e...)
Show SMILES Oc1c(Br)cc2[nH]c3cnccc3c2c1Br
Show InChI InChI=1S/C11H6Br2N2O/c12-6-3-7-9(10(13)11(6)16)5-1-2-14-4-8(5)15-7/h1-4,15-16H
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2.05E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in HEK293T cells


Bioorg Med Chem 16: 3825-30 (2008)


Article DOI: 10.1016/j.bmc.2008.01.041
BindingDB Entry DOI: 10.7270/Q2028SG4
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50251146
PNG
(8-Hydroxy-7,9-dimethyl-delta-carboline | CHEMBL458...)
Show SMILES Cc1cc2[nH]c3cccnc3c2c(C)c1O
Show InChI InChI=1S/C13H12N2O/c1-7-6-10-11(8(2)13(7)16)12-9(15-10)4-3-5-14-12/h3-6,15-16H,1-2H3
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4.43E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in HEK293T cells


Bioorg Med Chem 16: 3825-30 (2008)


Article DOI: 10.1016/j.bmc.2008.01.041
BindingDB Entry DOI: 10.7270/Q2028SG4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50207817
PNG
(5,7-dibromo-9H-pyrido[3,4-b]indol-6-ol | 7-bromo-e...)
Show SMILES Oc1c(Br)cc2[nH]c3cnccc3c2c1Br
Show InChI InChI=1S/C11H6Br2N2O/c12-6-3-7-9(10(13)11(6)16)5-1-2-14-4-8(5)15-7/h1-4,15-16H
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4.92E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293T cells


Bioorg Med Chem 16: 3825-30 (2008)


Article DOI: 10.1016/j.bmc.2008.01.041
BindingDB Entry DOI: 10.7270/Q2028SG4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50207817
PNG
(5,7-dibromo-9H-pyrido[3,4-b]indol-6-ol | 7-bromo-e...)
Show SMILES Oc1c(Br)cc2[nH]c3cnccc3c2c1Br
Show InChI InChI=1S/C11H6Br2N2O/c12-6-3-7-9(10(13)11(6)16)5-1-2-14-4-8(5)15-7/h1-4,15-16H
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7.37E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in HEK293T cells


Bioorg Med Chem 16: 3825-30 (2008)


Article DOI: 10.1016/j.bmc.2008.01.041
BindingDB Entry DOI: 10.7270/Q2028SG4
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50251147
PNG
(8-Hydroxy-5,7,9-trimethyl-delta-carboline | CHEMBL...)
Show SMILES Cc1cc2n(C)c3cccnc3c2c(C)c1O
Show InChI InChI=1S/C14H14N2O/c1-8-7-11-12(9(2)14(8)17)13-10(16(11)3)5-4-6-15-13/h4-7,17H,1-3H3
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1.33E+4n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in HEK293T cells


Bioorg Med Chem 16: 3825-30 (2008)


Article DOI: 10.1016/j.bmc.2008.01.041
BindingDB Entry DOI: 10.7270/Q2028SG4
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50251138
PNG
(6-Hydroxy-5,7-dimethyl-beta-carboline | CHEMBL4585...)
Show SMILES Cc1cc2[nH]c3cnccc3c2c(C)c1O
Show InChI InChI=1S/C13H12N2O/c1-7-5-10-12(8(2)13(7)16)9-3-4-14-6-11(9)15-10/h3-6,15-16H,1-2H3
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1.77E+4n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in HEK293T cells


Bioorg Med Chem 16: 3825-30 (2008)


Article DOI: 10.1016/j.bmc.2008.01.041
BindingDB Entry DOI: 10.7270/Q2028SG4
More data for this
Ligand-Target Pair
Adenosine receptor A3


(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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1.77E+4n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in HEK293T cells


Bioorg Med Chem 16: 3825-30 (2008)


Article DOI: 10.1016/j.bmc.2008.01.041
BindingDB Entry DOI: 10.7270/Q2028SG4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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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PubMed
1.81E+4n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293T cells


Bioorg Med Chem 16: 3825-30 (2008)


Article DOI: 10.1016/j.bmc.2008.01.041
BindingDB Entry DOI: 10.7270/Q2028SG4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50251146
PNG
(8-Hydroxy-7,9-dimethyl-delta-carboline | CHEMBL458...)
Show SMILES Cc1cc2[nH]c3cccnc3c2c(C)c1O
Show InChI InChI=1S/C13H12N2O/c1-7-6-10-11(8(2)13(7)16)12-9(15-10)4-3-5-14-12/h3-6,15-16H,1-2H3
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2.49E+4n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293T cells


Bioorg Med Chem 16: 3825-30 (2008)


Article DOI: 10.1016/j.bmc.2008.01.041
BindingDB Entry DOI: 10.7270/Q2028SG4
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50377935
PNG
(CHEMBL541164)
Show SMILES Cc1cc2[nH]c3c[n+](C)ccc3c2c(C)c1O
Show InChI InChI=1S/C14H14N2O/c1-8-6-11-13(9(2)14(8)17)10-4-5-16(3)7-12(10)15-11/h4-7,17H,1-3H3/p+1
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2.97E+4n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in HEK293T cells


Bioorg Med Chem 16: 3825-30 (2008)


Article DOI: 10.1016/j.bmc.2008.01.041
BindingDB Entry DOI: 10.7270/Q2028SG4
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50251139
PNG
(6-Hydroxy-5,7,9-trimethyl-beta-carboline | CHEMBL4...)
Show SMILES Cc1cc2n(C)c3cnccc3c2c(C)c1O
Show InChI InChI=1S/C14H14N2O/c1-8-6-11-13(9(2)14(8)17)10-4-5-15-7-12(10)16(11)3/h4-7,17H,1-3H3
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4.34E+4n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in HEK293T cells


Bioorg Med Chem 16: 3825-30 (2008)


Article DOI: 10.1016/j.bmc.2008.01.041
BindingDB Entry DOI: 10.7270/Q2028SG4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50251147
PNG
(8-Hydroxy-5,7,9-trimethyl-delta-carboline | CHEMBL...)
Show SMILES Cc1cc2n(C)c3cccnc3c2c(C)c1O
Show InChI InChI=1S/C14H14N2O/c1-8-7-11-12(9(2)14(8)17)13-10(16(11)3)5-4-6-15-13/h4-7,17H,1-3H3
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4.41E+4n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293T cells


Bioorg Med Chem 16: 3825-30 (2008)


Article DOI: 10.1016/j.bmc.2008.01.041
BindingDB Entry DOI: 10.7270/Q2028SG4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(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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4.90E+4n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in HEK293T cells


Bioorg Med Chem 16: 3825-30 (2008)


Article DOI: 10.1016/j.bmc.2008.01.041
BindingDB Entry DOI: 10.7270/Q2028SG4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50251139
PNG
(6-Hydroxy-5,7,9-trimethyl-beta-carboline | CHEMBL4...)
Show SMILES Cc1cc2n(C)c3cnccc3c2c(C)c1O
Show InChI InChI=1S/C14H14N2O/c1-8-6-11-13(9(2)14(8)17)10-4-5-15-7-12(10)16(11)3/h4-7,17H,1-3H3
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8.06E+4n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293T cells


Bioorg Med Chem 16: 3825-30 (2008)


Article DOI: 10.1016/j.bmc.2008.01.041
BindingDB Entry DOI: 10.7270/Q2028SG4
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50377934
PNG
(CHEMBL540656)
Show SMILES Cc1cc2n(C)c3c[n+](C)ccc3c2c(C)c1O
Show InChI InChI=1S/C15H16N2O/c1-9-7-12-14(10(2)15(9)18)11-5-6-16(3)8-13(11)17(12)4/h5-8H,1-4H3/p+1
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>1.00E+5n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in HEK293T cells


Bioorg Med Chem 16: 3825-30 (2008)


Article DOI: 10.1016/j.bmc.2008.01.041
BindingDB Entry DOI: 10.7270/Q2028SG4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50377935
PNG
(CHEMBL541164)
Show SMILES Cc1cc2[nH]c3c[n+](C)ccc3c2c(C)c1O
Show InChI InChI=1S/C14H14N2O/c1-8-6-11-13(9(2)14(8)17)10-4-5-16(3)7-12(10)15-11/h4-7,17H,1-3H3/p+1
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>1.00E+5n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293T cells


Bioorg Med Chem 16: 3825-30 (2008)


Article DOI: 10.1016/j.bmc.2008.01.041
BindingDB Entry DOI: 10.7270/Q2028SG4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50377934
PNG
(CHEMBL540656)
Show SMILES Cc1cc2n(C)c3c[n+](C)ccc3c2c(C)c1O
Show InChI InChI=1S/C15H16N2O/c1-9-7-12-14(10(2)15(9)18)11-5-6-16(3)8-13(11)17(12)4/h5-8H,1-4H3/p+1
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>1.00E+5n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in HEK293T cells


Bioorg Med Chem 16: 3825-30 (2008)


Article DOI: 10.1016/j.bmc.2008.01.041
BindingDB Entry DOI: 10.7270/Q2028SG4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50251147
PNG
(8-Hydroxy-5,7,9-trimethyl-delta-carboline | CHEMBL...)
Show SMILES Cc1cc2n(C)c3cccnc3c2c(C)c1O
Show InChI InChI=1S/C14H14N2O/c1-8-7-11-12(9(2)14(8)17)13-10(16(11)3)5-4-6-15-13/h4-7,17H,1-3H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in HEK293T cells


Bioorg Med Chem 16: 3825-30 (2008)


Article DOI: 10.1016/j.bmc.2008.01.041
BindingDB Entry DOI: 10.7270/Q2028SG4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50377935
PNG
(CHEMBL541164)
Show SMILES Cc1cc2[nH]c3c[n+](C)ccc3c2c(C)c1O
Show InChI InChI=1S/C14H14N2O/c1-8-6-11-13(9(2)14(8)17)10-4-5-16(3)7-12(10)15-11/h4-7,17H,1-3H3/p+1
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>1.00E+5n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in HEK293T cells


Bioorg Med Chem 16: 3825-30 (2008)


Article DOI: 10.1016/j.bmc.2008.01.041
BindingDB Entry DOI: 10.7270/Q2028SG4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50251138
PNG
(6-Hydroxy-5,7-dimethyl-beta-carboline | CHEMBL4585...)
Show SMILES Cc1cc2[nH]c3cnccc3c2c(C)c1O
Show InChI InChI=1S/C13H12N2O/c1-7-5-10-12(8(2)13(7)16)9-3-4-14-6-11(9)15-10/h3-6,15-16H,1-2H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in HEK293T cells


Bioorg Med Chem 16: 3825-30 (2008)


Article DOI: 10.1016/j.bmc.2008.01.041
BindingDB Entry DOI: 10.7270/Q2028SG4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50251138
PNG
(6-Hydroxy-5,7-dimethyl-beta-carboline | CHEMBL4585...)
Show SMILES Cc1cc2[nH]c3cnccc3c2c(C)c1O
Show InChI InChI=1S/C13H12N2O/c1-7-5-10-12(8(2)13(7)16)9-3-4-14-6-11(9)15-10/h3-6,15-16H,1-2H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293T cells


Bioorg Med Chem 16: 3825-30 (2008)


Article DOI: 10.1016/j.bmc.2008.01.041
BindingDB Entry DOI: 10.7270/Q2028SG4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50251146
PNG
(8-Hydroxy-7,9-dimethyl-delta-carboline | CHEMBL458...)
Show SMILES Cc1cc2[nH]c3cccnc3c2c(C)c1O
Show InChI InChI=1S/C13H12N2O/c1-7-6-10-11(8(2)13(7)16)12-9(15-10)4-3-5-14-12/h3-6,15-16H,1-2H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in HEK293T cells


Bioorg Med Chem 16: 3825-30 (2008)


Article DOI: 10.1016/j.bmc.2008.01.041
BindingDB Entry DOI: 10.7270/Q2028SG4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50251139
PNG
(6-Hydroxy-5,7,9-trimethyl-beta-carboline | CHEMBL4...)
Show SMILES Cc1cc2n(C)c3cnccc3c2c(C)c1O
Show InChI InChI=1S/C14H14N2O/c1-8-6-11-13(9(2)14(8)17)10-4-5-15-7-12(10)16(11)3/h4-7,17H,1-3H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in HEK293T cells


Bioorg Med Chem 16: 3825-30 (2008)


Article DOI: 10.1016/j.bmc.2008.01.041
BindingDB Entry DOI: 10.7270/Q2028SG4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50377934
PNG
(CHEMBL540656)
Show SMILES Cc1cc2n(C)c3c[n+](C)ccc3c2c(C)c1O
Show InChI InChI=1S/C15H16N2O/c1-9-7-12-14(10(2)15(9)18)11-5-6-16(3)8-13(11)17(12)4/h5-8H,1-4H3/p+1
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>1.00E+5n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293T cells


Bioorg Med Chem 16: 3825-30 (2008)


Article DOI: 10.1016/j.bmc.2008.01.041
BindingDB Entry DOI: 10.7270/Q2028SG4
More data for this
Ligand-Target Pair
Adenosine receptor A3


(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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>1.00E+5n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in HEK293T cells


Bioorg Med Chem 16: 3825-30 (2008)


Article DOI: 10.1016/j.bmc.2008.01.041
BindingDB Entry DOI: 10.7270/Q2028SG4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%