Found 88 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 A3
(Homo sapiens (Human)) | BDBM50355170
(CHEMBL1834703)Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C24H18N8O2/c1-31-14-18-21(29-31)27-23(28-24(33)25-17-6-3-2-4-7-17)32-22(18)26-20(30-32)16-11-9-15(10-12-16)19-8-5-13-34-19/h2-14H,1H3,(H2,25,27,28,29,33) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50355171
(CHEMBL1834704)Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(cc2)-c2ccco2)cc1 Show InChI InChI=1S/C25H20N8O3/c1-32-14-19-22(30-32)28-24(29-25(34)26-17-9-11-18(35-2)12-10-17)33-23(19)27-21(31-33)16-7-5-15(6-8-16)20-4-3-13-36-20/h3-14H,1-2H3,(H2,26,28,29,30,34) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50355152
(CHEMBL1834630)Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C21H17ClN8O2/c1-29-11-16-18(27-29)25-20(26-21(31)23-14-7-9-15(32-2)10-8-14)30-19(16)24-17(28-30)12-3-5-13(22)6-4-12/h3-11H,1-2H3,(H2,23,25,26,27,31) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50355164
(CHEMBL1834622)Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H15ClN8O/c1-28-11-15-17(26-28)24-19(25-20(30)22-14-5-3-2-4-6-14)29-18(15)23-16(27-29)12-7-9-13(21)10-8-12/h2-11H,1H3,(H2,22,24,25,26,30) | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50355169
(CHEMBL1834627)Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccc(Br)cc1 Show InChI InChI=1S/C20H14BrFN8O/c1-29-10-15-17(27-29)25-19(26-20(31)23-14-8-6-13(22)7-9-14)30-18(15)24-16(28-30)11-2-4-12(21)5-3-11/h2-10H,1H3,(H2,23,25,26,27,31) | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50355150
(CHEMBL1834628)Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H14F4N8O/c1-32-10-15-17(30-32)28-19(29-20(34)26-14-8-6-13(22)7-9-14)33-18(15)27-16(31-33)11-2-4-12(5-3-11)21(23,24)25/h2-10H,1H3,(H2,26,28,29,30,34) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50355153
(CHEMBL1834694)Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C21H17BrN8O2/c1-29-11-16-18(27-29)25-20(26-21(31)23-14-7-9-15(32-2)10-8-14)30-19(16)24-17(28-30)12-3-5-13(22)6-4-12/h3-11H,1-2H3,(H2,23,25,26,27,31) | Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50355155
(CHEMBL1834696)Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C27H22N8O2/c1-34-16-22-24(32-34)30-26(31-27(36)28-20-12-14-21(37-2)15-13-20)35-25(22)29-23(33-35)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-16H,1-2H3,(H2,28,30,31,32,36) | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50355154
(CHEMBL1834695)Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C22H17F3N8O2/c1-32-11-16-18(30-32)28-20(29-21(34)26-14-7-9-15(35-2)10-8-14)33-19(16)27-17(31-33)12-3-5-13(6-4-12)22(23,24)25/h3-11H,1-2H3,(H2,26,28,29,30,34) | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50355165
(CHEMBL1834623)Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccc(Br)cc1 Show InChI InChI=1S/C20H15BrN8O/c1-28-11-15-17(26-28)24-19(25-20(30)22-14-5-3-2-4-6-14)29-18(15)23-16(27-29)12-7-9-13(21)10-8-12/h2-11H,1H3,(H2,22,24,25,26,30) | Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50355159
(CHEMBL1834700)Show SMILES O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccccc1 Show InChI InChI=1S/C28H23N7O/c36-24(18-21-12-6-2-7-13-21)29-28-31-26-23(19-34(32-26)17-16-20-10-4-1-5-11-20)27-30-25(33-35(27)28)22-14-8-3-9-15-22/h1-15,19H,16-18H2,(H,29,31,32,36) | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.02 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50355160
(CHEMBL1834701)Show SMILES Fc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1 Show InChI InChI=1S/C28H22FN7O/c29-22-13-11-21(12-14-22)25-31-27-23-18-35(16-15-19-7-3-1-4-8-19)33-26(23)32-28(36(27)34-25)30-24(37)17-20-9-5-2-6-10-20/h1-14,18H,15-17H2,(H,30,32,33,37) | Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50355166
(CHEMBL1834624)Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H15F3N8O/c1-31-11-15-17(29-31)27-19(28-20(33)25-14-5-3-2-4-6-14)32-18(15)26-16(30-32)12-7-9-13(10-8-12)21(22,23)24/h2-11H,1H3,(H2,25,27,28,29,33) | Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50355151
(CHEMBL1834629)Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C26H19FN8O/c1-34-15-21-23(32-34)30-25(31-26(36)28-20-13-11-19(27)12-14-20)35-24(21)29-22(33-35)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-15H,1H3,(H2,28,30,31,32,36) | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.06 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50355168
(CHEMBL1834626)Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H14ClFN8O/c1-29-10-15-17(27-29)25-19(26-20(31)23-14-8-6-13(22)7-9-14)30-18(15)24-16(28-30)11-2-4-12(21)5-3-11/h2-10H,1H3,(H2,23,25,26,27,31) | Reactome pathway
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50355167
(CHEMBL1834625)Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C26H20N8O/c1-33-16-21-23(31-33)29-25(30-26(35)27-20-10-6-3-7-11-20)34-24(21)28-22(32-34)19-14-12-18(13-15-19)17-8-4-2-5-9-17/h2-16H,1H3,(H2,27,29,30,31,35) | Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50343135
(CHEMBL1770311 | N-(2-(4-chlorophenyl)-8-phenethyl-...)Show SMILES Clc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1 Show InChI InChI=1S/C28H22ClN7O/c29-22-13-11-21(12-14-22)25-31-27-23-18-35(16-15-19-7-3-1-4-8-19)33-26(23)32-28(36(27)34-25)30-24(37)17-20-9-5-2-6-10-20/h1-14,18H,15-17H2,(H,30,32,33,37) | Reactome pathway
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PC sid
UniChem
Similars
| Article
PubMed
| 8.48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50355157
(CHEMBL1834698)Show SMILES Clc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)c3ccccc3)n2n1 Show InChI InChI=1S/C27H20ClN7O/c28-21-13-11-19(12-14-21)23-29-25-22-17-34(16-15-18-7-3-1-4-8-18)32-24(22)30-27(35(25)33-23)31-26(36)20-9-5-2-6-10-20/h1-14,17H,15-16H2,(H,30,31,32,36) | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50355156
(CHEMBL1834697)Show SMILES Fc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)c3ccccc3)n2n1 Show InChI InChI=1S/C27H20FN7O/c28-21-13-11-19(12-14-21)23-29-25-22-17-34(16-15-18-7-3-1-4-8-18)32-24(22)30-27(35(25)33-23)31-26(36)20-9-5-2-6-10-20/h1-14,17H,15-16H2,(H,30,31,32,36) | Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50355158
(CHEMBL1834699)Show SMILES COc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)c3ccccc3)n2n1 Show InChI InChI=1S/C28H23N7O2/c1-37-22-14-12-20(13-15-22)24-29-26-23-18-34(17-16-19-8-4-2-5-9-19)32-25(23)30-28(35(26)33-24)31-27(36)21-10-6-3-7-11-21/h2-15,18H,16-17H2,1H3,(H,30,31,32,36) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 28.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50355173
(CHEMBL1834706)Show SMILES O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C32H25N7O2/c40-28(20-23-10-5-2-6-11-23)33-32-35-30-26(21-38(36-30)18-17-22-8-3-1-4-9-22)31-34-29(37-39(31)32)25-15-13-24(14-16-25)27-12-7-19-41-27/h1-16,19,21H,17-18,20H2,(H,33,35,36,40) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50355163
(CHEMBL1834621)Show SMILES Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C19H15N7/c1-25-11-15-17(23-25)22-19(20)26-18(15)21-16(24-26)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H2,20,22,23) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 147 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50355159
(CHEMBL1834700)Show SMILES O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccccc1 Show InChI InChI=1S/C28H23N7O/c36-24(18-21-12-6-2-7-13-21)29-28-31-26-23(19-34(32-26)17-16-20-10-4-1-5-11-20)27-30-25(33-35(27)28)22-14-8-3-9-15-22/h1-15,19H,16-18H2,(H,29,31,32,36) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 192 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50355157
(CHEMBL1834698)Show SMILES Clc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)c3ccccc3)n2n1 Show InChI InChI=1S/C27H20ClN7O/c28-21-13-11-19(12-14-21)23-29-25-22-17-34(16-15-18-7-3-1-4-8-18)32-24(22)30-27(35(25)33-23)31-26(36)20-9-5-2-6-10-20/h1-14,17H,15-16H2,(H,30,31,32,36) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 221 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50355160
(CHEMBL1834701)Show SMILES Fc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1 Show InChI InChI=1S/C28H22FN7O/c29-22-13-11-21(12-14-22)25-31-27-23-18-35(16-15-19-7-3-1-4-8-19)33-26(23)32-28(36(27)34-25)30-24(37)17-20-9-5-2-6-10-20/h1-14,18H,15-17H2,(H,30,32,33,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 232 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50355172
(CHEMBL1834705)Show SMILES Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccc(cc1)-c1ccco1 Show InChI InChI=1S/C24H19N7O/c25-24-27-22-19(15-30(28-22)13-12-16-5-2-1-3-6-16)23-26-21(29-31(23)24)18-10-8-17(9-11-18)20-7-4-14-32-20/h1-11,14-15H,12-13H2,(H2,25,27,28) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50355162
(CHEMBL1834573)Show SMILES Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C14H10F3N7/c1-23-6-9-11(21-23)20-13(18)24-12(9)19-10(22-24)7-2-4-8(5-3-7)14(15,16)17/h2-6H,1H3,(H2,18,20,21) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 304 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50355156
(CHEMBL1834697)Show SMILES Fc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)c3ccccc3)n2n1 Show InChI InChI=1S/C27H20FN7O/c28-21-13-11-19(12-14-21)23-29-25-22-17-34(16-15-18-7-3-1-4-8-18)32-24(22)30-27(35(25)33-23)31-26(36)20-9-5-2-6-10-20/h1-14,17H,15-16H2,(H,30,31,32,36) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 395 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50355160
(CHEMBL1834701)Show SMILES Fc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1 Show InChI InChI=1S/C28H22FN7O/c29-22-13-11-21(12-14-22)25-31-27-23-18-35(16-15-19-7-3-1-4-8-19)33-26(23)32-28(36(27)34-25)30-24(37)17-20-9-5-2-6-10-20/h1-14,18H,15-17H2,(H,30,32,33,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 571 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine 2A receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50355159
(CHEMBL1834700)Show SMILES O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccccc1 Show InChI InChI=1S/C28H23N7O/c36-24(18-21-12-6-2-7-13-21)29-28-31-26-23(19-34(32-26)17-16-20-10-4-1-5-11-20)27-30-25(33-35(27)28)22-14-8-3-9-15-22/h1-15,19H,16-18H2,(H,29,31,32,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 614 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine 2A receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50355158
(CHEMBL1834699)Show SMILES COc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)c3ccccc3)n2n1 Show InChI InChI=1S/C28H23N7O2/c1-37-22-14-12-20(13-15-22)24-29-26-23-18-34(17-16-19-8-4-2-5-9-19)32-25(23)30-28(35(26)33-24)31-27(36)21-10-6-3-7-11-21/h2-15,18H,16-17H2,1H3,(H,30,31,32,36) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 831 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50343135
(CHEMBL1770311 | N-(2-(4-chlorophenyl)-8-phenethyl-...)Show SMILES Clc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1 Show InChI InChI=1S/C28H22ClN7O/c29-22-13-11-21(12-14-22)25-31-27-23-18-35(16-15-19-7-3-1-4-8-19)33-26(23)32-28(36(27)34-25)30-24(37)17-20-9-5-2-6-10-20/h1-14,18H,15-17H2,(H,30,32,33,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 932 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50355164
(CHEMBL1834622)Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H15ClN8O/c1-28-11-15-17(26-28)24-19(25-20(30)22-14-5-3-2-4-6-14)29-18(15)23-16(27-29)12-7-9-13(21)10-8-12/h2-11H,1H3,(H2,22,24,25,26,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 987 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine 2A receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50355168
(CHEMBL1834626)Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H14ClFN8O/c1-29-10-15-17(27-29)25-19(26-20(31)23-14-8-6-13(22)7-9-14)30-18(15)24-16(28-30)11-2-4-12(21)5-3-11/h2-10H,1H3,(H2,23,25,26,27,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine 2A receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50355152
(CHEMBL1834630)Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C21H17ClN8O2/c1-29-11-16-18(27-29)25-20(26-21(31)23-14-7-9-15(32-2)10-8-14)30-19(16)24-17(28-30)12-3-5-13(22)6-4-12/h3-11H,1-2H3,(H2,23,25,26,27,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine 2A receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50355165
(CHEMBL1834623)Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccc(Br)cc1 Show InChI InChI=1S/C20H15BrN8O/c1-28-11-15-17(26-28)24-19(25-20(30)22-14-5-3-2-4-6-14)29-18(15)23-16(27-29)12-7-9-13(21)10-8-12/h2-11H,1H3,(H2,22,24,25,26,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine 2A receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50343135
(CHEMBL1770311 | N-(2-(4-chlorophenyl)-8-phenethyl-...)Show SMILES Clc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1 Show InChI InChI=1S/C28H22ClN7O/c29-22-13-11-21(12-14-22)25-31-27-23-18-35(16-15-19-7-3-1-4-8-19)33-26(23)32-28(36(27)34-25)30-24(37)17-20-9-5-2-6-10-20/h1-14,18H,15-17H2,(H,30,32,33,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine 2A receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50355156
(CHEMBL1834697)Show SMILES Fc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)c3ccccc3)n2n1 Show InChI InChI=1S/C27H20FN7O/c28-21-13-11-19(12-14-21)23-29-25-22-17-34(16-15-18-7-3-1-4-8-18)32-24(22)30-27(35(25)33-23)31-26(36)20-9-5-2-6-10-20/h1-14,17H,15-16H2,(H,30,31,32,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine 2A receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50355150
(CHEMBL1834628)Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H14F4N8O/c1-32-10-15-17(30-32)28-19(29-20(34)26-14-8-6-13(22)7-9-14)33-18(15)27-16(31-33)11-2-4-12(5-3-11)21(23,24)25/h2-10H,1H3,(H2,26,28,29,30,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50355164
(CHEMBL1834622)Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H15ClN8O/c1-28-11-15-17(26-28)24-19(25-20(30)22-14-5-3-2-4-6-14)29-18(15)23-16(27-29)12-7-9-13(21)10-8-12/h2-11H,1H3,(H2,22,24,25,26,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50355169
(CHEMBL1834627)Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccc(Br)cc1 Show InChI InChI=1S/C20H14BrFN8O/c1-29-10-15-17(27-29)25-19(26-20(31)23-14-8-6-13(22)7-9-14)30-18(15)24-16(28-30)11-2-4-12(21)5-3-11/h2-10H,1H3,(H2,23,25,26,27,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine 2A receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50355152
(CHEMBL1834630)Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C21H17ClN8O2/c1-29-11-16-18(27-29)25-20(26-21(31)23-14-7-9-15(32-2)10-8-14)30-19(16)24-17(28-30)12-3-5-13(22)6-4-12/h3-11H,1-2H3,(H2,23,25,26,27,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50355162
(CHEMBL1834573)Show SMILES Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C14H10F3N7/c1-23-6-9-11(21-23)20-13(18)24-12(9)19-10(22-24)7-2-4-8(5-3-7)14(15,16)17/h2-6H,1H3,(H2,18,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine 2A receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50355153
(CHEMBL1834694)Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C21H17BrN8O2/c1-29-11-16-18(27-29)25-20(26-21(31)23-14-7-9-15(32-2)10-8-14)30-19(16)24-17(28-30)12-3-5-13(22)6-4-12/h3-11H,1-2H3,(H2,23,25,26,27,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine 2A receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50355153
(CHEMBL1834694)Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C21H17BrN8O2/c1-29-11-16-18(27-29)25-20(26-21(31)23-14-7-9-15(32-2)10-8-14)30-19(16)24-17(28-30)12-3-5-13(22)6-4-12/h3-11H,1-2H3,(H2,23,25,26,27,31) | 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 |
National University of Singapore
Curated by ChEMBL
| Assay Description
Antagonist activity human recombinant adenosine 2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activit... |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50355164
(CHEMBL1834622)Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H15ClN8O/c1-28-11-15-17(26-28)24-19(25-20(30)22-14-5-3-2-4-6-14)29-18(15)23-16(27-29)12-7-9-13(21)10-8-12/h2-11H,1H3,(H2,22,24,25,26,30) | 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 |
National University of Singapore
Curated by ChEMBL
| Assay Description
Antagonist activity human recombinant adenosine 2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activit... |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50355166
(CHEMBL1834624)Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H15F3N8O/c1-31-11-15-17(29-31)27-19(28-20(33)25-14-5-3-2-4-6-14)32-18(15)26-16(30-32)12-7-9-13(10-8-12)21(22,23)24/h2-11H,1H3,(H2,25,27,28,29,33) | 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 |
National University of Singapore
Curated by ChEMBL
| Assay Description
Antagonist activity human recombinant adenosine 2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activit... |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50355154
(CHEMBL1834695)Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C22H17F3N8O2/c1-32-11-16-18(30-32)28-20(29-21(34)26-14-7-9-15(35-2)10-8-14)33-19(16)27-17(31-33)12-3-5-13(6-4-12)22(23,24)25/h3-11H,1-2H3,(H2,26,28,29,30,34) | 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 |
National University of Singapore
Curated by ChEMBL
| Assay Description
Antagonist activity human recombinant adenosine 2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activit... |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50355161
(CHEMBL1834702)Show SMILES Brc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1 Show InChI InChI=1S/C28H22BrN7O/c29-22-13-11-21(12-14-22)25-31-27-23-18-35(16-15-19-7-3-1-4-8-19)33-26(23)32-28(36(27)34-25)30-24(37)17-20-9-5-2-6-10-20/h1-14,18H,15-17H2,(H,30,32,33,37) | 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 |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50355151
(CHEMBL1834629)Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C26H19FN8O/c1-34-15-21-23(32-34)30-25(31-26(36)28-20-13-11-19(27)12-14-20)35-24(21)29-22(33-35)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-15H,1H3,(H2,28,30,31,32,36) | 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 |
National University of Singapore
Curated by ChEMBL
| Assay Description
Antagonist activity human recombinant adenosine 2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activit... |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50355165
(CHEMBL1834623)Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccc(Br)cc1 Show InChI InChI=1S/C20H15BrN8O/c1-28-11-15-17(26-28)24-19(25-20(30)22-14-5-3-2-4-6-14)29-18(15)23-16(27-29)12-7-9-13(21)10-8-12/h2-11H,1H3,(H2,22,24,25,26,30) | 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 |
National University of Singapore
Curated by ChEMBL
| Assay Description
Antagonist activity human recombinant adenosine 2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activit... |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50355155
(CHEMBL1834696)Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C27H22N8O2/c1-34-16-22-24(32-34)30-26(31-27(36)28-20-12-14-21(37-2)15-13-20)35-25(22)29-23(33-35)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-16H,1-2H3,(H2,28,30,31,32,36) | 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 |
National University of Singapore
Curated by ChEMBL
| Assay Description
Antagonist activity human recombinant adenosine 2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activit... |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50355153
(CHEMBL1834694)Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C21H17BrN8O2/c1-29-11-16-18(27-29)25-20(26-21(31)23-14-7-9-15(32-2)10-8-14)30-19(16)24-17(28-30)12-3-5-13(22)6-4-12/h3-11H,1-2H3,(H2,23,25,26,27,31) | 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 |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50355168
(CHEMBL1834626)Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H14ClFN8O/c1-29-10-15-17(27-29)25-19(26-20(31)23-14-8-6-13(22)7-9-14)30-18(15)24-16(28-30)11-2-4-12(21)5-3-11/h2-10H,1H3,(H2,23,25,26,27,31) | 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 |
National University of Singapore
Curated by ChEMBL
| Assay Description
Antagonist activity human recombinant adenosine 2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activit... |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50355169
(CHEMBL1834627)Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccc(Br)cc1 Show InChI InChI=1S/C20H14BrFN8O/c1-29-10-15-17(27-29)25-19(26-20(31)23-14-8-6-13(22)7-9-14)30-18(15)24-16(28-30)11-2-4-12(21)5-3-11/h2-10H,1H3,(H2,23,25,26,27,31) | 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 |
National University of Singapore
Curated by ChEMBL
| Assay Description
Antagonist activity human recombinant adenosine 2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activit... |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50355161
(CHEMBL1834702)Show SMILES Brc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1 Show InChI InChI=1S/C28H22BrN7O/c29-22-13-11-21(12-14-22)25-31-27-23-18-35(16-15-19-7-3-1-4-8-19)33-26(23)32-28(36(27)34-25)30-24(37)17-20-9-5-2-6-10-20/h1-14,18H,15-17H2,(H,30,32,33,37) | 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 |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50355161
(CHEMBL1834702)Show SMILES Brc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1 Show InChI InChI=1S/C28H22BrN7O/c29-22-13-11-21(12-14-22)25-31-27-23-18-35(16-15-19-7-3-1-4-8-19)33-26(23)32-28(36(27)34-25)30-24(37)17-20-9-5-2-6-10-20/h1-14,18H,15-17H2,(H,30,32,33,37) | 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 |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine 2A receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50355163
(CHEMBL1834621)Show SMILES Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C19H15N7/c1-25-11-15-17(23-25)22-19(20)26-18(15)21-16(24-26)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H2,20,22,23) | 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 |
National University of Singapore
Curated by ChEMBL
| Assay Description
Antagonist activity human recombinant adenosine 2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activit... |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50355162
(CHEMBL1834573)Show SMILES Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C14H10F3N7/c1-23-6-9-11(21-23)20-13(18)24-12(9)19-10(22-24)7-2-4-8(5-3-7)14(15,16)17/h2-6H,1H3,(H2,18,20,21) | 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 |
National University of Singapore
Curated by ChEMBL
| Assay Description
Antagonist activity human recombinant adenosine 2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activit... |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50355150
(CHEMBL1834628)Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H14F4N8O/c1-32-10-15-17(30-32)28-19(29-20(34)26-14-8-6-13(22)7-9-14)33-18(15)27-16(31-33)11-2-4-12(5-3-11)21(23,24)25/h2-10H,1H3,(H2,26,28,29,30,34) | 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 |
National University of Singapore
Curated by ChEMBL
| Assay Description
Antagonist activity human recombinant adenosine 2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activit... |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50355152
(CHEMBL1834630)Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C21H17ClN8O2/c1-29-11-16-18(27-29)25-20(26-21(31)23-14-7-9-15(32-2)10-8-14)30-19(16)24-17(28-30)12-3-5-13(22)6-4-12/h3-11H,1-2H3,(H2,23,25,26,27,31) | 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 |
National University of Singapore
Curated by ChEMBL
| Assay Description
Antagonist activity human recombinant adenosine 2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activit... |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50355158
(CHEMBL1834699)Show SMILES COc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)c3ccccc3)n2n1 Show InChI InChI=1S/C28H23N7O2/c1-37-22-14-12-20(13-15-22)24-29-26-23-18-34(17-16-19-8-4-2-5-9-19)32-25(23)30-28(35(26)33-24)31-27(36)21-10-6-3-7-11-21/h2-15,18H,16-17H2,1H3,(H,30,31,32,36) | 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 |
National University of Singapore
Curated by ChEMBL
| Assay Description
Antagonist activity human recombinant adenosine 2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activit... |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50355161
(CHEMBL1834702)Show SMILES Brc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1 Show InChI InChI=1S/C28H22BrN7O/c29-22-13-11-21(12-14-22)25-31-27-23-18-35(16-15-19-7-3-1-4-8-19)33-26(23)32-28(36(27)34-25)30-24(37)17-20-9-5-2-6-10-20/h1-14,18H,15-17H2,(H,30,32,33,37) | 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 |
National University of Singapore
Curated by ChEMBL
| Assay Description
Antagonist activity human recombinant adenosine 2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activit... |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50355165
(CHEMBL1834623)Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccc(Br)cc1 Show InChI InChI=1S/C20H15BrN8O/c1-28-11-15-17(26-28)24-19(25-20(30)22-14-5-3-2-4-6-14)29-18(15)23-16(27-29)12-7-9-13(21)10-8-12/h2-11H,1H3,(H2,22,24,25,26,30) | 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 |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50355167
(CHEMBL1834625)Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C26H20N8O/c1-33-16-21-23(31-33)29-25(30-26(35)27-20-10-6-3-7-11-20)34-24(21)28-22(32-34)19-14-12-18(13-15-19)17-8-4-2-5-9-17/h2-16H,1H3,(H2,27,29,30,31,35) | 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 |
National University of Singapore
Curated by ChEMBL
| Assay Description
Antagonist activity human recombinant adenosine 2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activit... |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50355166
(CHEMBL1834624)Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H15F3N8O/c1-31-11-15-17(29-31)27-19(28-20(33)25-14-5-3-2-4-6-14)32-18(15)26-16(30-32)12-7-9-13(10-8-12)21(22,23)24/h2-11H,1H3,(H2,25,27,28,29,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.29E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50355157
(CHEMBL1834698)Show SMILES Clc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)c3ccccc3)n2n1 Show InChI InChI=1S/C27H20ClN7O/c28-21-13-11-19(12-14-21)23-29-25-22-17-34(16-15-18-7-3-1-4-8-18)32-24(22)30-27(35(25)33-23)31-26(36)20-9-5-2-6-10-20/h1-14,17H,15-16H2,(H,30,31,32,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.94E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine 2A receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50355158
(CHEMBL1834699)Show SMILES COc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)c3ccccc3)n2n1 Show InChI InChI=1S/C28H23N7O2/c1-37-22-14-12-20(13-15-22)24-29-26-23-18-34(17-16-19-8-4-2-5-9-19)32-25(23)30-28(35(26)33-24)31-27(36)21-10-6-3-7-11-21/h2-15,18H,16-17H2,1H3,(H,30,31,32,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine 2A receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50355163
(CHEMBL1834621)Show SMILES Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C19H15N7/c1-25-11-15-17(23-25)22-19(20)26-18(15)21-16(24-26)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H2,20,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine 2A receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50355169
(CHEMBL1834627)Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccc(Br)cc1 Show InChI InChI=1S/C20H14BrFN8O/c1-29-10-15-17(27-29)25-19(26-20(31)23-14-8-6-13(22)7-9-14)30-18(15)24-16(28-30)11-2-4-12(21)5-3-11/h2-10H,1H3,(H2,23,25,26,27,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50355160
(CHEMBL1834701)Show SMILES Fc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1 Show InChI InChI=1S/C28H22FN7O/c29-22-13-11-21(12-14-22)25-31-27-23-18-35(16-15-19-7-3-1-4-8-19)33-26(23)32-28(36(27)34-25)30-24(37)17-20-9-5-2-6-10-20/h1-14,18H,15-17H2,(H,30,32,33,37) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Antagonist activity human recombinant adenosine 2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activit... |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50355168
(CHEMBL1834626)Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H14ClFN8O/c1-29-10-15-17(27-29)25-19(26-20(31)23-14-8-6-13(22)7-9-14)30-18(15)24-16(28-30)11-2-4-12(21)5-3-11/h2-10H,1H3,(H2,23,25,26,27,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50343135
(CHEMBL1770311 | N-(2-(4-chlorophenyl)-8-phenethyl-...)Show SMILES Clc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)Cc3ccccc3)n2n1 Show InChI InChI=1S/C28H22ClN7O/c29-22-13-11-21(12-14-22)25-31-27-23-18-35(16-15-19-7-3-1-4-8-19)33-26(23)32-28(36(27)34-25)30-24(37)17-20-9-5-2-6-10-20/h1-14,18H,15-17H2,(H,30,32,33,37) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Antagonist activity human recombinant adenosine 2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activit... |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50355150
(CHEMBL1834628)Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H14F4N8O/c1-32-10-15-17(30-32)28-19(29-20(34)26-14-8-6-13(22)7-9-14)33-18(15)27-16(31-33)11-2-4-12(5-3-11)21(23,24)25/h2-10H,1H3,(H2,26,28,29,30,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine 2A receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50355156
(CHEMBL1834697)Show SMILES Fc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)c3ccccc3)n2n1 Show InChI InChI=1S/C27H20FN7O/c28-21-13-11-19(12-14-21)23-29-25-22-17-34(16-15-18-7-3-1-4-8-18)32-24(22)30-27(35(25)33-23)31-26(36)20-9-5-2-6-10-20/h1-14,17H,15-16H2,(H,30,31,32,36) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Antagonist activity human recombinant adenosine 2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activit... |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50355167
(CHEMBL1834625)Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C26H20N8O/c1-33-16-21-23(31-33)29-25(30-26(35)27-20-10-6-3-7-11-20)34-24(21)28-22(32-34)19-14-12-18(13-15-19)17-8-4-2-5-9-17/h2-16H,1H3,(H2,27,29,30,31,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine 2A receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50355167
(CHEMBL1834625)Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C26H20N8O/c1-33-16-21-23(31-33)29-25(30-26(35)27-20-10-6-3-7-11-20)34-24(21)28-22(32-34)19-14-12-18(13-15-19)17-8-4-2-5-9-17/h2-16H,1H3,(H2,27,29,30,31,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50355159
(CHEMBL1834700)Show SMILES O=C(Cc1ccccc1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccccc1 Show InChI InChI=1S/C28H23N7O/c36-24(18-21-12-6-2-7-13-21)29-28-31-26-23(19-34(32-26)17-16-20-10-4-1-5-11-20)27-30-25(33-35(27)28)22-14-8-3-9-15-22/h1-15,19H,16-18H2,(H,29,31,32,36) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Antagonist activity human recombinant adenosine 2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activit... |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50355157
(CHEMBL1834698)Show SMILES Clc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(NC(=O)c3ccccc3)n2n1 Show InChI InChI=1S/C27H20ClN7O/c28-21-13-11-19(12-14-21)23-29-25-22-17-34(16-15-18-7-3-1-4-8-18)32-24(22)30-27(35(25)33-23)31-26(36)20-9-5-2-6-10-20/h1-14,17H,15-16H2,(H,30,31,32,36) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Antagonist activity human recombinant adenosine 2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activit... |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50355166
(CHEMBL1834624)Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H15F3N8O/c1-31-11-15-17(29-31)27-19(28-20(33)25-14-5-3-2-4-6-14)32-18(15)26-16(30-32)12-7-9-13(10-8-12)21(22,23)24/h2-11H,1H3,(H2,25,27,28,29,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine 2A receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50355163
(CHEMBL1834621)Show SMILES Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C19H15N7/c1-25-11-15-17(23-25)22-19(20)26-18(15)21-16(24-26)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H2,20,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50355151
(CHEMBL1834629)Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C26H19FN8O/c1-34-15-21-23(32-34)30-25(31-26(36)28-20-13-11-19(27)12-14-20)35-24(21)29-22(33-35)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-15H,1H3,(H2,28,30,31,32,36) | 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+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine 2A receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50355154
(CHEMBL1834695)Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C22H17F3N8O2/c1-32-11-16-18(30-32)28-20(29-21(34)26-14-7-9-15(35-2)10-8-14)33-19(16)27-17(31-33)12-3-5-13(6-4-12)22(23,24)25/h3-11H,1-2H3,(H2,26,28,29,30,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50355155
(CHEMBL1834696)Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C27H22N8O2/c1-34-16-22-24(32-34)30-26(31-27(36)28-20-12-14-21(37-2)15-13-20)35-25(22)29-23(33-35)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-16H,1-2H3,(H2,28,30,31,32,36) | 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+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine 2A receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50355154
(CHEMBL1834695)Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C22H17F3N8O2/c1-32-11-16-18(30-32)28-20(29-21(34)26-14-7-9-15(35-2)10-8-14)33-19(16)27-17(31-33)12-3-5-13(6-4-12)22(23,24)25/h3-11H,1-2H3,(H2,26,28,29,30,34) | 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+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine 2A receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50355162
(CHEMBL1834573)Show SMILES Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C14H10F3N7/c1-23-6-9-11(21-23)20-13(18)24-12(9)19-10(22-24)7-2-4-8(5-3-7)14(15,16)17/h2-6H,1H3,(H2,18,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50355151
(CHEMBL1834629)Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C26H19FN8O/c1-34-15-21-23(32-34)30-25(31-26(36)28-20-13-11-19(27)12-14-20)35-24(21)29-22(33-35)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-15H,1H3,(H2,28,30,31,32,36) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50355155
(CHEMBL1834696)Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C27H22N8O2/c1-34-16-22-24(32-34)30-26(31-27(36)28-20-12-14-21(37-2)15-13-20)35-25(22)29-23(33-35)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-16H,1-2H3,(H2,28,30,31,32,36) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 3 hrs |
Bioorg Med Chem 19: 6120-34 (2011)
Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG |
More data for this
Ligand-Target Pair | |
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