Found 306 hits with Last Name = 'mallo-abreu' and Initial = 'a' 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 |
|---|
D(3) dopamine receptor
(Homo sapiens) | BDBM50443101
(Cariprazine | RGH-188)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:6.5,wD:9.9,(-.77,5.69,;.57,4.92,;1.9,5.69,;.57,3.38,;-.77,2.61,;1.9,2.61,;1.9,1.07,;3.23,.3,;3.23,-1.24,;1.9,-2.01,;1.9,-3.55,;3.23,-4.32,;3.23,-5.86,;4.57,-6.63,;4.57,-8.17,;3.23,-8.94,;1.9,-8.17,;1.9,-6.63,;3.23,-10.48,;4.57,-11.25,;4.57,-12.79,;3.23,-13.56,;1.9,-12.79,;.57,-13.56,;1.9,-11.25,;.57,-10.48,;.57,-1.24,;.57,.3,)| Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17- | PDB
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| | 0.0850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50130293
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29) | PDB
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| DrugBank
| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50268107
(CHEMBL485862 | CHEMBL500634 | N-(2-(2-phenyl-6-(4-...)Show SMILES CC(=O)NCCNc1nc(nc2[nH]c(cc12)C(=O)N1CCN(CCCc2ccccc2)CC1)-c1ccccc1 Show InChI InChI=1S/C30H35N7O2/c1-22(38)31-14-15-32-28-25-21-26(33-29(25)35-27(34-28)24-12-6-3-7-13-24)30(39)37-19-17-36(18-20-37)16-8-11-23-9-4-2-5-10-23/h2-7,9-10,12-13,21H,8,11,14-20H2,1H3,(H,31,38)(H2,32,33,34,35) | PDB
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| Article
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant A2B receptor expressed in HEK293 cell membranes |
J Med Chem 62: 9315-9330 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01340
BindingDB Entry DOI: 10.7270/Q29C71VG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50268107
(CHEMBL485862 | CHEMBL500634 | N-(2-(2-phenyl-6-(4-...)Show SMILES CC(=O)NCCNc1nc(nc2[nH]c(cc12)C(=O)N1CCN(CCCc2ccccc2)CC1)-c1ccccc1 Show InChI InChI=1S/C30H35N7O2/c1-22(38)31-14-15-32-28-25-21-26(33-29(25)35-27(34-28)24-12-6-3-7-13-24)30(39)37-19-17-36(18-20-37)16-8-11-23-9-4-2-5-10-23/h2-7,9-10,12-13,21H,8,11,14-20H2,1H3,(H,31,38)(H2,32,33,34,35) | PDB
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| Article
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant A2B receptor expressed in HEK293 cell membranes |
J Med Chem 62: 9315-9330 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01340
BindingDB Entry DOI: 10.7270/Q29C71VG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50268107
(CHEMBL485862 | CHEMBL500634 | N-(2-(2-phenyl-6-(4-...)Show SMILES CC(=O)NCCNc1nc(nc2[nH]c(cc12)C(=O)N1CCN(CCCc2ccccc2)CC1)-c1ccccc1 Show InChI InChI=1S/C30H35N7O2/c1-22(38)31-14-15-32-28-25-21-26(33-29(25)35-27(34-28)24-12-6-3-7-13-24)30(39)37-19-17-36(18-20-37)16-8-11-23-9-4-2-5-10-23/h2-7,9-10,12-13,21H,8,11,14-20H2,1H3,(H,31,38)(H2,32,33,34,35) | PDB
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| Article
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human A2B receptor |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01431
BindingDB Entry DOI: 10.7270/Q2JQ14S5 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM50130293
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29) | PDB
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| | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50542172
(CHEMBL4632760)Show SMILES CC(C)OC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ncco1 |c:6| Show InChI InChI=1S/C18H18N4O3/c1-10(2)25-17(23)14-11(3)20-18-21-12-6-4-5-7-13(12)22(18)15(14)16-19-8-9-24-16/h4-10,15H,1-3H3,(H,20,21) | PDB
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| Article
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement [3H]ZM241385 from adenosine A2A receptor in human HeLa cell membranes incubated for 30 mins by scintillation counting method |
J Med Chem 63: 7721-7739 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00564
BindingDB Entry DOI: 10.7270/Q2WD444S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM21190
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) | PDB
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| PDB
Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement [3H]ZM241385 from adenosine A2A receptor in human HeLa cell membranes incubated for 30 mins by scintillation counting method |
J Med Chem 63: 7721-7739 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00564
BindingDB Entry DOI: 10.7270/Q2WD444S |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM21190
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) | PDB
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| PDB
Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM241385 from human recombinant A2A receptor expressed in human HeLa cell membranes incubated for 30 mins by radioligand binding ... |
J Med Chem 62: 9315-9330 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01340
BindingDB Entry DOI: 10.7270/Q29C71VG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM21190
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) | PDB
MMDB
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| PDB
Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM241385 from human recombinant A2A receptor expressed in human HeLa cell membranes incubated for 30 mins by radioligand binding ... |
J Med Chem 62: 9315-9330 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01340
BindingDB Entry DOI: 10.7270/Q29C71VG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM21190
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) | PDB
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| PDB
Article
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| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]ZM2421385 from adenosine A2A receptor expressed in human HeLa cell membranes incubated for 30 mins by scintillation counting meth... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01431
BindingDB Entry DOI: 10.7270/Q2JQ14S5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50159488
(CHEMBL3787197)Show SMILES CC(C)OC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccco1 |c:6| Show InChI InChI=1S/C19H19N3O3/c1-11(2)25-18(23)16-12(3)20-19-21-13-7-4-5-8-14(13)22(19)17(16)15-9-6-10-24-15/h4-11,17H,1-3H3,(H,20,21) | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human A3 receptor expressed in human HeLa cell membranes incubated for 180 mins by radioligand binding competition assa... |
J Med Chem 62: 9315-9330 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01340
BindingDB Entry DOI: 10.7270/Q29C71VG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50542171
(CHEMBL4645754)Show SMILES CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ncco1 |c:5| Show InChI InChI=1S/C17H16N4O3/c1-3-23-16(22)13-10(2)19-17-20-11-6-4-5-7-12(11)21(17)14(13)15-18-8-9-24-15/h4-9,14H,3H2,1-2H3,(H,19,20) | PDB
MMDB
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KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement [3H]ZM241385 from adenosine A2A receptor in human HeLa cell membranes incubated for 30 mins by scintillation counting method |
J Med Chem 63: 7721-7739 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00564
BindingDB Entry DOI: 10.7270/Q2WD444S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50159488
(CHEMBL3787197)Show SMILES CC(C)OC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccco1 |c:6| Show InChI InChI=1S/C19H19N3O3/c1-11(2)25-18(23)16-12(3)20-19-21-13-7-4-5-8-14(13)22(19)17(16)15-9-6-10-24-15/h4-11,17H,1-3H3,(H,20,21) | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human A3 receptor expressed in human HeLa cell membranes incubated for 180 mins by radioligand binding competition assa... |
J Med Chem 62: 9315-9330 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01340
BindingDB Entry DOI: 10.7270/Q29C71VG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50086170
((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(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
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human A2B receptor |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01431
BindingDB Entry DOI: 10.7270/Q2JQ14S5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50004589
(8-Cyclopentyl-1,3-diethyl-3,7-dihydro-purine-2,6-d...)Show InChI InChI=1S/C14H20N4O2/c1-3-17-12-10(13(19)18(4-2)14(17)20)15-11(16-12)9-7-5-6-8-9/h9H,3-8H2,1-2H3,(H,15,16) | PDB
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human recombinant A1 receptor expressed in CHOA1 cell membranes incubated for 60 mins by radioligand binding competiti... |
J Med Chem 62: 9315-9330 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01340
BindingDB Entry DOI: 10.7270/Q29C71VG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | PDB
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes incubated for 60 mins by scintillation counting method |
J Med Chem 63: 7721-7739 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00564
BindingDB Entry DOI: 10.7270/Q2WD444S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | PDB
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes incubated for 60 mins by scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01431
BindingDB Entry DOI: 10.7270/Q2JQ14S5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50004589
(8-Cyclopentyl-1,3-diethyl-3,7-dihydro-purine-2,6-d...)Show InChI InChI=1S/C14H20N4O2/c1-3-17-12-10(13(19)18(4-2)14(17)20)15-11(16-12)9-7-5-6-8-9/h9H,3-8H2,1-2H3,(H,15,16) | PDB
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human recombinant A1 receptor expressed in CHOA1 cell membranes incubated for 60 mins by radioligand binding competiti... |
J Med Chem 62: 9315-9330 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01340
BindingDB Entry DOI: 10.7270/Q29C71VG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50542173
(CHEMBL4634105)Show SMILES CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1nccs1 |c:5| Show InChI InChI=1S/C17H16N4O2S/c1-3-23-16(22)13-10(2)19-17-20-11-6-4-5-7-12(11)21(17)14(13)15-18-8-9-24-15/h4-9,14H,3H2,1-2H3,(H,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement [3H]ZM241385 from adenosine A2A receptor in human HeLa cell membranes incubated for 30 mins by scintillation counting method |
J Med Chem 63: 7721-7739 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00564
BindingDB Entry DOI: 10.7270/Q2WD444S |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM50609164
(CHEMBL5289063)Show SMILES Oc1ccc(N2CCCN(CCCCOc3ccc4ccnn4c3)CC2)c2ccc(=O)[nH]c12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50159488
(CHEMBL3787197)Show SMILES CC(C)OC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccco1 |c:6| Show InChI InChI=1S/C19H19N3O3/c1-11(2)25-18(23)16-12(3)20-19-21-13-7-4-5-8-14(13)22(19)17(16)15-9-6-10-24-15/h4-11,17H,1-3H3,(H,20,21) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cell membranes incubated for 30 mins by scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01431
BindingDB Entry DOI: 10.7270/Q2JQ14S5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50159488
(CHEMBL3787197)Show SMILES CC(C)OC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccco1 |c:6| Show InChI InChI=1S/C19H19N3O3/c1-11(2)25-18(23)16-12(3)20-19-21-13-7-4-5-8-14(13)22(19)17(16)15-9-6-10-24-15/h4-11,17H,1-3H3,(H,20,21) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human recombinant A2B receptor expressed in human HEK293 cell membranes incubated for 30 mins by radioligand binding c... |
J Med Chem 62: 9315-9330 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01340
BindingDB Entry DOI: 10.7270/Q29C71VG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50159488
(CHEMBL3787197)Show SMILES CC(C)OC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccco1 |c:6| Show InChI InChI=1S/C19H19N3O3/c1-11(2)25-18(23)16-12(3)20-19-21-13-7-4-5-8-14(13)22(19)17(16)15-9-6-10-24-15/h4-11,17H,1-3H3,(H,20,21) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method |
J Med Chem 63: 7721-7739 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00564
BindingDB Entry DOI: 10.7270/Q2WD444S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50159488
(CHEMBL3787197)Show SMILES CC(C)OC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccco1 |c:6| Show InChI InChI=1S/C19H19N3O3/c1-11(2)25-18(23)16-12(3)20-19-21-13-7-4-5-8-14(13)22(19)17(16)15-9-6-10-24-15/h4-11,17H,1-3H3,(H,20,21) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human recombinant A2B receptor expressed in human HEK293 cell membranes incubated for 30 mins by radioligand binding c... |
J Med Chem 62: 9315-9330 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01340
BindingDB Entry DOI: 10.7270/Q29C71VG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50335712
(CHEMBL1650356 | N-2,6-bis4-methoxyphenyl)pyrimidin...)Show SMILES CCC(=O)Nc1cc(nc(n1)-c1ccc(OC)cc1)-c1ccc(OC)cc1 Show InChI InChI=1S/C21H21N3O3/c1-4-20(25)23-19-13-18(14-5-9-16(26-2)10-6-14)22-21(24-19)15-7-11-17(27-3)12-8-15/h5-13H,4H2,1-3H3,(H,22,23,24,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in human HEK293 cells at 1 uM incubated for 30 mins by fluorescence polarizatio... |
Bioorg Med Chem Lett 14: 4045-50 (2004)
Article DOI: 10.1021/acsmedchemlett.1c00598
BindingDB Entry DOI: 10.7270/Q2J67MTH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50542194
(CHEMBL4644677)Show SMILES CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cocn1 |r,c:5| Show InChI InChI=1S/C17H16N4O3/c1-3-24-16(22)14-10(2)19-17-20-11-6-4-5-7-13(11)21(17)15(14)12-8-23-9-18-12/h4-9,15H,3H2,1-2H3,(H,19,20)/t15-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method |
J Med Chem 63: 7721-7739 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00564
BindingDB Entry DOI: 10.7270/Q2WD444S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50542174
(CHEMBL4632427)Show SMILES CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ncc[nH]1 |c:5| Show InChI InChI=1S/C17H17N5O2/c1-3-24-16(23)13-10(2)20-17-21-11-6-4-5-7-12(11)22(17)14(13)15-18-8-9-19-15/h4-9,14H,3H2,1-2H3,(H,18,19)(H,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement [3H]ZM241385 from adenosine A2A receptor in human HeLa cell membranes incubated for 30 mins by scintillation counting method |
J Med Chem 63: 7721-7739 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00564
BindingDB Entry DOI: 10.7270/Q2WD444S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50233089
(8-(1-(3-(trifluoromethyl)benzyl)-1H-pyrazol-4-yl)-...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C19H17F3N6O2/c1-2-6-28-17(29)14-16(26-18(28)30)25-15(24-14)12-8-23-27(10-12)9-11-4-3-5-13(7-11)19(20,21)22/h3-5,7-8,10H,2,6,9H2,1H3,(H,24,25)(H,26,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human A2B receptor |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01431
BindingDB Entry DOI: 10.7270/Q2JQ14S5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50566078
(CHEMBL4797393)Show SMILES CC(C)OC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccco1 |r,c:6| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cell membranes incubated for 30 mins by scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01431
BindingDB Entry DOI: 10.7270/Q2JQ14S5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50530603
(CHEMBL4465889)Show SMILES C[C@@H](OC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccco1)C(F)(F)F |r,c:5| Show InChI InChI=1S/C19H16F3N3O3/c1-10-15(17(26)28-11(2)19(20,21)22)16(14-8-5-9-27-14)25-13-7-4-3-6-12(13)24-18(25)23-10/h3-9,11,16H,1-2H3,(H,23,24)/t11-,16-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human recombinant A2B receptor expressed in human HEK293 cell membranes incubated for 30 mins by radioligand binding c... |
J Med Chem 62: 9315-9330 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01340
BindingDB Entry DOI: 10.7270/Q29C71VG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50530603
(CHEMBL4465889)Show SMILES C[C@@H](OC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccco1)C(F)(F)F |r,c:5| Show InChI InChI=1S/C19H16F3N3O3/c1-10-15(17(26)28-11(2)19(20,21)22)16(14-8-5-9-27-14)25-13-7-4-3-6-12(13)24-18(25)23-10/h3-9,11,16H,1-2H3,(H,23,24)/t11-,16-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human recombinant A2B receptor expressed in human HEK293 cell membranes incubated for 30 mins by radioligand binding c... |
J Med Chem 62: 9315-9330 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01340
BindingDB Entry DOI: 10.7270/Q29C71VG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50542190
(CHEMBL4637285)Show SMILES CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cocn1 |c:5| Show InChI InChI=1S/C17H16N4O3/c1-3-24-16(22)14-10(2)19-17-20-11-6-4-5-7-13(11)21(17)15(14)12-8-23-9-18-12/h4-9,15H,3H2,1-2H3,(H,19,20) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method |
J Med Chem 63: 7721-7739 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00564
BindingDB Entry DOI: 10.7270/Q2WD444S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50542167
(CHEMBL4645687)Show SMILES CC(C)OC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cn[nH]c1 |c:6| Show InChI InChI=1S/C18H19N5O2/c1-10(2)25-17(24)15-11(3)21-18-22-13-6-4-5-7-14(13)23(18)16(15)12-8-19-20-9-12/h4-10,16H,1-3H3,(H,19,20)(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes incubated for 60 mins by scintillation counting method |
J Med Chem 63: 7721-7739 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00564
BindingDB Entry DOI: 10.7270/Q2WD444S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50530596
(CHEMBL4440908)Show SMILES C[C@H](OC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccco1)C(F)(F)F |r,c:5| Show InChI InChI=1S/C19H16F3N3O3/c1-10-15(17(26)28-11(2)19(20,21)22)16(14-8-5-9-27-14)25-13-7-4-3-6-12(13)24-18(25)23-10/h3-9,11,16H,1-2H3,(H,23,24)/t11-,16+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 8.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human recombinant A2B receptor expressed in human HEK293 cell membranes incubated for 30 mins by radioligand binding c... |
J Med Chem 62: 9315-9330 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01340
BindingDB Entry DOI: 10.7270/Q29C71VG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50530596
(CHEMBL4440908)Show SMILES C[C@H](OC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccco1)C(F)(F)F |r,c:5| Show InChI InChI=1S/C19H16F3N3O3/c1-10-15(17(26)28-11(2)19(20,21)22)16(14-8-5-9-27-14)25-13-7-4-3-6-12(13)24-18(25)23-10/h3-9,11,16H,1-2H3,(H,23,24)/t11-,16+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 8.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human recombinant A2B receptor expressed in human HEK293 cell membranes incubated for 30 mins by radioligand binding c... |
J Med Chem 62: 9315-9330 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01340
BindingDB Entry DOI: 10.7270/Q29C71VG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50494466
(CHEMBL3091713)Show InChI InChI=1S/C13H16N2O3S/c1-7(2)18-12(16)10-8(3)14-13(19)15-11(10)9-5-4-6-17-9/h4-7,11H,1-3H3,(H2,14,15,19) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cell membranes incubated for 30 mins by scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01431
BindingDB Entry DOI: 10.7270/Q2JQ14S5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50530606
(CHEMBL4460214)Show SMILES CC1=C([C@@H](c2ccco2)n2c(N1)nc1ccccc21)C(=O)OCC(F)(F)F |r,t:1| Show InChI InChI=1S/C18H14F3N3O3/c1-10-14(16(25)27-9-18(19,20)21)15(13-7-4-8-26-13)24-12-6-3-2-5-11(12)23-17(24)22-10/h2-8,15H,9H2,1H3,(H,22,23)/t15-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human recombinant A2B receptor expressed in human HEK293 cell membranes incubated for 30 mins by radioligand binding c... |
J Med Chem 62: 9315-9330 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01340
BindingDB Entry DOI: 10.7270/Q29C71VG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50566077
(CHEMBL4785606)Show SMILES CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccsc1 |r,c:5| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cell membranes incubated for 30 mins by scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01431
BindingDB Entry DOI: 10.7270/Q2JQ14S5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50159492
(CHEMBL3786336)Show SMILES CC(C)OC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccoc1 |c:6| Show InChI InChI=1S/C19H19N3O3/c1-11(2)25-18(23)16-12(3)20-19-21-14-6-4-5-7-15(14)22(19)17(16)13-8-9-24-10-13/h4-11,17H,1-3H3,(H,20,21) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human recombinant A2B receptor expressed in human HEK293 cell membranes incubated for 30 mins by radioligand binding c... |
J Med Chem 62: 9315-9330 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01340
BindingDB Entry DOI: 10.7270/Q29C71VG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50159492
(CHEMBL3786336)Show SMILES CC(C)OC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccoc1 |c:6| Show InChI InChI=1S/C19H19N3O3/c1-11(2)25-18(23)16-12(3)20-19-21-14-6-4-5-7-15(14)22(19)17(16)13-8-9-24-10-13/h4-11,17H,1-3H3,(H,20,21) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method |
J Med Chem 63: 7721-7739 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00564
BindingDB Entry DOI: 10.7270/Q2WD444S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50530606
(CHEMBL4460214)Show SMILES CC1=C([C@@H](c2ccco2)n2c(N1)nc1ccccc21)C(=O)OCC(F)(F)F |r,t:1| Show InChI InChI=1S/C18H14F3N3O3/c1-10-14(16(25)27-9-18(19,20)21)15(13-7-4-8-26-13)24-12-6-3-2-5-11(12)23-17(24)22-10/h2-8,15H,9H2,1H3,(H,22,23)/t15-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human recombinant A2B receptor expressed in human HEK293 cell membranes incubated for 30 mins by radioligand binding c... |
J Med Chem 62: 9315-9330 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01340
BindingDB Entry DOI: 10.7270/Q29C71VG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50159492
(CHEMBL3786336)Show SMILES CC(C)OC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccoc1 |c:6| Show InChI InChI=1S/C19H19N3O3/c1-11(2)25-18(23)16-12(3)20-19-21-14-6-4-5-7-15(14)22(19)17(16)13-8-9-24-10-13/h4-11,17H,1-3H3,(H,20,21) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human recombinant A2B receptor expressed in human HEK293 cell membranes incubated for 30 mins by radioligand binding c... |
J Med Chem 62: 9315-9330 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01340
BindingDB Entry DOI: 10.7270/Q29C71VG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50159486
(CHEMBL3785290)Show SMILES CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccco1 |c:5| Show InChI InChI=1S/C18H17N3O3/c1-3-23-17(22)15-11(2)19-18-20-12-7-4-5-8-13(12)21(18)16(15)14-9-6-10-24-14/h4-10,16H,3H2,1-2H3,(H,19,20) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human recombinant A2B receptor expressed in human HEK293 cell membranes incubated for 30 mins by radioligand binding c... |
J Med Chem 62: 9315-9330 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01340
BindingDB Entry DOI: 10.7270/Q29C71VG |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50518031
(CHEMBL4445841)Show SMILES Cn1ccc2c(cccc12)N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1 Show InChI InChI=1S/C26H32N4O2/c1-28-13-11-22-24(28)5-4-6-25(22)30-16-14-29(15-17-30)12-2-3-18-32-21-9-7-20-8-10-26(31)27-23(20)19-21/h4-7,9,11,13,19H,2-3,8,10,12,14-18H2,1H3,(H,27,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50159486
(CHEMBL3785290)Show SMILES CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccco1 |c:5| Show InChI InChI=1S/C18H17N3O3/c1-3-23-17(22)15-11(2)19-18-20-12-7-4-5-8-13(12)21(18)16(15)14-9-6-10-24-14/h4-10,16H,3H2,1-2H3,(H,19,20) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method |
J Med Chem 63: 7721-7739 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00564
BindingDB Entry DOI: 10.7270/Q2WD444S |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50159486
(CHEMBL3785290)Show SMILES CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccco1 |c:5| Show InChI InChI=1S/C18H17N3O3/c1-3-23-17(22)15-11(2)19-18-20-12-7-4-5-8-13(12)21(18)16(15)14-9-6-10-24-14/h4-10,16H,3H2,1-2H3,(H,19,20) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human recombinant A2B receptor expressed in human HEK293 cell membranes incubated for 30 mins by radioligand binding c... |
J Med Chem 62: 9315-9330 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01340
BindingDB Entry DOI: 10.7270/Q29C71VG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50530586
(CHEMBL4585472)Show SMILES CCOC(=O)C1=C(Nc2nc3ccccc3n2[C@@H]1c1ccoc1)C(F)(F)F |r,t:5| Show InChI InChI=1S/C18H14F3N3O3/c1-2-27-16(25)13-14(10-7-8-26-9-10)24-12-6-4-3-5-11(12)22-17(24)23-15(13)18(19,20)21/h3-9,14H,2H2,1H3,(H,22,23)/t14-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human recombinant A2B receptor expressed in human HEK293 cell membranes incubated for 30 mins by radioligand binding c... |
J Med Chem 62: 9315-9330 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01340
BindingDB Entry DOI: 10.7270/Q29C71VG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50530586
(CHEMBL4585472)Show SMILES CCOC(=O)C1=C(Nc2nc3ccccc3n2[C@@H]1c1ccoc1)C(F)(F)F |r,t:5| Show InChI InChI=1S/C18H14F3N3O3/c1-2-27-16(25)13-14(10-7-8-26-9-10)24-12-6-4-3-5-11(12)22-17(24)23-15(13)18(19,20)21/h3-9,14H,2H2,1H3,(H,22,23)/t14-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human recombinant A2B receptor expressed in human HEK293 cell membranes incubated for 30 mins by radioligand binding c... |
J Med Chem 62: 9315-9330 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01340
BindingDB Entry DOI: 10.7270/Q29C71VG |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50530595
(CHEMBL4435630)Show SMILES C[C@H](OC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccco1)C(F)(F)F |r,c:5| Show InChI InChI=1S/C19H16F3N3O3/c1-10-15(17(26)28-11(2)19(20,21)22)16(14-8-5-9-27-14)25-13-7-4-3-6-12(13)24-18(25)23-10/h3-9,11,16H,1-2H3,(H,23,24)/t11-,16?/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human recombinant A2B receptor expressed in human HEK293 cell membranes incubated for 30 mins by radioligand binding c... |
J Med Chem 62: 9315-9330 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01340
BindingDB Entry DOI: 10.7270/Q29C71VG |
More data for this
Ligand-Target Pair | |
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