Found 43 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 A2b
(Homo sapiens (Human)) | BDBM50159502
(CHEMBL3786849)Show SMILES CC(=O)NCCNc1nc(nc2nc([nH]c12)C(=O)N1CCN(CCCc2ccccc2)CC1)-c1ccccc1 Show InChI InChI=1S/C29H34N8O2/c1-21(38)30-14-15-31-26-24-27(34-25(33-26)23-12-6-3-7-13-23)35-28(32-24)29(39)37-19-17-36(18-20-37)16-8-11-22-9-4-2-5-10-22/h2-7,9-10,12-13H,8,11,14-20H2,1H3,(H,30,38)(H2,31,32,33,34,35) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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
Displacement of [3H]OSIP339391 from human recombinant Adenosine A2B receptor expressed in HEK293 cells after 60 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| 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 Adenosine A2A receptor expressed in HeLa cells after 30 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
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Similars
| 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 of [125I]IABOPX from human recombinant Adenosine A2B receptor expressed in HEK293 cells after 3 hrs |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
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
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
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 Adenosine A1 receptor expressed in CHO cells after 60 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
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
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CHEMBL
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PC sid
UniChem
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| 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 Adenosine A2B receptor expressed in HEK293 cells after 30 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50229885
(CHEMBL260331 | CHEMBL506685 | N-(benzo[d][1,3]diox...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)nn1C Show InChI InChI=1S/C24H27N7O6/c1-4-8-30-22-20(23(33)31(9-5-2)24(30)34)26-21(27-22)15-11-19(28-29(15)3)35-12-18(32)25-14-6-7-16-17(10-14)37-13-36-16/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,25,32)(H,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.5 | 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 Adenosine A2B receptor expressed in HEK293 cells after 60 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50233086
(8-(1-((5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl)met...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(Cc2noc(n2)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C20H17ClN8O3/c1-2-7-29-19(30)15-17(26-20(29)31)25-16(24-15)12-8-22-28(9-12)10-14-23-18(32-27-14)11-3-5-13(21)6-4-11/h3-6,8-9H,2,7,10H2,1H3,(H,24,25)(H,26,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7 | 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-ZM214385 from human Adenosine A2B receptor expressed in HEK293 cells after 90 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
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 Adenosine A2B receptor expressed in HEK293 cells after 30 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
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 Adenosine A2B receptor expressed in HEK293 cells after 30 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50133368
(CHEMBL335950 | N-(2-(furan-2-yl)-8-(3-phenylpropyl...)Show SMILES O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C31H25N7O2/c39-27(19-23-14-6-13-22-12-4-5-15-24(22)23)32-31-34-28-25(30-33-29(36-38(30)31)26-16-8-18-40-26)20-37(35-28)17-7-11-21-9-2-1-3-10-21/h1-6,8-10,12-16,18,20H,7,11,17,19H2,(H,32,34,35,39) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 Adenosine A2B receptor expressed in HEK293 cells after 60 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50159493
(CHEMBL3785582)Show SMILES CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccoc1 |c:5| Show InChI InChI=1S/C18H17N3O3/c1-3-24-17(22)15-11(2)19-18-20-13-6-4-5-7-14(13)21(18)16(15)12-8-9-23-10-12/h4-10,16H,3H2,1-2H3,(H,19,20) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 21 | 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 Adenosine A2B receptor expressed in HEK293 cells after 30 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50159479
(CHEMBL1566489)Show InChI InChI=1S/C12H14N2O3S/c1-3-17-11(15)9-7(2)13-12(16)14-10(9)8-4-5-18-6-8/h4-6,10H,3H2,1-2H3,(H2,13,14,16) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 24 | 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 Adenosine A2B receptor expressed in HEK293 cells after 30 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50159497
(CHEMBL3787034)Show SMILES CC(C)OC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccsc1 |c:6| Show InChI InChI=1S/C19H19N3O2S/c1-11(2)24-18(23)16-12(3)20-19-21-14-6-4-5-7-15(14)22(19)17(16)13-8-9-25-10-13/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
| 29 | 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 Adenosine A2B receptor expressed in HEK293 cells after 30 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50159499
(CHEMBL3785618)Show SMILES CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccsc1 |c:5| Show InChI InChI=1S/C18H17N3O2S/c1-3-23-17(22)15-11(2)19-18-20-13-6-4-5-7-14(13)21(18)16(15)12-8-9-24-10-12/h4-10,16H,3H2,1-2H3,(H,19,20) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells after 30 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50159480
(CHEMBL1544856)Show InChI InChI=1S/C12H14N2O4/c1-3-18-11(15)9-7(2)13-12(16)14-10(9)8-4-5-17-6-8/h4-6,10H,3H2,1-2H3,(H2,13,14,16) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 40 | 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 Adenosine A2B receptor expressed in HEK293 cells after 30 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50159491
(CHEMBL1490082)Show InChI InChI=1S/C13H16N2O4/c1-7(2)19-12(16)10-8(3)14-13(17)15-11(10)9-5-4-6-18-9/h4-7,11H,1-3H3,(H2,14,15,17) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 41 | 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 Adenosine A2B receptor expressed in HEK293 cells after 30 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50042209
(4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...)Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O Show InChI InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
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| Article
PubMed
| 53 | 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 Adenosine A2B receptor |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50159482
(CHEMBL3786944)Show InChI InChI=1S/C14H16N4O3/c1-8(2)21-13(19)11-9(3)17-14-15-7-16-18(14)12(11)10-5-4-6-20-10/h4-8,12H,1-3H3,(H,15,16,17) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 56 | 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 Adenosine A2B receptor expressed in HEK293 cells after 30 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50159233
(CHEMBL3091704)Show InChI InChI=1S/C13H16N2O3S/c1-7(2)18-12(16)10-8(3)14-13(17)15-11(10)9-4-5-19-6-9/h4-7,11H,1-3H3,(H2,14,15,17) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 57 | 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 Adenosine A2B receptor expressed in HEK293 cells after 30 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(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
NCI pathway
Reactome pathway
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| Article
PubMed
| 66 | 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 Adenosine A2B receptor expressed in HEK293 cells after 30 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(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
NCI pathway
Reactome pathway
KEGG
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PubMed
| 73 | 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 Adenosine A2B receptor expressed in HEK293 cells after 30 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50159496
(CHEMBL3785381)Show InChI InChI=1S/C15H17N3O3/c1-9(2)21-14(19)12-10(3)17-15-16-6-7-18(15)13(12)11-5-4-8-20-11/h4-9,13H,1-3H3,(H,16,17) | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 86 | 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 Adenosine A2B receptor expressed in HEK293 cells after 30 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50159498
(CHEMBL3786936)Show InChI InChI=1S/C14H15N3O3/c1-3-19-13(18)11-9(2)16-14-15-6-7-17(14)12(11)10-5-4-8-20-10/h4-8,12H,3H2,1-2H3,(H,15,16) | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 108 | 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 Adenosine A2B receptor expressed in HEK293 cells after 30 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(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
MMDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
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| Article
PubMed
| 157 | 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 Adenosine A2A receptor expressed in HeLa cells after 30 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50159500
(CHEMBL3785215)Show InChI InChI=1S/C15H17N3O3/c1-9(2)21-14(19)12-10(3)17-15-16-5-6-18(15)13(12)11-4-7-20-8-11/h4-9,13H,1-3H3,(H,16,17) | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 277 | 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 Adenosine A2B receptor expressed in HEK293 cells after 30 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50159484
(CHEMBL3785325)Show InChI InChI=1S/C14H16N4O3/c1-8(2)21-13(19)11-9(3)17-14-15-7-16-18(14)12(11)10-4-5-20-6-10/h4-8,12H,1-3H3,(H,15,16,17) | PDB
NCI pathway
Reactome pathway
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| Article
PubMed
| 351 | 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 Adenosine A2B receptor expressed in HEK293 cells after 30 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50159494
(CHEMBL3785353)Show SMILES CC(C)OC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cccs1 |c:6| Show InChI InChI=1S/C19H19N3O2S/c1-11(2)24-18(23)16-12(3)20-19-21-13-7-4-5-8-14(13)22(19)17(16)15-9-6-10-25-15/h4-11,17H,1-3H3,(H,20,21) | PDB
NCI pathway
Reactome pathway
KEGG
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PubMed
| 371 | 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 Adenosine A2B receptor expressed in HEK293 cells after 30 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50159495
(CHEMBL3785635)Show SMILES CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cccs1 |c:5| Show InChI InChI=1S/C18H17N3O2S/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
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| Article
PubMed
| 485 | 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 Adenosine A2B receptor expressed in HEK293 cells after 30 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50159489
(CHEMBL1606497)Show InChI InChI=1S/C12H14N2O4/c1-3-17-11(15)9-7(2)13-12(16)14-10(9)8-5-4-6-18-8/h4-6,10H,3H2,1-2H3,(H2,13,14,16) | PDB
NCI pathway
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PubMed
| 586 | 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 Adenosine A2B receptor expressed in HEK293 cells after 30 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50159481
(CHEMBL3787123)Show InChI InChI=1S/C13H14N4O3/c1-3-20-12(18)10-8(2)16-13-14-7-15-17(13)11(10)9-4-5-19-6-9/h4-7,11H,3H2,1-2H3,(H,14,15,16) | PDB
NCI pathway
Reactome pathway
KEGG
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| Article
PubMed
| 602 | 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 Adenosine A2B receptor expressed in HEK293 cells after 30 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(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
Reactome pathway
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| Article
PubMed
| 683 | 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 Adenosine A1 receptor expressed in CHO cells after 60 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50159485
(CHEMBL3787179)Show InChI InChI=1S/C13H14N4O2S/c1-3-19-12(18)10-8(2)16-13-14-7-15-17(13)11(10)9-4-5-20-6-9/h4-7,11H,3H2,1-2H3,(H,14,15,16) | PDB
NCI pathway
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 699 | 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 Adenosine A2B receptor expressed in HEK293 cells after 30 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50159501
(CHEMBL3785876)Show InChI InChI=1S/C15H17N3O2S/c1-9(2)20-14(19)12-10(3)17-15-16-6-7-18(15)13(12)11-5-4-8-21-11/h4-9,13H,1-3H3,(H,16,17) | PDB
NCI pathway
Reactome pathway
KEGG
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DrugBank
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 728 | 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 Adenosine A2B receptor expressed in HEK293 cells after 30 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50159487
(CHEMBL3785256)Show InChI InChI=1S/C14H16N4O2S/c1-8(2)20-13(19)11-9(3)17-14-15-7-16-18(14)12(11)10-4-5-21-6-10/h4-8,12H,1-3H3,(H,15,16,17) | PDB
NCI pathway
Reactome pathway
KEGG
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DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 817 | 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 Adenosine A2B receptor expressed in HEK293 cells after 30 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50159504
(CHEMBL3785334)Show InChI InChI=1S/C15H17N3O2S/c1-9(2)20-14(19)12-10(3)17-15-16-5-6-18(15)13(12)11-4-7-21-8-11/h4-9,13H,1-3H3,(H,16,17) | PDB
NCI pathway
Reactome pathway
KEGG
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DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 847 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells after 30 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(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
Reactome pathway
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| Article
PubMed
| 863 | 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 Adenosine A3 receptor expressed in HeLa cells after 30 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50159483
(CHEMBL3091699)Show InChI InChI=1S/C13H16N2O4/c1-7(2)19-12(16)10-8(3)14-13(17)15-11(10)9-4-5-18-6-9/h4-7,11H,1-3H3,(H2,14,15,17) | PDB
NCI pathway
Reactome pathway
KEGG
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DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.49E+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 of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells after 30 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(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
Reactome pathway
KEGG
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| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
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Similars
| Article
PubMed
| 1.72E+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 of [3H]NECA from human Adenosine A3 receptor expressed in HeLa cells after 30 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50159490
(CHEMBL3785517)Show InChI InChI=1S/C13H15NO4/c1-3-17-13(16)12-8(2)14-11(15)7-9(12)10-5-4-6-18-10/h4-6,9H,3,7H2,1-2H3,(H,14,15) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.54E+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 of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells after 30 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50159503
(CHEMBL3785980)Show InChI InChI=1S/C14H15N3O2S/c1-3-19-13(18)11-9(2)16-14-15-6-7-17(14)12(11)10-5-4-8-20-10/h4-8,12H,3H2,1-2H3,(H,15,16) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 4.61E+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 of [3H]NECA from human Adenosine A3 receptor expressed in HeLa cells after 30 mins |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50001493
(3-Propyl-3,7-dihydro-purine-2,6-dione | 3-Propyl-3...)Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| DrugBank
Article
PubMed
| 4.73E+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 of [3H]DPX from human recombinant Adenosine A2B receptor expressed in HEK293 cells after 3 hrs |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM10847
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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CHEMBL
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MCE
KEGG
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| DrugBank
Article
PubMed
| 9.07E+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 of [125I]-ABOPX from human recombinant Adenosine A2B receptor expressed in HEK293 cells after 3 hrs |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM10849
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 3.38E+4 | 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 [125I]-ABOPX from human recombinant Adenosine A2B receptor expressed in HEK293 cells after 3 hrs |
J Med Chem 59: 1967-83 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9 |
More data for this
Ligand-Target Pair | |
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