Found 344 hits with Last Name = 'borges' and Initial = 'e' 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
(Homo sapiens (Human)) | BDBM50416331
(CHEMBL1170167)Show SMILES CCCn1c(=O)[nH]c2cc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 Show InChI InChI=1S/C23H21BrN4O4/c1-2-11-28-22(30)21-19(27-23(28)31)12-18(26-21)14-3-9-17(10-4-14)32-13-20(29)25-16-7-5-15(24)6-8-16/h3-10,12,26H,2,11,13H2,1H3,(H,25,29)(H,27,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.74 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO-A1 cells after 60 mins |
Eur J Med Chem 45: 2884-92 (2010)
Article DOI: 10.1016/j.ejmech.2010.03.011 BindingDB Entry DOI: 10.7270/Q2T72JPT |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50416330
(CHEMBL1170166)Show SMILES CCCn1c(=O)[nH]c2cc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C23H21FN4O4/c1-2-11-28-22(30)21-19(27-23(28)31)12-18(26-21)14-3-9-17(10-4-14)32-13-20(29)25-16-7-5-15(24)6-8-16/h3-10,12,26H,2,11,13H2,1H3,(H,25,29)(H,27,31) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 30 mins |
Eur J Med Chem 45: 2884-92 (2010)
Article DOI: 10.1016/j.ejmech.2010.03.011 BindingDB Entry DOI: 10.7270/Q2T72JPT |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50414353
(CHEMBL563425)Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 Show InChI InChI=1S/C25H26BrN5O5/c1-3-30-24(33)21-23(31(25(30)34)13-4-14-35-2)29-22(28-21)16-5-11-19(12-6-16)36-15-20(32)27-18-9-7-17(26)8-10-18/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.88 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A2b receptor expressed in HEK293 cells |
Bioorg Med Chem 17: 3426-32 (2009)
Article DOI: 10.1016/j.bmc.2009.03.029 BindingDB Entry DOI: 10.7270/Q2XD12XF |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50414354
(CHEMBL551904)Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H26FN5O5/c1-3-30-24(33)21-23(31(25(30)34)13-4-14-35-2)29-22(28-21)16-5-11-19(12-6-16)36-15-20(32)27-18-9-7-17(26)8-10-18/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A2b receptor expressed in HEK293 cells |
Bioorg Med Chem 17: 3426-32 (2009)
Article DOI: 10.1016/j.bmc.2009.03.029 BindingDB Entry DOI: 10.7270/Q2XD12XF |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50414355
(CHEMBL560624)Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C25H27N5O5/c1-3-29-24(32)21-23(30(25(29)33)14-7-15-34-2)28-22(27-21)17-10-12-19(13-11-17)35-16-20(31)26-18-8-5-4-6-9-18/h4-6,8-13H,3,7,14-16H2,1-2H3,(H,26,31)(H,27,28) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A2b receptor expressed in HEK293 cells |
Bioorg Med Chem 17: 3426-32 (2009)
Article DOI: 10.1016/j.bmc.2009.03.029 BindingDB Entry DOI: 10.7270/Q2XD12XF |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50416331
(CHEMBL1170167)Show SMILES CCCn1c(=O)[nH]c2cc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 Show InChI InChI=1S/C23H21BrN4O4/c1-2-11-28-22(30)21-19(27-23(28)31)12-18(26-21)14-3-9-17(10-4-14)32-13-20(29)25-16-7-5-15(24)6-8-16/h3-10,12,26H,2,11,13H2,1H3,(H,25,29)(H,27,31) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 30 mins |
Eur J Med Chem 45: 2884-92 (2010)
Article DOI: 10.1016/j.ejmech.2010.03.011 BindingDB Entry DOI: 10.7270/Q2T72JPT |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50415167
(CHEMBL606753)Show SMILES CCn1c(=O)n(Cc2ccco2)c2nc(Cc3cccs3)n(C)c2c1=O Show InChI InChI=1S/C18H18N4O3S/c1-3-21-17(23)15-16(22(18(21)24)11-12-6-4-8-25-12)19-14(20(15)2)10-13-7-5-9-26-13/h4-9H,3,10-11H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Santiago de Compostela
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem 17: 6755-60 (2009)
Article DOI: 10.1016/j.bmc.2009.07.034 BindingDB Entry DOI: 10.7270/Q24T6KMH |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50414358
(CHEMBL557694)Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C26H26N6O5/c1-3-31-25(34)22-24(32(26(31)35)13-4-14-36-2)30-23(29-22)18-7-11-20(12-8-18)37-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A2b receptor expressed in HEK293 cells |
Bioorg Med Chem 17: 3426-32 (2009)
Article DOI: 10.1016/j.bmc.2009.03.029 BindingDB Entry DOI: 10.7270/Q2XD12XF |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50414351
(CHEMBL561364)Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C(C)=O)cc1 Show InChI InChI=1S/C27H29N5O6/c1-4-31-26(35)23-25(32(27(31)36)14-5-15-37-3)30-24(29-23)19-8-12-21(13-9-19)38-16-22(34)28-20-10-6-18(7-11-20)17(2)33/h6-13H,4-5,14-16H2,1-3H3,(H,28,34)(H,29,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 11.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A2b receptor expressed in HEK293 cells |
Bioorg Med Chem 17: 3426-32 (2009)
Article DOI: 10.1016/j.bmc.2009.03.029 BindingDB Entry DOI: 10.7270/Q2XD12XF |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50415168
(CHEMBL593217)Show SMILES CCn1c(=O)n(Cc2ccco2)c2nc(Cc3ccccc3)n(C)c2c1=O Show InChI InChI=1S/C20H20N4O3/c1-3-23-19(25)17-18(24(20(23)26)13-15-10-7-11-27-15)21-16(22(17)2)12-14-8-5-4-6-9-14/h4-11H,3,12-13H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 12.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Santiago de Compostela
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem 17: 6755-60 (2009)
Article DOI: 10.1016/j.bmc.2009.07.034 BindingDB Entry DOI: 10.7270/Q24T6KMH |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50415169
(CHEMBL594271)Show SMILES CCn1c(=O)n(Cc2ccco2)c2nc(Cc3ccco3)n(C)c2c1=O Show InChI InChI=1S/C18H18N4O4/c1-3-21-17(23)15-16(22(18(21)24)11-13-7-5-9-26-13)19-14(20(15)2)10-12-6-4-8-25-12/h4-9H,3,10-11H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 13.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Santiago de Compostela
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem 17: 6755-60 (2009)
Article DOI: 10.1016/j.bmc.2009.07.034 BindingDB Entry DOI: 10.7270/Q24T6KMH |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50415171
(CHEMBL595658)Show SMILES CCCn1c(=O)n(Cc2ccco2)c2nc(Cc3cccs3)n(C)c2c1=O Show InChI InChI=1S/C19H20N4O3S/c1-3-8-22-18(24)16-17(23(19(22)25)12-13-6-4-9-26-13)20-15(21(16)2)11-14-7-5-10-27-14/h4-7,9-10H,3,8,11-12H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 14.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Santiago de Compostela
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem 17: 6755-60 (2009)
Article DOI: 10.1016/j.bmc.2009.07.034 BindingDB Entry DOI: 10.7270/Q24T6KMH |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50414362
(CHEMBL556389)Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccccn2)cc1 Show InChI InChI=1S/C24H26N6O5/c1-3-29-23(32)20-22(30(24(29)33)13-6-14-34-2)28-21(27-20)16-8-10-17(11-9-16)35-15-19(31)26-18-7-4-5-12-25-18/h4-5,7-12H,3,6,13-15H2,1-2H3,(H,27,28)(H,25,26,31) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 15.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A2b receptor expressed in HEK293 cells |
Bioorg Med Chem 17: 3426-32 (2009)
Article DOI: 10.1016/j.bmc.2009.03.029 BindingDB Entry DOI: 10.7270/Q2XD12XF |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50414360
(CHEMBL562427)Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(O)cc2)cc1 Show InChI InChI=1S/C25H27N5O6/c1-3-29-24(33)21-23(30(25(29)34)13-4-14-35-2)28-22(27-21)16-5-11-19(12-6-16)36-15-20(32)26-17-7-9-18(31)10-8-17/h5-12,31H,3-4,13-15H2,1-2H3,(H,26,32)(H,27,28) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 15.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A2b receptor expressed in HEK293 cells |
Bioorg Med Chem 17: 3426-32 (2009)
Article DOI: 10.1016/j.bmc.2009.03.029 BindingDB Entry DOI: 10.7270/Q2XD12XF |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50415173
(CHEMBL594734)Show SMILES CCCn1c(=O)n(Cc2ccco2)c2nc(Cc3ccco3)n(C)c2c1=O Show InChI InChI=1S/C19H20N4O4/c1-3-8-22-18(24)16-17(23(19(22)25)12-14-7-5-10-27-14)20-15(21(16)2)11-13-6-4-9-26-13/h4-7,9-10H,3,8,11-12H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 19.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Santiago de Compostela
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem 17: 6755-60 (2009)
Article DOI: 10.1016/j.bmc.2009.07.034 BindingDB Entry DOI: 10.7270/Q24T6KMH |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50414357
(CHEMBL560905)Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccon2)cc1 Show InChI InChI=1S/C22H24N6O6/c1-3-27-21(30)18-20(28(22(27)31)10-4-11-32-2)25-19(24-18)14-5-7-15(8-6-14)33-13-17(29)23-16-9-12-34-26-16/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,24,25)(H,23,26,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 20.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A2b receptor expressed in HEK293 cells |
Bioorg Med Chem 17: 3426-32 (2009)
Article DOI: 10.1016/j.bmc.2009.03.029 BindingDB Entry DOI: 10.7270/Q2XD12XF |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50414354
(CHEMBL551904)Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H26FN5O5/c1-3-30-24(33)21-23(31(25(30)34)13-4-14-35-2)29-22(28-21)16-5-11-19(12-6-16)36-15-20(32)27-18-9-7-17(26)8-10-18/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 20.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Binding affinity to rat cortex adenosine A1 receptor |
Bioorg Med Chem 17: 3426-32 (2009)
Article DOI: 10.1016/j.bmc.2009.03.029 BindingDB Entry DOI: 10.7270/Q2XD12XF |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50415172
(CHEMBL594735)Show SMILES Cn1c(Cc2cccs2)nc2n(Cc3ccco3)c(=O)n(CC=C)c(=O)c12 Show InChI InChI=1S/C19H18N4O3S/c1-3-8-22-18(24)16-17(23(19(22)25)12-13-6-4-9-26-13)20-15(21(16)2)11-14-7-5-10-27-14/h3-7,9-10H,1,8,11-12H2,2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 21.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Santiago de Compostela
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem 17: 6755-60 (2009)
Article DOI: 10.1016/j.bmc.2009.07.034 BindingDB Entry DOI: 10.7270/Q24T6KMH |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50415191
(CHEMBL603209)Show SMILES Cn1c(Cc2c(F)cccc2F)nc2n(Cc3ccco3)c(=O)n(CC=C)c(=O)c12 Show InChI InChI=1S/C21H18F2N4O3/c1-3-9-26-20(28)18-19(27(21(26)29)12-13-6-5-10-30-13)24-17(25(18)2)11-14-15(22)7-4-8-16(14)23/h3-8,10H,1,9,11-12H2,2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 21.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Santiago de Compostela
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem 17: 6755-60 (2009)
Article DOI: 10.1016/j.bmc.2009.07.034 BindingDB Entry DOI: 10.7270/Q24T6KMH |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50416325
(CHEMBL1170990)Show SMILES CCCn1c2cc([nH]c2c(=O)[nH]c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 Show InChI InChI=1S/C23H21BrN4O4/c1-2-11-28-19-12-18(26-21(19)22(30)27-23(28)31)14-3-9-17(10-4-14)32-13-20(29)25-16-7-5-15(24)6-8-16/h3-10,12,26H,2,11,13H2,1H3,(H,25,29)(H,27,30,31) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 21.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 30 mins |
Eur J Med Chem 45: 2884-92 (2010)
Article DOI: 10.1016/j.ejmech.2010.03.011 BindingDB Entry DOI: 10.7270/Q2T72JPT |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50415181
(CHEMBL596346)Show SMILES CCCn1c(=O)n(Cc2ccco2)c2nc(Cc3ccccc3)n(C)c2c1=O Show InChI InChI=1S/C21H22N4O3/c1-3-11-24-20(26)18-19(25(21(24)27)14-16-10-7-12-28-16)22-17(23(18)2)13-15-8-5-4-6-9-15/h4-10,12H,3,11,13-14H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 26.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Santiago de Compostela
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX form adenosine A1 receptor in rat cortex membrane |
Bioorg Med Chem 17: 6755-60 (2009)
Article DOI: 10.1016/j.bmc.2009.07.034 BindingDB Entry DOI: 10.7270/Q24T6KMH |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50415454
(CHEMBL597559)Show SMILES CCn1c(=O)n(Cc2cccs2)c2nc(Cc3ccco3)n(C)c2c1=O Show InChI InChI=1S/C18H18N4O3S/c1-3-21-17(23)15-16(22(18(21)24)11-13-7-5-9-26-13)19-14(20(15)2)10-12-6-4-8-25-12/h4-9H,3,10-11H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 26.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Porto
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells by microplate beta scintillation counter |
Bioorg Med Chem 18: 2001-9 (2010)
Article DOI: 10.1016/j.bmc.2010.01.028 BindingDB Entry DOI: 10.7270/Q2QJ7JJ3 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50415183
(CHEMBL593572)Show SMILES COCCn1c(=O)n(Cc2ccco2)c2nc(Cc3cccs3)n(C)c2c1=O Show InChI InChI=1S/C19H20N4O4S/c1-21-15(11-14-6-4-10-28-14)20-17-16(21)18(24)22(7-9-26-2)19(25)23(17)12-13-5-3-8-27-13/h3-6,8,10H,7,9,11-12H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 27.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Santiago de Compostela
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem 17: 6755-60 (2009)
Article DOI: 10.1016/j.bmc.2009.07.034 BindingDB Entry DOI: 10.7270/Q24T6KMH |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50415168
(CHEMBL593217)Show SMILES CCn1c(=O)n(Cc2ccco2)c2nc(Cc3ccccc3)n(C)c2c1=O Show InChI InChI=1S/C20H20N4O3/c1-3-23-19(25)17-18(24(20(23)26)13-15-10-7-11-27-15)21-16(22(17)2)12-14-8-5-4-6-9-14/h4-11H,3,12-13H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 28.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Santiago de Compostela
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX form adenosine A1 receptor in rat cortex membrane |
Bioorg Med Chem 17: 6755-60 (2009)
Article DOI: 10.1016/j.bmc.2009.07.034 BindingDB Entry DOI: 10.7270/Q24T6KMH |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50416334
(CHEMBL1171380)Show SMILES CCCn1c(=O)n(C)c2cc(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)n(C)c2c1=O Show InChI InChI=1S/C25H25FN4O4/c1-4-13-30-24(32)23-21(29(3)25(30)33)14-20(28(23)2)16-5-11-19(12-6-16)34-15-22(31)27-18-9-7-17(26)8-10-18/h5-12,14H,4,13,15H2,1-3H3,(H,27,31) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 30.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 30 mins |
Eur J Med Chem 45: 2884-92 (2010)
Article DOI: 10.1016/j.ejmech.2010.03.011 BindingDB Entry DOI: 10.7270/Q2T72JPT |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50416332
(CHEMBL1172502)Show SMILES CCCn1c(=O)[nH]c2cc([nH]c2c1=O)-c1ccc(OCc2nc(no2)-c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C24H20BrN5O4/c1-2-11-30-23(31)21-19(27-24(30)32)12-18(26-21)14-5-9-17(10-6-14)33-13-20-28-22(29-34-20)15-3-7-16(25)8-4-15/h3-10,12,26H,2,11,13H2,1H3,(H,27,32) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 31.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 30 mins |
Eur J Med Chem 45: 2884-92 (2010)
Article DOI: 10.1016/j.ejmech.2010.03.011 BindingDB Entry DOI: 10.7270/Q2T72JPT |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50415170
(CHEMBL604075)Show SMILES Cn1c(Cc2ccco2)nc2n(Cc3ccco3)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H16N4O4/c1-19-13(9-11-5-3-7-24-11)18-15-14(19)16(22)20(2)17(23)21(15)10-12-6-4-8-25-12/h3-8H,9-10H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 32.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Santiago de Compostela
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem 17: 6755-60 (2009)
Article DOI: 10.1016/j.bmc.2009.07.034 BindingDB Entry DOI: 10.7270/Q24T6KMH |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50414352
(CHEMBL552304)Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2cccnc2)cc1 Show InChI InChI=1S/C24H26N6O5/c1-3-29-23(32)20-22(30(24(29)33)12-5-13-34-2)28-21(27-20)16-7-9-18(10-8-16)35-15-19(31)26-17-6-4-11-25-14-17/h4,6-11,14H,3,5,12-13,15H2,1-2H3,(H,26,31)(H,27,28) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 33.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A2b receptor expressed in HEK293 cells |
Bioorg Med Chem 17: 3426-32 (2009)
Article DOI: 10.1016/j.bmc.2009.03.029 BindingDB Entry DOI: 10.7270/Q2XD12XF |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50415455
(CHEMBL603878)Show SMILES CCn1c(=O)n(Cc2cccs2)c2nc(Cc3cccs3)n(C)c2c1=O Show InChI InChI=1S/C18H18N4O2S2/c1-3-21-17(23)15-16(22(18(21)24)11-13-7-5-9-26-13)19-14(20(15)2)10-12-6-4-8-25-12/h4-9H,3,10-11H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 35.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Porto
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells by microplate beta scintillation counter |
Bioorg Med Chem 18: 2001-9 (2010)
Article DOI: 10.1016/j.bmc.2010.01.028 BindingDB Entry DOI: 10.7270/Q2QJ7JJ3 |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50415180
(CHEMBL594963)Show SMILES Cn1c(Cc2cccs2)nc2n(Cc3ccco3)c(=O)n(CC3CC3)c(=O)c12 Show InChI InChI=1S/C20H20N4O3S/c1-22-16(10-15-5-3-9-28-15)21-18-17(22)19(25)24(11-13-6-7-13)20(26)23(18)12-14-4-2-8-27-14/h2-5,8-9,13H,6-7,10-12H2,1H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 35.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Santiago de Compostela
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem 17: 6755-60 (2009)
Article DOI: 10.1016/j.bmc.2009.07.034 BindingDB Entry DOI: 10.7270/Q24T6KMH |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50414355
(CHEMBL560624)Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C25H27N5O5/c1-3-29-24(32)21-23(30(25(29)33)14-7-15-34-2)28-22(27-21)17-10-12-19(13-11-17)35-16-20(31)26-18-8-5-4-6-9-18/h4-6,8-13H,3,7,14-16H2,1-2H3,(H,26,31)(H,27,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 36.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Binding affinity to rat cortex adenosine A1 receptor |
Bioorg Med Chem 17: 3426-32 (2009)
Article DOI: 10.1016/j.bmc.2009.03.029 BindingDB Entry DOI: 10.7270/Q2XD12XF |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50415179
(CHEMBL603861)Show SMILES COCCn1c(=O)n(Cc2ccco2)c2nc(Cc3c(F)cccc3F)n(C)c2c1=O Show InChI InChI=1S/C21H20F2N4O4/c1-25-17(11-14-15(22)6-3-7-16(14)23)24-19-18(25)20(28)26(8-10-30-2)21(29)27(19)12-13-5-4-9-31-13/h3-7,9H,8,10-12H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 38.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Santiago de Compostela
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem 17: 6755-60 (2009)
Article DOI: 10.1016/j.bmc.2009.07.034 BindingDB Entry DOI: 10.7270/Q24T6KMH |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50416333
(CHEMBL1171379)Show SMILES COc1cc(OCc2nc(no2)-c2ccc(Br)cc2)ccc1-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C24H20BrN5O5/c1-29-18-11-17(26-21(18)23(31)30(2)24(29)32)16-9-8-15(10-19(16)33-3)34-12-20-27-22(28-35-20)13-4-6-14(25)7-5-13/h4-11,26H,12H2,1-3H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 40.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 30 mins |
Eur J Med Chem 45: 2884-92 (2010)
Article DOI: 10.1016/j.ejmech.2010.03.011 BindingDB Entry DOI: 10.7270/Q2T72JPT |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50415181
(CHEMBL596346)Show SMILES CCCn1c(=O)n(Cc2ccco2)c2nc(Cc3ccccc3)n(C)c2c1=O Show InChI InChI=1S/C21H22N4O3/c1-3-11-24-20(26)18-19(25(21(24)27)14-16-10-7-12-28-16)22-17(23(18)2)13-15-8-5-4-6-9-15/h4-10,12H,3,11,13-14H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 43.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Santiago de Compostela
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem 17: 6755-60 (2009)
Article DOI: 10.1016/j.bmc.2009.07.034 BindingDB Entry DOI: 10.7270/Q24T6KMH |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50415189
(CHEMBL595657)Show SMILES Cn1c(Cc2c(F)cccc2F)nc2n(Cc3ccco3)c(=O)n(CC3CC3)c(=O)c12 Show InChI InChI=1S/C22H20F2N4O3/c1-26-18(10-15-16(23)5-2-6-17(15)24)25-20-19(26)21(29)28(11-13-7-8-13)22(30)27(20)12-14-4-3-9-31-14/h2-6,9,13H,7-8,10-12H2,1H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 46.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Santiago de Compostela
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem 17: 6755-60 (2009)
Article DOI: 10.1016/j.bmc.2009.07.034 BindingDB Entry DOI: 10.7270/Q24T6KMH |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50414356
(CHEMBL565192)Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)NN2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C28H32N6O5/c1-3-33-27(36)24-26(34(28(33)37)14-6-16-38-2)30-25(29-24)20-9-11-22(12-10-20)39-18-23(35)31-32-15-13-19-7-4-5-8-21(19)17-32/h4-5,7-12H,3,6,13-18H2,1-2H3,(H,29,30)(H,31,35) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 49.0 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A2b receptor expressed in HEK293 cells |
Bioorg Med Chem 17: 3426-32 (2009)
Article DOI: 10.1016/j.bmc.2009.03.029 BindingDB Entry DOI: 10.7270/Q2XD12XF |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50414354
(CHEMBL551904)Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H26FN5O5/c1-3-30-24(33)21-23(31(25(30)34)13-4-14-35-2)29-22(28-21)16-5-11-19(12-6-16)36-15-20(32)27-18-9-7-17(26)8-10-18/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 56.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A2a receptor expressed in human HeLa cells |
Bioorg Med Chem 17: 3426-32 (2009)
Article DOI: 10.1016/j.bmc.2009.03.029 BindingDB Entry DOI: 10.7270/Q2XD12XF |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50415185
(CHEMBL606535)Show SMILES COCCn1c(=O)n(Cc2ccco2)c2nc(Cc3ccccc3)n(C)c2c1=O Show InChI InChI=1S/C21H22N4O4/c1-23-17(13-15-7-4-3-5-8-15)22-19-18(23)20(26)24(10-12-28-2)21(27)25(19)14-16-9-6-11-29-16/h3-9,11H,10,12-14H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 61.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Santiago de Compostela
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem 17: 6755-60 (2009)
Article DOI: 10.1016/j.bmc.2009.07.034 BindingDB Entry DOI: 10.7270/Q24T6KMH |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50414368
(CHEMBL563889)Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H24N4O3/c1-3-26-22(28)19-21(27(23(26)29)14-7-15-30-2)25-20(24-19)18-12-10-17(11-13-18)16-8-5-4-6-9-16/h4-6,8-13H,3,7,14-15H2,1-2H3,(H,24,25) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 70.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A2b receptor expressed in HEK293 cells |
Bioorg Med Chem 17: 3426-32 (2009)
Article DOI: 10.1016/j.bmc.2009.03.029 BindingDB Entry DOI: 10.7270/Q2XD12XF |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50416330
(CHEMBL1170166)Show SMILES CCCn1c(=O)[nH]c2cc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C23H21FN4O4/c1-2-11-28-22(30)21-19(27-23(28)31)12-18(26-21)14-3-9-17(10-4-14)32-13-20(29)25-16-7-5-15(24)6-8-16/h3-10,12,26H,2,11,13H2,1H3,(H,25,29)(H,27,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 75.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO-A1 cells after 60 mins |
Eur J Med Chem 45: 2884-92 (2010)
Article DOI: 10.1016/j.ejmech.2010.03.011 BindingDB Entry DOI: 10.7270/Q2T72JPT |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50414363
(CHEMBL560623)Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)NC2CCCC2)cc1 Show InChI InChI=1S/C24H31N5O5/c1-3-28-23(31)20-22(29(24(28)32)13-6-14-33-2)27-21(26-20)16-9-11-18(12-10-16)34-15-19(30)25-17-7-4-5-8-17/h9-12,17H,3-8,13-15H2,1-2H3,(H,25,30)(H,26,27) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 77.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A2b receptor expressed in HEK293 cells |
Bioorg Med Chem 17: 3426-32 (2009)
Article DOI: 10.1016/j.bmc.2009.03.029 BindingDB Entry DOI: 10.7270/Q2XD12XF |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50416329
(CHEMBL1169972)Show SMILES CCCn1c2cc([nH]c2c(=O)[nH]c1=O)-c1ccc(OCC(=O)N2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C26H26N4O4/c1-2-12-30-22-14-21(27-24(22)25(32)28-26(30)33)18-7-9-20(10-8-18)34-16-23(31)29-13-11-17-5-3-4-6-19(17)15-29/h3-10,14,27H,2,11-13,15-16H2,1H3,(H,28,32,33) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 79.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 30 mins |
Eur J Med Chem 45: 2884-92 (2010)
Article DOI: 10.1016/j.ejmech.2010.03.011 BindingDB Entry DOI: 10.7270/Q2T72JPT |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50415167
(CHEMBL606753)Show SMILES CCn1c(=O)n(Cc2ccco2)c2nc(Cc3cccs3)n(C)c2c1=O Show InChI InChI=1S/C18H18N4O3S/c1-3-21-17(23)15-16(22(18(21)24)11-12-6-4-8-25-12)19-14(20(15)2)10-13-7-5-9-26-13/h4-9H,3,10-11H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 83.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Santiago de Compostela
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells by microplate beta scintillation counting |
Bioorg Med Chem 17: 6755-60 (2009)
Article DOI: 10.1016/j.bmc.2009.07.034 BindingDB Entry DOI: 10.7270/Q24T6KMH |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50414367
(CHEMBL560967)Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc[nH]1 Show InChI InChI=1S/C15H19N5O3/c1-3-19-14(21)11-13(20(15(19)22)8-5-9-23-2)18-12(17-11)10-6-4-7-16-10/h4,6-7,16H,3,5,8-9H2,1-2H3,(H,17,18) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 85.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A2b receptor expressed in HEK293 cells |
Bioorg Med Chem 17: 3426-32 (2009)
Article DOI: 10.1016/j.bmc.2009.03.029 BindingDB Entry DOI: 10.7270/Q2XD12XF |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50414355
(CHEMBL560624)Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(OCC(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C25H27N5O5/c1-3-29-24(32)21-23(30(25(29)33)14-7-15-34-2)28-22(27-21)17-10-12-19(13-11-17)35-16-20(31)26-18-8-5-4-6-9-18/h4-6,8-13H,3,7,14-16H2,1-2H3,(H,26,31)(H,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 87.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de A Coru£a
Curated by ChEMBL
| Assay Description Binding affinity to human adenosine A2a receptor expressed in human HeLa cells |
Bioorg Med Chem 17: 3426-32 (2009)
Article DOI: 10.1016/j.bmc.2009.03.029 BindingDB Entry DOI: 10.7270/Q2XD12XF |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50415184
(CHEMBL604885)Show SMILES CCSCCn1c(=O)n(Cc2ccco2)c2nc(Cc3cccs3)n(C)c2c1=O Show InChI InChI=1S/C20H22N4O3S2/c1-3-28-11-8-23-19(25)17-18(24(20(23)26)13-14-6-4-9-27-14)21-16(22(17)2)12-15-7-5-10-29-15/h4-7,9-10H,3,8,11-13H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 89.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Santiago de Compostela
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX form adenosine A1 receptor in rat cortex membrane |
Bioorg Med Chem 17: 6755-60 (2009)
Article DOI: 10.1016/j.bmc.2009.07.034 BindingDB Entry DOI: 10.7270/Q24T6KMH |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50415168
(CHEMBL593217)Show SMILES CCn1c(=O)n(Cc2ccco2)c2nc(Cc3ccccc3)n(C)c2c1=O Show InChI InChI=1S/C20H20N4O3/c1-3-23-19(25)17-18(24(20(23)26)13-15-10-7-11-27-15)21-16(22(17)2)12-14-8-5-4-6-9-14/h4-11H,3,12-13H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 89.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Santiago de Compostela
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells by microplate beta scintillation counting |
Bioorg Med Chem 17: 6755-60 (2009)
Article DOI: 10.1016/j.bmc.2009.07.034 BindingDB Entry DOI: 10.7270/Q24T6KMH |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50415184
(CHEMBL604885)Show SMILES CCSCCn1c(=O)n(Cc2ccco2)c2nc(Cc3cccs3)n(C)c2c1=O Show InChI InChI=1S/C20H22N4O3S2/c1-3-28-11-8-23-19(25)17-18(24(20(23)26)13-14-6-4-9-27-14)21-16(22(17)2)12-15-7-5-10-29-15/h4-7,9-10H,3,8,11-13H2,1-2H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 89.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Santiago de Compostela
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem 17: 6755-60 (2009)
Article DOI: 10.1016/j.bmc.2009.07.034 BindingDB Entry DOI: 10.7270/Q24T6KMH |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50415178
(CHEMBL594728)Show SMILES Fc1cccc(F)c1Cc1nc2n(Cc3ccco3)c(=O)n(CC#C)c(=O)c2[nH]1 Show InChI InChI=1S/C20H14F2N4O3/c1-2-8-25-19(27)17-18(26(20(25)28)11-12-5-4-9-29-12)24-16(23-17)10-13-14(21)6-3-7-15(13)22/h1,3-7,9H,8,10-11H2,(H,23,24) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 89.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Santiago de Compostela
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
Bioorg Med Chem 17: 6755-60 (2009)
Article DOI: 10.1016/j.bmc.2009.07.034 BindingDB Entry DOI: 10.7270/Q24T6KMH |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50415447
(CHEMBL597973)Show SMILES CCCn1c(=O)n(CCS(=O)(=O)CC)c2nc([nH]c2c1=O)-c1ccccc1 Show InChI InChI=1S/C18H22N4O4S/c1-3-10-22-17(23)14-16(20-15(19-14)13-8-6-5-7-9-13)21(18(22)24)11-12-27(25,26)4-2/h5-9H,3-4,10-12H2,1-2H3,(H,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 93.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Porto
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO cells by microplate beta scintillation counter |
Bioorg Med Chem 18: 2001-9 (2010)
Article DOI: 10.1016/j.bmc.2010.01.028 BindingDB Entry DOI: 10.7270/Q2QJ7JJ3 |
More data for this Ligand-Target Pair | |