Found 142 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50393167
(CHEMBL2153721)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1C2CC3OC(=O)C1C3C2 |TLB:22:24:26:19.20,21:20:24.17:26,THB:6:17:26:19.20| Show InChI InChI=1S/C19H24N4O4/c1-3-5-22-16-14(17(24)23(6-4-2)19(22)26)20-15(21-16)12-9-7-10-11(8-9)27-18(25)13(10)12/h9-13H,3-8H2,1-2H3,(H,20,21) | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in rat brain cortical membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50004587
(8-Adamantan-1-yl-1,3-dipropyl-3,7-dihydro-purine-2...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC(CC(C3)C1)C2 |TLB:24:19:26:25.23.22,24:23:26:18.19.20,20:21:25:18.19.24,THB:20:19:25:26.21.22| Show InChI InChI=1S/C21H30N4O2/c1-3-5-24-17-16(18(26)25(6-4-2)20(24)27)22-19(23-17)21-10-13-7-14(11-21)9-15(8-13)12-21/h13-15H,3-12H2,1-2H3,(H,22,23) | PDB
Reactome pathway
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PC sid
UniChem
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| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in rat brain cortical membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50176050
(8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...)Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+ | PDB
MMDB
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| PDB
Article
PubMed
| 5.15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50084860
(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)Show SMILES COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1 Show InChI InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+ | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
MCE
PC cid
PC sid
UniChem
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Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50176050
(8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...)Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+ | PDB
MMDB
NCI pathway
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| PDB
Article
PubMed
| 90.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50176050
(8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...)Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+ | PDB
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| Article
PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393188
(CHEMBL2153620)Show SMILES CC1CCC(CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(38.63,-4.22,;37.75,-2.96,;36.21,-3.1,;35.33,-1.85,;35.97,-.45,;37.5,-.3,;38.39,-1.56,;35.09,.81,;35.73,2.22,;34.83,3.48,;33.29,3.33,;32.65,1.92,;33.55,.66,;32.65,-.58,;31.19,-.1,;29.86,-.86,;29.86,-2.4,;28.53,-.1,;27.2,-.87,;28.53,1.44,;27.2,2.2,;29.86,2.21,;29.86,3.75,;31.19,1.44,)| Show InChI InChI=1S/C17H25N5O2/c1-11-5-7-12(8-6-11)21-9-4-10-22-13-14(18-16(21)22)19(2)17(24)20(3)15(13)23/h11-12H,4-10H2,1-3H3 | PDB
MMDB
Reactome pathway
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| Article
PubMed
| 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393167
(CHEMBL2153721)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1C2CC3OC(=O)C1C3C2 |TLB:22:24:26:19.20,21:20:24.17:26,THB:6:17:26:19.20| Show InChI InChI=1S/C19H24N4O4/c1-3-5-22-16-14(17(24)23(6-4-2)19(22)26)20-15(21-16)12-9-7-10-11(8-9)27-18(25)13(10)12/h9-13H,3-8H2,1-2H3,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 269 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [125I]ZM241385 from adenosine A2A receptor in rat brain striatum membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50393192
(CHEMBL2153629)Show InChI InChI=1S/C17H25N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-11-10-21(16(22)18-14)12-8-6-4-3-5-7-9-12/h12H,3-11H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 306 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393192
(CHEMBL2153629)Show InChI InChI=1S/C17H25N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-11-10-21(16(22)18-14)12-8-6-4-3-5-7-9-12/h12H,3-11H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50393172
(CHEMBL2153627)Show InChI InChI=1S/C14H19N5O2/c1-16-11-10(12(20)17(2)14(16)21)19-7-3-6-18(13(19)15-11)8-9-4-5-9/h9H,3-8H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 417 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393181
(CHEMBL2153614)Show SMILES Cn1c2nc3N(CCC4=CCCCC4)CCCn3c2c(=O)n(C)c1=O |t:8| Show InChI InChI=1S/C18H25N5O2/c1-20-15-14(16(24)21(2)18(20)25)23-11-6-10-22(17(23)19-15)12-9-13-7-4-3-5-8-13/h7H,3-6,8-12H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393189
(CHEMBL2153612)Show InChI InChI=1S/C18H27N5O2/c1-20-15-14(16(24)21(2)18(20)25)23-12-8-11-22(17(23)19-15)13-9-6-4-3-5-7-10-13/h13H,3-12H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
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CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50393188
(CHEMBL2153620)Show SMILES CC1CCC(CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(38.63,-4.22,;37.75,-2.96,;36.21,-3.1,;35.33,-1.85,;35.97,-.45,;37.5,-.3,;38.39,-1.56,;35.09,.81,;35.73,2.22,;34.83,3.48,;33.29,3.33,;32.65,1.92,;33.55,.66,;32.65,-.58,;31.19,-.1,;29.86,-.86,;29.86,-2.4,;28.53,-.1,;27.2,-.87,;28.53,1.44,;27.2,2.2,;29.86,2.21,;29.86,3.75,;31.19,1.44,)| Show InChI InChI=1S/C17H25N5O2/c1-11-5-7-12(8-6-11)21-9-4-10-22-13-14(18-16(21)22)19(2)17(24)20(3)15(13)23/h11-12H,4-10H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393177
(CHEMBL2153618)Show InChI InChI=1S/C17H25N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-10-6-9-21(16(22)18-14)11-12-7-4-3-5-8-12/h12H,3-11H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50393192
(CHEMBL2153629)Show InChI InChI=1S/C17H25N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-11-10-21(16(22)18-14)12-8-6-4-3-5-7-9-12/h12H,3-11H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393191
(CHEMBL2153624)Show InChI InChI=1S/C16H23N5O2/c1-18-13-12(14(22)19(2)16(18)23)21-10-6-9-20(15(21)17-13)11-7-4-3-5-8-11/h11H,3-10H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393187
(CHEMBL2153607)Show SMILES CC1CCC(CC1)N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(18.08,-19.63,;17.5,-18.21,;15.98,-18,;15.39,-16.59,;16.33,-15.37,;17.86,-15.56,;18.44,-16.99,;15.75,-13.95,;16.79,-12.78,;16.52,-11.25,;15.16,-10.49,;13.73,-11.09,;13.3,-12.59,;14.19,-13.86,;13.29,-15.1,;11.82,-14.62,;10.5,-15.38,;10.5,-16.92,;9.17,-14.62,;7.84,-15.39,;9.17,-13.08,;7.83,-12.32,;10.5,-12.31,;10.5,-10.77,;11.82,-13.08,)| Show InChI InChI=1S/C18H27N5O2/c1-12-6-8-13(9-7-12)22-10-4-5-11-23-14-15(19-17(22)23)20(2)18(25)21(3)16(14)24/h12-13H,4-11H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50393193
(CHEMBL2153626)Show InChI InChI=1S/C14H19N5O2/c1-16-11-10(12(20)17(2)14(16)21)19-8-4-7-18(13(19)15-11)9-5-3-6-9/h9H,3-8H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 847 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393180
(CHEMBL2153615)Show SMILES C[C@@H](C1CCCCC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |r| Show InChI InChI=1S/C18H27N5O2/c1-12(13-8-5-4-6-9-13)22-10-7-11-23-14-15(19-17(22)23)20(2)18(25)21(3)16(14)24/h12-13H,4-11H2,1-3H3/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 887 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50084860
(3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl...)Show SMILES COc1cccc(\C=C\c2nc3n(CCCO)c(=O)n(CC#C)c(=O)c3n2C)c1 Show InChI InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CHA from adenosine A1 receptor in rat brain cortical membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50393181
(CHEMBL2153614)Show SMILES Cn1c2nc3N(CCC4=CCCCC4)CCCn3c2c(=O)n(C)c1=O |t:8| Show InChI InChI=1S/C18H25N5O2/c1-20-15-14(16(24)21(2)18(20)25)23-11-6-10-22(17(23)19-15)12-9-13-7-4-3-5-8-13/h7H,3-6,8-12H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 933 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393172
(CHEMBL2153627)Show InChI InChI=1S/C14H19N5O2/c1-16-11-10(12(20)17(2)14(16)21)19-7-3-6-18(13(19)15-11)8-9-4-5-9/h9H,3-8H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393173
(CHEMBL2153625)Show InChI InChI=1S/C15H21N5O2/c1-17-12-11(13(21)18(2)15(17)22)20-9-5-8-19(14(20)16-12)10-6-3-4-7-10/h10H,3-9H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393176
(CHEMBL2153619)Show InChI InChI=1S/C17H25N5O2/c1-11-7-4-5-8-12(11)21-9-6-10-22-13-14(18-16(21)22)19(2)17(24)20(3)15(13)23/h11-12H,4-10H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50004587
(8-Adamantan-1-yl-1,3-dipropyl-3,7-dihydro-purine-2...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC(CC(C3)C1)C2 |TLB:24:19:26:25.23.22,24:23:26:18.19.20,20:21:25:18.19.24,THB:20:19:25:26.21.22| Show InChI InChI=1S/C21H30N4O2/c1-3-5-24-17-16(18(26)25(6-4-2)20(24)27)22-19(23-17)21-10-13-7-14(11-21)9-15(8-13)12-21/h13-15H,3-12H2,1-2H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50393182
(CHEMBL2153613)Show InChI InChI=1S/C17H25N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-11-7-10-21(16(22)18-14)12-8-5-3-4-6-9-12/h12H,3-11H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393197
(CHEMBL2153604)Show SMILES Cn1c2nc3N(CCC4=CCCCC4)CCCCn3c2c(=O)n(C)c1=O |t:8| Show InChI InChI=1S/C19H27N5O2/c1-21-16-15(17(25)22(2)19(21)26)24-12-7-6-11-23(18(24)20-16)13-10-14-8-4-3-5-9-14/h8H,3-7,9-13H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393199
(CHEMBL2153628)Show InChI InChI=1S/C13H17N5O2/c1-15-10-9(11(19)16(2)13(15)20)18-7-3-6-17(8-4-5-8)12(18)14-10/h8H,3-7H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393178
(CHEMBL2153617)Show SMILES CC(C1CCCCC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 Show InChI InChI=1S/C18H27N5O2/c1-12(13-8-5-4-6-9-13)22-10-7-11-23-14-15(19-17(22)23)20(2)18(25)21(3)16(14)24/h12-13H,4-11H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50393183
(CHEMBL2153611)Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C12CC3CC(CC(C3)C1)C2 |TLB:5:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23| Show InChI InChI=1S/C20H27N5O2/c1-22-16-15(17(26)23(2)19(22)27)24-4-3-5-25(18(24)21-16)20-9-12-6-13(10-20)8-14(7-12)11-20/h12-14H,3-11H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393179
(CHEMBL2153616)Show SMILES C[C@H](C1CCCCC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |r| Show InChI InChI=1S/C18H27N5O2/c1-12(13-8-5-4-6-9-13)22-10-7-11-23-14-15(19-17(22)23)20(2)18(25)21(3)16(14)24/h12-13H,4-11H2,1-3H3/t12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393184
(CHEMBL2151065)Show InChI InChI=1S/C16H23N5O2/c1-18-13-12(14(22)19(2)16(18)23)21-10-6-5-9-20(15(21)17-13)11-7-3-4-8-11/h11H,3-10H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50393189
(CHEMBL2153612)Show InChI InChI=1S/C18H27N5O2/c1-20-15-14(16(24)21(2)18(20)25)23-12-8-11-22(17(23)19-15)13-9-6-4-3-5-7-10-13/h13H,3-12H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50393167
(CHEMBL2153721)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1C2CC3OC(=O)C1C3C2 |TLB:22:24:26:19.20,21:20:24.17:26,THB:6:17:26:19.20| Show InChI InChI=1S/C19H24N4O4/c1-3-5-22-16-14(17(24)23(6-4-2)19(22)26)20-15(21-16)12-9-7-10-11(8-9)27-18(25)13(10)12/h9-13H,3-8H2,1-2H3,(H,20,21) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MRS-1754 from human recombinant adenosine A2B receptor expressed in HEK293 cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50393191
(CHEMBL2153624)Show InChI InChI=1S/C16H23N5O2/c1-18-13-12(14(22)19(2)16(18)23)21-10-6-9-20(15(21)17-13)11-7-4-3-5-8-11/h11H,3-10H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50393169
(CHEMBL2153632)Show InChI InChI=1S/C15H21N5O2/c1-17-12-11(13(21)18(2)15(17)22)20-9-8-19(14(20)16-12)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50393197
(CHEMBL2153604)Show SMILES Cn1c2nc3N(CCC4=CCCCC4)CCCCn3c2c(=O)n(C)c1=O |t:8| Show InChI InChI=1S/C19H27N5O2/c1-21-16-15(17(25)22(2)19(21)26)24-12-7-6-11-23(18(24)20-16)13-10-14-8-4-3-5-9-14/h8H,3-7,9-13H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50393190
(CHEMBL2153603)Show InChI InChI=1S/C19H29N5O2/c1-21-16-15(17(25)22(2)19(21)26)24-13-9-8-12-23(18(24)20-16)14-10-6-4-3-5-7-11-14/h14H,3-13H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393186
(CHEMBL2153608)Show SMILES CC(=O)OC1CCC(CC1)N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(3.24,-21.68,;2.66,-20.26,;3.6,-19.04,;1.14,-20.05,;.55,-18.63,;-.97,-18.42,;-1.55,-17,;-.61,-15.78,;.91,-15.98,;1.49,-17.41,;-1.21,-14.36,;-.17,-13.2,;-.43,-11.66,;-1.79,-10.9,;-3.23,-11.5,;-3.66,-13,;-2.77,-14.27,;-3.67,-15.51,;-5.13,-15.04,;-6.46,-15.8,;-6.46,-17.33,;-7.79,-15.03,;-9.12,-15.81,;-7.79,-13.5,;-9.12,-12.73,;-6.46,-12.72,;-6.46,-11.18,;-5.13,-13.5,)| Show InChI InChI=1S/C19H27N5O4/c1-12(25)28-14-8-6-13(7-9-14)23-10-4-5-11-24-15-16(20-18(23)24)21(2)19(27)22(3)17(15)26/h13-14H,4-11H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393193
(CHEMBL2153626)Show InChI InChI=1S/C14H19N5O2/c1-16-11-10(12(20)17(2)14(16)21)19-8-4-7-18(13(19)15-11)9-5-3-6-9/h9H,3-8H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393198
(CHEMBL2153719)Show InChI InChI=1S/C16H23N5O2/c1-18-13-12(14(22)19(2)16(18)23)21-9-8-20(15(21)17-13)10-11-6-4-3-5-7-11/h11H,3-10H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393170
(CHEMBL2153630)Show SMILES Cn1c2nc3N(CCC4=CCCCC4)CCn3c2c(=O)n(C)c1=O |t:8| Show InChI InChI=1S/C17H23N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-11-10-21(16(22)18-14)9-8-12-6-4-3-5-7-12/h6H,3-5,7-11H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393174
(CHEMBL2153623)Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1 |(29.41,-38.04,;29.41,-36.5,;30.74,-35.74,;32.21,-36.22,;33.11,-34.98,;34.64,-34.83,;35.28,-33.42,;34.38,-32.16,;32.84,-32.31,;32.21,-33.72,;30.74,-34.2,;29.41,-33.42,;29.41,-31.89,;28.09,-34.2,;26.75,-33.44,;28.09,-35.74,;26.75,-36.51,;35.53,-36.08,;34.89,-37.48,;35.77,-38.73,;37.3,-38.59,;38.19,-39.85,;37.95,-37.19,;37.06,-35.93,)| Show InChI InChI=1S/C16H23N5O3/c1-18-13-12(14(23)19(2)16(18)24)21-9-3-8-20(15(21)17-13)10-4-6-11(22)7-5-10/h10-11,22H,3-9H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50176050
(8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...)Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 2.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50393185
(CHEMBL2153610)Show InChI InChI=1S/C17H25N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-11-7-6-10-21(16(22)18-14)12-8-4-3-5-9-12/h12H,3-11H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50393172
(CHEMBL2153627)Show InChI InChI=1S/C14H19N5O2/c1-16-11-10(12(20)17(2)14(16)21)19-7-3-6-18(13(19)15-11)8-9-4-5-9/h9H,3-8H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50393190
(CHEMBL2153603)Show InChI InChI=1S/C19H29N5O2/c1-21-16-15(17(25)22(2)19(21)26)24-13-9-8-12-23(18(24)20-16)14-10-6-4-3-5-7-11-14/h14H,3-13H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50393170
(CHEMBL2153630)Show SMILES Cn1c2nc3N(CCC4=CCCCC4)CCn3c2c(=O)n(C)c1=O |t:8| Show InChI InChI=1S/C17H23N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-11-10-21(16(22)18-14)9-8-12-6-4-3-5-7-12/h6H,3-5,7-11H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50393177
(CHEMBL2153618)Show InChI InChI=1S/C17H25N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-10-6-9-21(16(22)18-14)11-12-7-4-3-5-8-12/h12H,3-11H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393169
(CHEMBL2153632)Show InChI InChI=1S/C15H21N5O2/c1-17-12-11(13(21)18(2)15(17)22)20-9-8-19(14(20)16-12)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393182
(CHEMBL2153613)Show InChI InChI=1S/C17H25N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-11-7-10-21(16(22)18-14)12-8-5-3-4-6-9-12/h12H,3-11H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393185
(CHEMBL2153610)Show InChI InChI=1S/C17H25N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-11-7-6-10-21(16(22)18-14)12-8-4-3-5-9-12/h12H,3-11H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393168
(CHEMBL2153720)Show InChI InChI=1S/C14H19N5O2/c1-16-11-10(12(20)17(2)14(16)21)19-8-7-18(13(19)15-11)9-5-3-4-6-9/h9H,3-8H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50393171
(CHEMBL2153631)Show SMILES Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1 |(9.82,-12.09,;9.82,-10.55,;11.15,-9.79,;12.61,-10.27,;13.51,-9.02,;14.98,-8.56,;14.99,-7.01,;13.53,-6.53,;12.61,-7.77,;11.15,-8.25,;9.82,-7.47,;9.82,-5.93,;8.49,-8.25,;7.15,-7.48,;8.49,-9.79,;7.16,-10.56,;16.31,-9.32,;16.31,-10.86,;17.63,-11.63,;18.97,-10.87,;20.3,-11.64,;18.97,-9.33,;17.64,-8.55,)| Show InChI InChI=1S/C15H21N5O3/c1-17-12-11(13(22)18(2)15(17)23)20-8-7-19(14(20)16-12)9-3-5-10(21)6-4-9/h9-10,21H,3-8H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50393187
(CHEMBL2153607)Show SMILES CC1CCC(CC1)N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(18.08,-19.63,;17.5,-18.21,;15.98,-18,;15.39,-16.59,;16.33,-15.37,;17.86,-15.56,;18.44,-16.99,;15.75,-13.95,;16.79,-12.78,;16.52,-11.25,;15.16,-10.49,;13.73,-11.09,;13.3,-12.59,;14.19,-13.86,;13.29,-15.1,;11.82,-14.62,;10.5,-15.38,;10.5,-16.92,;9.17,-14.62,;7.84,-15.39,;9.17,-13.08,;7.83,-12.32,;10.5,-12.31,;10.5,-10.77,;11.82,-13.08,)| Show InChI InChI=1S/C18H27N5O2/c1-12-6-8-13(9-7-12)22-10-4-5-11-23-14-15(19-17(22)23)20(2)18(25)21(3)16(14)24/h12-13H,4-11H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393195
(CHEMBL2153606)Show SMILES CC1CCCCC1N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 Show InChI InChI=1S/C18H27N5O2/c1-12-8-4-5-9-13(12)22-10-6-7-11-23-14-15(19-17(22)23)20(2)18(25)21(3)16(14)24/h12-13H,4-11H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393196
(CHEMBL2153605)Show InChI InChI=1S/C18H27N5O2/c1-20-15-14(16(24)21(2)18(20)25)23-11-7-6-10-22(17(23)19-15)12-13-8-4-3-5-9-13/h13H,3-12H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393174
(CHEMBL2153623)Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1 |(29.41,-38.04,;29.41,-36.5,;30.74,-35.74,;32.21,-36.22,;33.11,-34.98,;34.64,-34.83,;35.28,-33.42,;34.38,-32.16,;32.84,-32.31,;32.21,-33.72,;30.74,-34.2,;29.41,-33.42,;29.41,-31.89,;28.09,-34.2,;26.75,-33.44,;28.09,-35.74,;26.75,-36.51,;35.53,-36.08,;34.89,-37.48,;35.77,-38.73,;37.3,-38.59,;38.19,-39.85,;37.95,-37.19,;37.06,-35.93,)| Show InChI InChI=1S/C16H23N5O3/c1-18-13-12(14(23)19(2)16(18)24)21-9-3-8-20(15(21)17-13)10-4-6-11(22)7-5-10/h10-11,22H,3-9H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393194
(CHEMBL2153609)Show SMILES Cn1c2nc3N(CCCCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1 |(27.9,-2.63,;27.9,-1.1,;29.23,-.34,;30.69,-.81,;31.59,.43,;33.15,.34,;34.19,1.5,;33.92,3.04,;32.56,3.8,;31.13,3.2,;30.7,1.7,;29.23,1.2,;27.9,1.98,;27.9,3.52,;26.57,1.2,;25.24,1.97,;26.57,-.33,;25.24,-1.11,;33.73,-1.08,;32.79,-2.3,;33.37,-3.72,;34.9,-3.93,;35.48,-5.35,;35.84,-2.71,;35.25,-1.28,)| Show InChI InChI=1S/C17H25N5O3/c1-19-14-13(15(24)20(2)17(19)25)22-10-4-3-9-21(16(22)18-14)11-5-7-12(23)8-6-11/h11-12,23H,3-10H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50176050
(8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...)Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+ | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 4.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393171
(CHEMBL2153631)Show SMILES Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1 |(9.82,-12.09,;9.82,-10.55,;11.15,-9.79,;12.61,-10.27,;13.51,-9.02,;14.98,-8.56,;14.99,-7.01,;13.53,-6.53,;12.61,-7.77,;11.15,-8.25,;9.82,-7.47,;9.82,-5.93,;8.49,-8.25,;7.15,-7.48,;8.49,-9.79,;7.16,-10.56,;16.31,-9.32,;16.31,-10.86,;17.63,-11.63,;18.97,-10.87,;20.3,-11.64,;18.97,-9.33,;17.64,-8.55,)| Show InChI InChI=1S/C15H21N5O3/c1-17-12-11(13(22)18(2)15(17)23)20-8-7-19(14(20)16-12)9-3-5-10(21)6-4-9/h9-10,21H,3-8H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50393186
(CHEMBL2153608)Show SMILES CC(=O)OC1CCC(CC1)N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(3.24,-21.68,;2.66,-20.26,;3.6,-19.04,;1.14,-20.05,;.55,-18.63,;-.97,-18.42,;-1.55,-17,;-.61,-15.78,;.91,-15.98,;1.49,-17.41,;-1.21,-14.36,;-.17,-13.2,;-.43,-11.66,;-1.79,-10.9,;-3.23,-11.5,;-3.66,-13,;-2.77,-14.27,;-3.67,-15.51,;-5.13,-15.04,;-6.46,-15.8,;-6.46,-17.33,;-7.79,-15.03,;-9.12,-15.81,;-7.79,-13.5,;-9.12,-12.73,;-6.46,-12.72,;-6.46,-11.18,;-5.13,-13.5,)| Show InChI InChI=1S/C19H27N5O4/c1-12(25)28-14-8-6-13(7-9-14)23-10-4-5-11-24-15-16(20-18(23)24)21(2)19(27)22(3)17(15)26/h13-14H,4-11H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50393184
(CHEMBL2151065)Show InChI InChI=1S/C16H23N5O2/c1-18-13-12(14(22)19(2)16(18)23)21-10-6-5-9-20(15(21)17-13)11-7-3-4-8-11/h11H,3-10H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50393196
(CHEMBL2153605)Show InChI InChI=1S/C18H27N5O2/c1-20-15-14(16(24)21(2)18(20)25)23-11-7-6-10-22(17(23)19-15)12-13-8-4-3-5-9-13/h13H,3-12H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50393173
(CHEMBL2153625)Show InChI InChI=1S/C15H21N5O2/c1-17-12-11(13(21)18(2)15(17)22)20-9-5-8-19(14(20)16-12)10-6-3-4-7-10/h10H,3-9H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393175
(CHEMBL2153622)Show SMILES CC(=O)O[C@H]1CC[C@@H](CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |r,wU:7.10,wD:4.3,(21.45,-4.6,;20.56,-3.34,;21.2,-1.94,;19.03,-3.48,;18.14,-2.22,;18.78,-.82,;17.89,.44,;16.36,.29,;15.72,-1.11,;16.6,-2.36,;15.47,1.56,;16.11,2.96,;15.21,4.22,;13.67,4.08,;13.03,2.67,;13.93,1.41,;13.03,.17,;11.57,.64,;10.24,-.12,;10.24,-1.66,;8.91,.65,;7.58,-.13,;8.91,2.18,;7.57,2.95,;10.24,2.96,;10.24,4.5,;11.57,2.18,)| Show InChI InChI=1S/C18H25N5O4/c1-11(24)27-13-7-5-12(6-8-13)22-9-4-10-23-14-15(19-17(22)23)20(2)18(26)21(3)16(14)25/h12-13H,4-10H2,1-3H3/t12-,13- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393190
(CHEMBL2153603)Show InChI InChI=1S/C19H29N5O2/c1-21-16-15(17(25)22(2)19(21)26)24-13-9-8-12-23(18(24)20-16)14-10-6-4-3-5-7-11-14/h14H,3-13H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50393181
(CHEMBL2153614)Show SMILES Cn1c2nc3N(CCC4=CCCCC4)CCCn3c2c(=O)n(C)c1=O |t:8| Show InChI InChI=1S/C18H25N5O2/c1-20-15-14(16(24)21(2)18(20)25)23-11-6-10-22(17(23)19-15)12-9-13-7-4-3-5-8-13/h7H,3-6,8-12H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50393172
(CHEMBL2153627)Show InChI InChI=1S/C14H19N5O2/c1-16-11-10(12(20)17(2)14(16)21)19-7-3-6-18(13(19)15-11)8-9-4-5-9/h9H,3-8H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50393178
(CHEMBL2153617)Show SMILES CC(C1CCCCC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 Show InChI InChI=1S/C18H27N5O2/c1-12(13-8-5-4-6-9-13)22-10-7-11-23-14-15(19-17(22)23)20(2)18(25)21(3)16(14)24/h12-13H,4-11H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50393179
(CHEMBL2153616)Show SMILES C[C@H](C1CCCCC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |r| Show InChI InChI=1S/C18H27N5O2/c1-12(13-8-5-4-6-9-13)22-10-7-11-23-14-15(19-17(22)23)20(2)18(25)21(3)16(14)24/h12-13H,4-11H2,1-3H3/t12-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50393182
(CHEMBL2153613)Show InChI InChI=1S/C17H25N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-11-7-10-21(16(22)18-14)12-8-5-3-4-6-9-12/h12H,3-11H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50393169
(CHEMBL2153632)Show InChI InChI=1S/C15H21N5O2/c1-17-12-11(13(21)18(2)15(17)22)20-9-8-19(14(20)16-12)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50393174
(CHEMBL2153623)Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1 |(29.41,-38.04,;29.41,-36.5,;30.74,-35.74,;32.21,-36.22,;33.11,-34.98,;34.64,-34.83,;35.28,-33.42,;34.38,-32.16,;32.84,-32.31,;32.21,-33.72,;30.74,-34.2,;29.41,-33.42,;29.41,-31.89,;28.09,-34.2,;26.75,-33.44,;28.09,-35.74,;26.75,-36.51,;35.53,-36.08,;34.89,-37.48,;35.77,-38.73,;37.3,-38.59,;38.19,-39.85,;37.95,-37.19,;37.06,-35.93,)| Show InChI InChI=1S/C16H23N5O3/c1-18-13-12(14(23)19(2)16(18)24)21-9-3-8-20(15(21)17-13)10-4-6-11(22)7-5-10/h10-11,22H,3-9H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50393186
(CHEMBL2153608)Show SMILES CC(=O)OC1CCC(CC1)N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(3.24,-21.68,;2.66,-20.26,;3.6,-19.04,;1.14,-20.05,;.55,-18.63,;-.97,-18.42,;-1.55,-17,;-.61,-15.78,;.91,-15.98,;1.49,-17.41,;-1.21,-14.36,;-.17,-13.2,;-.43,-11.66,;-1.79,-10.9,;-3.23,-11.5,;-3.66,-13,;-2.77,-14.27,;-3.67,-15.51,;-5.13,-15.04,;-6.46,-15.8,;-6.46,-17.33,;-7.79,-15.03,;-9.12,-15.81,;-7.79,-13.5,;-9.12,-12.73,;-6.46,-12.72,;-6.46,-11.18,;-5.13,-13.5,)| Show InChI InChI=1S/C19H27N5O4/c1-12(25)28-14-8-6-13(7-9-14)23-10-4-5-11-24-15-16(20-18(23)24)21(2)19(27)22(3)17(15)26/h13-14H,4-11H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50393175
(CHEMBL2153622)Show SMILES CC(=O)O[C@H]1CC[C@@H](CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |r,wU:7.10,wD:4.3,(21.45,-4.6,;20.56,-3.34,;21.2,-1.94,;19.03,-3.48,;18.14,-2.22,;18.78,-.82,;17.89,.44,;16.36,.29,;15.72,-1.11,;16.6,-2.36,;15.47,1.56,;16.11,2.96,;15.21,4.22,;13.67,4.08,;13.03,2.67,;13.93,1.41,;13.03,.17,;11.57,.64,;10.24,-.12,;10.24,-1.66,;8.91,.65,;7.58,-.13,;8.91,2.18,;7.57,2.95,;10.24,2.96,;10.24,4.5,;11.57,2.18,)| Show InChI InChI=1S/C18H25N5O4/c1-11(24)27-13-7-5-12(6-8-13)22-9-4-10-23-14-15(19-17(22)23)20(2)18(26)21(3)16(14)25/h12-13H,4-10H2,1-3H3/t12-,13- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50393190
(CHEMBL2153603)Show InChI InChI=1S/C19H29N5O2/c1-21-16-15(17(25)22(2)19(21)26)24-13-9-8-12-23(18(24)20-16)14-10-6-4-3-5-7-11-14/h14H,3-13H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50393174
(CHEMBL2153623)Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1 |(29.41,-38.04,;29.41,-36.5,;30.74,-35.74,;32.21,-36.22,;33.11,-34.98,;34.64,-34.83,;35.28,-33.42,;34.38,-32.16,;32.84,-32.31,;32.21,-33.72,;30.74,-34.2,;29.41,-33.42,;29.41,-31.89,;28.09,-34.2,;26.75,-33.44,;28.09,-35.74,;26.75,-36.51,;35.53,-36.08,;34.89,-37.48,;35.77,-38.73,;37.3,-38.59,;38.19,-39.85,;37.95,-37.19,;37.06,-35.93,)| Show InChI InChI=1S/C16H23N5O3/c1-18-13-12(14(23)19(2)16(18)24)21-9-3-8-20(15(21)17-13)10-4-6-11(22)7-5-10/h10-11,22H,3-9H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50393171
(CHEMBL2153631)Show SMILES Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1 |(9.82,-12.09,;9.82,-10.55,;11.15,-9.79,;12.61,-10.27,;13.51,-9.02,;14.98,-8.56,;14.99,-7.01,;13.53,-6.53,;12.61,-7.77,;11.15,-8.25,;9.82,-7.47,;9.82,-5.93,;8.49,-8.25,;7.15,-7.48,;8.49,-9.79,;7.16,-10.56,;16.31,-9.32,;16.31,-10.86,;17.63,-11.63,;18.97,-10.87,;20.3,-11.64,;18.97,-9.33,;17.64,-8.55,)| Show InChI InChI=1S/C15H21N5O3/c1-17-12-11(13(22)18(2)15(17)23)20-8-7-19(14(20)16-12)9-3-5-10(21)6-4-9/h9-10,21H,3-8H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50393192
(CHEMBL2153629)Show InChI InChI=1S/C17H25N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-11-10-21(16(22)18-14)12-8-6-4-3-5-7-9-12/h12H,3-11H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50393186
(CHEMBL2153608)Show SMILES CC(=O)OC1CCC(CC1)N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(3.24,-21.68,;2.66,-20.26,;3.6,-19.04,;1.14,-20.05,;.55,-18.63,;-.97,-18.42,;-1.55,-17,;-.61,-15.78,;.91,-15.98,;1.49,-17.41,;-1.21,-14.36,;-.17,-13.2,;-.43,-11.66,;-1.79,-10.9,;-3.23,-11.5,;-3.66,-13,;-2.77,-14.27,;-3.67,-15.51,;-5.13,-15.04,;-6.46,-15.8,;-6.46,-17.33,;-7.79,-15.03,;-9.12,-15.81,;-7.79,-13.5,;-9.12,-12.73,;-6.46,-12.72,;-6.46,-11.18,;-5.13,-13.5,)| Show InChI InChI=1S/C19H27N5O4/c1-12(25)28-14-8-6-13(7-9-14)23-10-4-5-11-24-15-16(20-18(23)24)21(2)19(27)22(3)17(15)26/h13-14H,4-11H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50393169
(CHEMBL2153632)Show InChI InChI=1S/C15H21N5O2/c1-17-12-11(13(21)18(2)15(17)22)20-9-8-19(14(20)16-12)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Rattus norvegicus) | BDBM50004587
(8-Adamantan-1-yl-1,3-dipropyl-3,7-dihydro-purine-2...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC(CC(C3)C1)C2 |TLB:24:19:26:25.23.22,24:23:26:18.19.20,20:21:25:18.19.24,THB:20:19:25:26.21.22| Show InChI InChI=1S/C21H30N4O2/c1-3-5-24-17-16(18(26)25(6-4-2)20(24)27)22-19(23-17)21-10-13-7-14(11-21)9-15(8-13)12-21/h13-15H,3-12H2,1-2H3,(H,22,23) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Binding affinity to rat adenosine A3 receptor |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50393183
(CHEMBL2153611)Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C12CC3CC(CC(C3)C1)C2 |TLB:5:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23| Show InChI InChI=1S/C20H27N5O2/c1-22-16-15(17(26)23(2)19(22)27)24-4-3-5-25(18(24)21-16)20-9-12-6-13(10-20)8-14(7-12)11-20/h12-14H,3-11H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50393188
(CHEMBL2153620)Show SMILES CC1CCC(CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(38.63,-4.22,;37.75,-2.96,;36.21,-3.1,;35.33,-1.85,;35.97,-.45,;37.5,-.3,;38.39,-1.56,;35.09,.81,;35.73,2.22,;34.83,3.48,;33.29,3.33,;32.65,1.92,;33.55,.66,;32.65,-.58,;31.19,-.1,;29.86,-.86,;29.86,-2.4,;28.53,-.1,;27.2,-.87,;28.53,1.44,;27.2,2.2,;29.86,2.21,;29.86,3.75,;31.19,1.44,)| Show InChI InChI=1S/C17H25N5O2/c1-11-5-7-12(8-6-11)21-9-4-10-22-13-14(18-16(21)22)19(2)17(24)20(3)15(13)23/h11-12H,4-10H2,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50393181
(CHEMBL2153614)Show SMILES Cn1c2nc3N(CCC4=CCCCC4)CCCn3c2c(=O)n(C)c1=O |t:8| Show InChI InChI=1S/C18H25N5O2/c1-20-15-14(16(24)21(2)18(20)25)23-11-6-10-22(17(23)19-15)12-9-13-7-4-3-5-8-13/h7H,3-6,8-12H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50393169
(CHEMBL2153632)Show InChI InChI=1S/C15H21N5O2/c1-17-12-11(13(21)18(2)15(17)22)20-9-8-19(14(20)16-12)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50393182
(CHEMBL2153613)Show InChI InChI=1S/C17H25N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-11-7-10-21(16(22)18-14)12-8-5-3-4-6-9-12/h12H,3-11H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50393193
(CHEMBL2153626)Show InChI InChI=1S/C14H19N5O2/c1-16-11-10(12(20)17(2)14(16)21)19-8-4-7-18(13(19)15-11)9-5-3-6-9/h9H,3-8H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50393175
(CHEMBL2153622)Show SMILES CC(=O)O[C@H]1CC[C@@H](CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |r,wU:7.10,wD:4.3,(21.45,-4.6,;20.56,-3.34,;21.2,-1.94,;19.03,-3.48,;18.14,-2.22,;18.78,-.82,;17.89,.44,;16.36,.29,;15.72,-1.11,;16.6,-2.36,;15.47,1.56,;16.11,2.96,;15.21,4.22,;13.67,4.08,;13.03,2.67,;13.93,1.41,;13.03,.17,;11.57,.64,;10.24,-.12,;10.24,-1.66,;8.91,.65,;7.58,-.13,;8.91,2.18,;7.57,2.95,;10.24,2.96,;10.24,4.5,;11.57,2.18,)| Show InChI InChI=1S/C18H25N5O4/c1-11(24)27-13-7-5-12(6-8-13)22-9-4-10-23-14-15(19-17(22)23)20(2)18(26)21(3)16(14)25/h12-13H,4-10H2,1-3H3/t12-,13- | Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50393186
(CHEMBL2153608)Show SMILES CC(=O)OC1CCC(CC1)N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(3.24,-21.68,;2.66,-20.26,;3.6,-19.04,;1.14,-20.05,;.55,-18.63,;-.97,-18.42,;-1.55,-17,;-.61,-15.78,;.91,-15.98,;1.49,-17.41,;-1.21,-14.36,;-.17,-13.2,;-.43,-11.66,;-1.79,-10.9,;-3.23,-11.5,;-3.66,-13,;-2.77,-14.27,;-3.67,-15.51,;-5.13,-15.04,;-6.46,-15.8,;-6.46,-17.33,;-7.79,-15.03,;-9.12,-15.81,;-7.79,-13.5,;-9.12,-12.73,;-6.46,-12.72,;-6.46,-11.18,;-5.13,-13.5,)| Show InChI InChI=1S/C19H27N5O4/c1-12(25)28-14-8-6-13(7-9-14)23-10-4-5-11-24-15-16(20-18(23)24)21(2)19(27)22(3)17(15)26/h13-14H,4-11H2,1-3H3 | Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50393189
(CHEMBL2153612)Show InChI InChI=1S/C18H27N5O2/c1-20-15-14(16(24)21(2)18(20)25)23-12-8-11-22(17(23)19-15)13-9-6-4-3-5-7-10-13/h13H,3-12H2,1-2H3 | PDB
NCI pathway
Reactome pathway
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CHEMBL
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50393188
(CHEMBL2153620)Show SMILES CC1CCC(CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(38.63,-4.22,;37.75,-2.96,;36.21,-3.1,;35.33,-1.85,;35.97,-.45,;37.5,-.3,;38.39,-1.56,;35.09,.81,;35.73,2.22,;34.83,3.48,;33.29,3.33,;32.65,1.92,;33.55,.66,;32.65,-.58,;31.19,-.1,;29.86,-.86,;29.86,-2.4,;28.53,-.1,;27.2,-.87,;28.53,1.44,;27.2,2.2,;29.86,2.21,;29.86,3.75,;31.19,1.44,)| Show InChI InChI=1S/C17H25N5O2/c1-11-5-7-12(8-6-11)21-9-4-10-22-13-14(18-16(21)22)19(2)17(24)20(3)15(13)23/h11-12H,4-10H2,1-3H3 | PDB
NCI pathway
Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50393175
(CHEMBL2153622)Show SMILES CC(=O)O[C@H]1CC[C@@H](CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |r,wU:7.10,wD:4.3,(21.45,-4.6,;20.56,-3.34,;21.2,-1.94,;19.03,-3.48,;18.14,-2.22,;18.78,-.82,;17.89,.44,;16.36,.29,;15.72,-1.11,;16.6,-2.36,;15.47,1.56,;16.11,2.96,;15.21,4.22,;13.67,4.08,;13.03,2.67,;13.93,1.41,;13.03,.17,;11.57,.64,;10.24,-.12,;10.24,-1.66,;8.91,.65,;7.58,-.13,;8.91,2.18,;7.57,2.95,;10.24,2.96,;10.24,4.5,;11.57,2.18,)| Show InChI InChI=1S/C18H25N5O4/c1-11(24)27-13-7-5-12(6-8-13)22-9-4-10-23-14-15(19-17(22)23)20(2)18(26)21(3)16(14)25/h12-13H,4-10H2,1-3H3/t12-,13- | PDB
Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50393183
(CHEMBL2153611)Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C12CC3CC(CC(C3)C1)C2 |TLB:5:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23| Show InChI InChI=1S/C20H27N5O2/c1-22-16-15(17(26)23(2)19(22)27)24-4-3-5-25(18(24)21-16)20-9-12-6-13(10-20)8-14(7-12)11-20/h12-14H,3-11H2,1-2H3 | PDB
Reactome pathway
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50393192
(CHEMBL2153629)Show InChI InChI=1S/C17H25N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-11-10-21(16(22)18-14)12-8-6-4-3-5-7-9-12/h12H,3-11H2,1-2H3 | Reactome pathway
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UniChem
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50393174
(CHEMBL2153623)Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1 |(29.41,-38.04,;29.41,-36.5,;30.74,-35.74,;32.21,-36.22,;33.11,-34.98,;34.64,-34.83,;35.28,-33.42,;34.38,-32.16,;32.84,-32.31,;32.21,-33.72,;30.74,-34.2,;29.41,-33.42,;29.41,-31.89,;28.09,-34.2,;26.75,-33.44,;28.09,-35.74,;26.75,-36.51,;35.53,-36.08,;34.89,-37.48,;35.77,-38.73,;37.3,-38.59,;38.19,-39.85,;37.95,-37.19,;37.06,-35.93,)| Show InChI InChI=1S/C16H23N5O3/c1-18-13-12(14(23)19(2)16(18)24)21-9-3-8-20(15(21)17-13)10-4-6-11(22)7-5-10/h10-11,22H,3-9H2,1-2H3 | Reactome pathway
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50393189
(CHEMBL2153612)Show InChI InChI=1S/C18H27N5O2/c1-20-15-14(16(24)21(2)18(20)25)23-12-8-11-22(17(23)19-15)13-9-6-4-3-5-7-10-13/h13H,3-12H2,1-2H3 | Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50393191
(CHEMBL2153624)Show InChI InChI=1S/C16H23N5O2/c1-18-13-12(14(22)19(2)16(18)23)21-10-6-9-20(15(21)17-13)11-7-4-3-5-8-11/h11H,3-10H2,1-2H3 | PDB
NCI pathway
Reactome pathway
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| CHEMBL
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UniChem
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50393183
(CHEMBL2153611)Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C12CC3CC(CC(C3)C1)C2 |TLB:5:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23| Show InChI InChI=1S/C20H27N5O2/c1-22-16-15(17(26)23(2)19(22)27)24-4-3-5-25(18(24)21-16)20-9-12-6-13(10-20)8-14(7-12)11-20/h12-14H,3-11H2,1-2H3 | PDB
NCI pathway
Reactome pathway
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| CHEMBL
PC cid
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UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50393171
(CHEMBL2153631)Show SMILES Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1 |(9.82,-12.09,;9.82,-10.55,;11.15,-9.79,;12.61,-10.27,;13.51,-9.02,;14.98,-8.56,;14.99,-7.01,;13.53,-6.53,;12.61,-7.77,;11.15,-8.25,;9.82,-7.47,;9.82,-5.93,;8.49,-8.25,;7.15,-7.48,;8.49,-9.79,;7.16,-10.56,;16.31,-9.32,;16.31,-10.86,;17.63,-11.63,;18.97,-10.87,;20.3,-11.64,;18.97,-9.33,;17.64,-8.55,)| Show InChI InChI=1S/C15H21N5O3/c1-17-12-11(13(22)18(2)15(17)23)20-8-7-19(14(20)16-12)9-3-5-10(21)6-4-9/h9-10,21H,3-8H2,1-2H3 | PDB
Reactome pathway
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Similars
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50393188
(CHEMBL2153620)Show SMILES CC1CCC(CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(38.63,-4.22,;37.75,-2.96,;36.21,-3.1,;35.33,-1.85,;35.97,-.45,;37.5,-.3,;38.39,-1.56,;35.09,.81,;35.73,2.22,;34.83,3.48,;33.29,3.33,;32.65,1.92,;33.55,.66,;32.65,-.58,;31.19,-.1,;29.86,-.86,;29.86,-2.4,;28.53,-.1,;27.2,-.87,;28.53,1.44,;27.2,2.2,;29.86,2.21,;29.86,3.75,;31.19,1.44,)| Show InChI InChI=1S/C17H25N5O2/c1-11-5-7-12(8-6-11)21-9-4-10-22-13-14(18-16(21)22)19(2)17(24)20(3)15(13)23/h11-12H,4-10H2,1-3H3 | PDB
Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50393190
(CHEMBL2153603)Show InChI InChI=1S/C19H29N5O2/c1-21-16-15(17(25)22(2)19(21)26)24-13-9-8-12-23(18(24)20-16)14-10-6-4-3-5-7-11-14/h14H,3-13H2,1-2H3 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50393171
(CHEMBL2153631)Show SMILES Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1 |(9.82,-12.09,;9.82,-10.55,;11.15,-9.79,;12.61,-10.27,;13.51,-9.02,;14.98,-8.56,;14.99,-7.01,;13.53,-6.53,;12.61,-7.77,;11.15,-8.25,;9.82,-7.47,;9.82,-5.93,;8.49,-8.25,;7.15,-7.48,;8.49,-9.79,;7.16,-10.56,;16.31,-9.32,;16.31,-10.86,;17.63,-11.63,;18.97,-10.87,;20.3,-11.64,;18.97,-9.33,;17.64,-8.55,)| Show InChI InChI=1S/C15H21N5O3/c1-17-12-11(13(22)18(2)15(17)23)20-8-7-19(14(20)16-12)9-3-5-10(21)6-4-9/h9-10,21H,3-8H2,1-2H3 | Reactome pathway
KEGG
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50393191
(CHEMBL2153624)Show InChI InChI=1S/C16H23N5O2/c1-18-13-12(14(22)19(2)16(18)23)21-10-6-9-20(15(21)17-13)11-7-4-3-5-8-11/h11H,3-10H2,1-2H3 | Reactome pathway
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50393181
(CHEMBL2153614)Show SMILES Cn1c2nc3N(CCC4=CCCCC4)CCCn3c2c(=O)n(C)c1=O |t:8| Show InChI InChI=1S/C18H25N5O2/c1-20-15-14(16(24)21(2)18(20)25)23-11-6-10-22(17(23)19-15)12-9-13-7-4-3-5-8-13/h7H,3-6,8-12H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50393182
(CHEMBL2153613)Show InChI InChI=1S/C17H25N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-11-7-10-21(16(22)18-14)12-8-5-3-4-6-9-12/h12H,3-11H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50393189
(CHEMBL2153612)Show InChI InChI=1S/C18H27N5O2/c1-20-15-14(16(24)21(2)18(20)25)23-12-8-11-22(17(23)19-15)13-9-6-4-3-5-7-10-13/h13H,3-12H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50393183
(CHEMBL2153611)Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C12CC3CC(CC(C3)C1)C2 |TLB:5:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23| Show InChI InChI=1S/C20H27N5O2/c1-22-16-15(17(26)23(2)19(22)27)24-4-3-5-25(18(24)21-16)20-9-12-6-13(10-20)8-14(7-12)11-20/h12-14H,3-11H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393183
(CHEMBL2153611)Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C12CC3CC(CC(C3)C1)C2 |TLB:5:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23| Show InChI InChI=1S/C20H27N5O2/c1-22-16-15(17(26)23(2)19(22)27)24-4-3-5-25(18(24)21-16)20-9-12-6-13(10-20)8-14(7-12)11-20/h12-14H,3-11H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50393167
(CHEMBL2153721)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1C2CC3OC(=O)C1C3C2 |TLB:22:24:26:19.20,21:20:24.17:26,THB:6:17:26:19.20| Show InChI InChI=1S/C19H24N4O4/c1-3-5-22-16-14(17(24)23(6-4-2)19(22)26)20-15(21-16)12-9-7-10-11(8-9)27-18(25)13(10)12/h9-13H,3-8H2,1-2H3,(H,20,21) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK293 cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50393169
(CHEMBL2153632)Show InChI InChI=1S/C15H21N5O2/c1-17-12-11(13(21)18(2)15(17)22)20-9-8-19(14(20)16-12)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50393182
(CHEMBL2153613)Show InChI InChI=1S/C17H25N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-11-7-10-21(16(22)18-14)12-8-5-3-4-6-9-12/h12H,3-11H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50393175
(CHEMBL2153622)Show SMILES CC(=O)O[C@H]1CC[C@@H](CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |r,wU:7.10,wD:4.3,(21.45,-4.6,;20.56,-3.34,;21.2,-1.94,;19.03,-3.48,;18.14,-2.22,;18.78,-.82,;17.89,.44,;16.36,.29,;15.72,-1.11,;16.6,-2.36,;15.47,1.56,;16.11,2.96,;15.21,4.22,;13.67,4.08,;13.03,2.67,;13.93,1.41,;13.03,.17,;11.57,.64,;10.24,-.12,;10.24,-1.66,;8.91,.65,;7.58,-.13,;8.91,2.18,;7.57,2.95,;10.24,2.96,;10.24,4.5,;11.57,2.18,)| Show InChI InChI=1S/C18H25N5O4/c1-11(24)27-13-7-5-12(6-8-13)22-9-4-10-23-14-15(19-17(22)23)20(2)18(26)21(3)16(14)25/h12-13H,4-10H2,1-3H3/t12-,13- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50393193
(CHEMBL2153626)Show InChI InChI=1S/C14H19N5O2/c1-16-11-10(12(20)17(2)14(16)21)19-8-4-7-18(13(19)15-11)9-5-3-6-9/h9H,3-8H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50393191
(CHEMBL2153624)Show InChI InChI=1S/C16H23N5O2/c1-18-13-12(14(22)19(2)16(18)23)21-10-6-9-20(15(21)17-13)11-7-4-3-5-8-11/h11H,3-10H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50393172
(CHEMBL2153627)Show InChI InChI=1S/C14H19N5O2/c1-16-11-10(12(20)17(2)14(16)21)19-7-3-6-18(13(19)15-11)8-9-4-5-9/h9H,3-8H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50393190
(CHEMBL2153603)Show InChI InChI=1S/C19H29N5O2/c1-21-16-15(17(25)22(2)19(21)26)24-13-9-8-12-23(18(24)20-16)14-10-6-4-3-5-7-11-14/h14H,3-13H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50393174
(CHEMBL2153623)Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1 |(29.41,-38.04,;29.41,-36.5,;30.74,-35.74,;32.21,-36.22,;33.11,-34.98,;34.64,-34.83,;35.28,-33.42,;34.38,-32.16,;32.84,-32.31,;32.21,-33.72,;30.74,-34.2,;29.41,-33.42,;29.41,-31.89,;28.09,-34.2,;26.75,-33.44,;28.09,-35.74,;26.75,-36.51,;35.53,-36.08,;34.89,-37.48,;35.77,-38.73,;37.3,-38.59,;38.19,-39.85,;37.95,-37.19,;37.06,-35.93,)| Show InChI InChI=1S/C16H23N5O3/c1-18-13-12(14(23)19(2)16(18)24)21-9-3-8-20(15(21)17-13)10-4-6-11(22)7-5-10/h10-11,22H,3-9H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50393186
(CHEMBL2153608)Show SMILES CC(=O)OC1CCC(CC1)N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(3.24,-21.68,;2.66,-20.26,;3.6,-19.04,;1.14,-20.05,;.55,-18.63,;-.97,-18.42,;-1.55,-17,;-.61,-15.78,;.91,-15.98,;1.49,-17.41,;-1.21,-14.36,;-.17,-13.2,;-.43,-11.66,;-1.79,-10.9,;-3.23,-11.5,;-3.66,-13,;-2.77,-14.27,;-3.67,-15.51,;-5.13,-15.04,;-6.46,-15.8,;-6.46,-17.33,;-7.79,-15.03,;-9.12,-15.81,;-7.79,-13.5,;-9.12,-12.73,;-6.46,-12.72,;-6.46,-11.18,;-5.13,-13.5,)| Show InChI InChI=1S/C19H27N5O4/c1-12(25)28-14-8-6-13(7-9-14)23-10-4-5-11-24-15-16(20-18(23)24)21(2)19(27)22(3)17(15)26/h13-14H,4-11H2,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50393193
(CHEMBL2153626)Show InChI InChI=1S/C14H19N5O2/c1-16-11-10(12(20)17(2)14(16)21)19-8-4-7-18(13(19)15-11)9-5-3-6-9/h9H,3-8H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50393180
(CHEMBL2153615)Show SMILES C[C@@H](C1CCCCC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |r| Show InChI InChI=1S/C18H27N5O2/c1-12(13-8-5-4-6-9-13)22-10-7-11-23-14-15(19-17(22)23)20(2)18(25)21(3)16(14)24/h12-13H,4-11H2,1-3H3/t12-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.19E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50393172
(CHEMBL2153627)Show InChI InChI=1S/C14H19N5O2/c1-16-11-10(12(20)17(2)14(16)21)19-7-3-6-18(13(19)15-11)8-9-4-5-9/h9H,3-8H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50393181
(CHEMBL2153614)Show SMILES Cn1c2nc3N(CCC4=CCCCC4)CCCn3c2c(=O)n(C)c1=O |t:8| Show InChI InChI=1S/C18H25N5O2/c1-20-15-14(16(24)21(2)18(20)25)23-11-6-10-22(17(23)19-15)12-9-13-7-4-3-5-8-13/h7H,3-6,8-12H2,1-2H3 | PDB
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PubMed
| 1.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM10849
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB
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PubMed
| 1.88E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50393174
(CHEMBL2153623)Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1 |(29.41,-38.04,;29.41,-36.5,;30.74,-35.74,;32.21,-36.22,;33.11,-34.98,;34.64,-34.83,;35.28,-33.42,;34.38,-32.16,;32.84,-32.31,;32.21,-33.72,;30.74,-34.2,;29.41,-33.42,;29.41,-31.89,;28.09,-34.2,;26.75,-33.44,;28.09,-35.74,;26.75,-36.51,;35.53,-36.08,;34.89,-37.48,;35.77,-38.73,;37.3,-38.59,;38.19,-39.85,;37.95,-37.19,;37.06,-35.93,)| Show InChI InChI=1S/C16H23N5O3/c1-18-13-12(14(23)19(2)16(18)24)21-9-3-8-20(15(21)17-13)10-4-6-11(22)7-5-10/h10-11,22H,3-9H2,1-2H3 | PDB
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| 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM10849
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB
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| Article
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| 2.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50393175
(CHEMBL2153622)Show SMILES CC(=O)O[C@H]1CC[C@@H](CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |r,wU:7.10,wD:4.3,(21.45,-4.6,;20.56,-3.34,;21.2,-1.94,;19.03,-3.48,;18.14,-2.22,;18.78,-.82,;17.89,.44,;16.36,.29,;15.72,-1.11,;16.6,-2.36,;15.47,1.56,;16.11,2.96,;15.21,4.22,;13.67,4.08,;13.03,2.67,;13.93,1.41,;13.03,.17,;11.57,.64,;10.24,-.12,;10.24,-1.66,;8.91,.65,;7.58,-.13,;8.91,2.18,;7.57,2.95,;10.24,2.96,;10.24,4.5,;11.57,2.18,)| Show InChI InChI=1S/C18H25N5O4/c1-11(24)27-13-7-5-12(6-8-13)22-9-4-10-23-14-15(19-17(22)23)20(2)18(26)21(3)16(14)25/h12-13H,4-10H2,1-3H3/t12-,13- | PDB
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PubMed
| 2.19E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM10849
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB
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| DrugBank
PDB
Article
PubMed
| 2.34E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50393171
(CHEMBL2153631)Show SMILES Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1 |(9.82,-12.09,;9.82,-10.55,;11.15,-9.79,;12.61,-10.27,;13.51,-9.02,;14.98,-8.56,;14.99,-7.01,;13.53,-6.53,;12.61,-7.77,;11.15,-8.25,;9.82,-7.47,;9.82,-5.93,;8.49,-8.25,;7.15,-7.48,;8.49,-9.79,;7.16,-10.56,;16.31,-9.32,;16.31,-10.86,;17.63,-11.63,;18.97,-10.87,;20.3,-11.64,;18.97,-9.33,;17.64,-8.55,)| Show InChI InChI=1S/C15H21N5O3/c1-17-12-11(13(22)18(2)15(17)23)20-8-7-19(14(20)16-12)9-3-5-10(21)6-4-9/h9-10,21H,3-8H2,1-2H3 | PDB
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| >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50393176
(CHEMBL2153619)Show InChI InChI=1S/C17H25N5O2/c1-11-7-4-5-8-12(11)21-9-6-10-22-13-14(18-16(21)22)19(2)17(24)20(3)15(13)23/h11-12H,4-10H2,1-3H3 | PDB
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| >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50393195
(CHEMBL2153606)Show SMILES CC1CCCCC1N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 Show InChI InChI=1S/C18H27N5O2/c1-12-8-4-5-9-13(12)22-10-6-7-11-23-14-15(19-17(22)23)20(2)18(25)21(3)16(14)24/h12-13H,4-11H2,1-3H3 | PDB
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| >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50393168
(CHEMBL2153720)Show InChI InChI=1S/C14H19N5O2/c1-16-11-10(12(20)17(2)14(16)21)19-8-7-18(13(19)15-11)9-5-3-4-6-9/h9H,3-8H2,1-2H3 | PDB
Reactome pathway
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| 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50393174
(CHEMBL2153623)Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C1CCC(O)CC1 |(29.41,-38.04,;29.41,-36.5,;30.74,-35.74,;32.21,-36.22,;33.11,-34.98,;34.64,-34.83,;35.28,-33.42,;34.38,-32.16,;32.84,-32.31,;32.21,-33.72,;30.74,-34.2,;29.41,-33.42,;29.41,-31.89,;28.09,-34.2,;26.75,-33.44,;28.09,-35.74,;26.75,-36.51,;35.53,-36.08,;34.89,-37.48,;35.77,-38.73,;37.3,-38.59,;38.19,-39.85,;37.95,-37.19,;37.06,-35.93,)| Show InChI InChI=1S/C16H23N5O3/c1-18-13-12(14(23)19(2)16(18)24)21-9-3-8-20(15(21)17-13)10-4-6-11(22)7-5-10/h10-11,22H,3-9H2,1-2H3 | PDB
Reactome pathway
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UniChem
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PubMed
| >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM10849
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB
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| PDB
Article
PubMed
| 3.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM10849
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB
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Article
PubMed
| 4.49E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM10849
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | Reactome pathway
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| Article
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| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM21220
((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 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 7.05 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from rat adenosine A2A receptor |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393188
(CHEMBL2153620)Show SMILES CC1CCC(CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(38.63,-4.22,;37.75,-2.96,;36.21,-3.1,;35.33,-1.85,;35.97,-.45,;37.5,-.3,;38.39,-1.56,;35.09,.81,;35.73,2.22,;34.83,3.48,;33.29,3.33,;32.65,1.92,;33.55,.66,;32.65,-.58,;31.19,-.1,;29.86,-.86,;29.86,-2.4,;28.53,-.1,;27.2,-.87,;28.53,1.44,;27.2,2.2,;29.86,2.21,;29.86,3.75,;31.19,1.44,)| Show InChI InChI=1S/C17H25N5O2/c1-11-5-7-12(8-6-11)21-9-4-10-22-13-14(18-16(21)22)19(2)17(24)20(3)15(13)23/h11-12H,4-10H2,1-3H3 | PDB
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PubMed
| n/a | n/a | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from rat adenosine A2A receptor in presence of 100 mM NaCl |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50393188
(CHEMBL2153620)Show SMILES CC1CCC(CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(38.63,-4.22,;37.75,-2.96,;36.21,-3.1,;35.33,-1.85,;35.97,-.45,;37.5,-.3,;38.39,-1.56,;35.09,.81,;35.73,2.22,;34.83,3.48,;33.29,3.33,;32.65,1.92,;33.55,.66,;32.65,-.58,;31.19,-.1,;29.86,-.86,;29.86,-2.4,;28.53,-.1,;27.2,-.87,;28.53,1.44,;27.2,2.2,;29.86,2.21,;29.86,3.75,;31.19,1.44,)| Show InChI InChI=1S/C17H25N5O2/c1-11-5-7-12(8-6-11)21-9-4-10-22-13-14(18-16(21)22)19(2)17(24)20(3)15(13)23/h11-12H,4-10H2,1-3H3 | PDB
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PubMed
| n/a | n/a | 263 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from rat adenosine A2A receptor |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM21220
((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 | PDB
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Reactome pathway
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Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]MSX-2 from rat adenosine A2A receptor in presence of 100 mM NaCl |
Eur J Med Chem 46: 3590-607 (2011)
Article DOI: 10.1016/j.ejmech.2011.05.023
BindingDB Entry DOI: 10.7270/Q2ZC840S |
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