Found 441 hits of ec50 for UniProtKB: P29274 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50451378
(CHEMBL39106)Show InChI InChI=1S/C13H12N2O2S.HI/c1-7(16)17-9-3-4-10-8(6-9)2-5-11-12(10)15-13(14)18-11;/h3-4,6H,2,5H2,1H3,(H2,14,15);1H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 0 | n/a | n/a | n/a | n/a |
University of Virginia
Curated by ChEMBL
| Assay Description
AE maximal score at Adenosine A2A receptor |
Bioorg Med Chem Lett 12: 1563-6 (2002)
BindingDB Entry DOI: 10.7270/Q2833RBV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50451381
(CHEMBL38779)Show InChI InChI=1S/C12H12N2OS.HI/c1-15-8-3-4-9-7(6-8)2-5-10-11(9)14-12(13)16-10;/h3-4,6H,2,5H2,1H3,(H2,13,14);1H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 0 | n/a | n/a | n/a | n/a |
University of Virginia
Curated by ChEMBL
| Assay Description
AE maximal score at Adenosine A2A receptor |
Bioorg Med Chem Lett 12: 1563-6 (2002)
BindingDB Entry DOI: 10.7270/Q2833RBV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50451379
(CHEMBL43299)Show InChI InChI=1S/C12H12N2O2S.HI/c1-15-8-3-6-4-10-11(14-12(13)17-10)7(6)5-9(8)16-2;/h3,5H,4H2,1-2H3,(H2,13,14);1H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 0.00100 | n/a | n/a | n/a | n/a |
University of Virginia
Curated by ChEMBL
| Assay Description
AE maximal score at Adenosine A2A receptor |
Bioorg Med Chem Lett 12: 1563-6 (2002)
BindingDB Entry DOI: 10.7270/Q2833RBV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Homo sapiens (Human)) | BDBM50368543
(CHEMBL605668)Show SMILES Cc1ccc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)cc1 |r| Show InChI InChI=1S/C19H23N5O5/c1-10-2-4-11(5-3-10)6-7-28-19-22-16(20)13-17(23-19)24(9-21-13)18-15(27)14(26)12(8-25)29-18/h2-5,9,12,14-15,18,25-27H,6-8H2,1H3,(H2,20,22,23)/t12-,14-,15-,18?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 0.191 | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
Concentration required for coronary arteries vasodilation at the Adenosine A2 receptor in langendorff guinea pig heart preparation |
J Med Chem 34: 1340-4 (1991)
BindingDB Entry DOI: 10.7270/Q24T6KJM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Homo sapiens (Human)) | BDBM50230152
(Binodenoson | Corvue | MRE0470 | WRC-0470)Show SMILES Nc1nc(N\N=C\C2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h6,8-10,12-13,16,25-27H,1-5,7H2,(H3,18,21,22,23)/b20-6+/t10-,12-,13-,16-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 0.257 | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
In vitro effect on coronary vasodilation in guinea pig heart. |
J Med Chem 35: 4557-61 (1993)
BindingDB Entry DOI: 10.7270/Q21Z43BT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Homo sapiens (Human)) | BDBM50421975
(CHEMBL611607)Show SMILES Nc1nc(N=NCC2CCC=CC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5,c:10| Show InChI InChI=1S/C17H23N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h1-2,8-10,12-13,16,25-27H,3-7H2,(H2,18,21,22)/t9?,10-,12-,13-,16?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 0.324 | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
In vitro effect on coronary vasodilation in guinea pig heart. |
J Med Chem 35: 4557-61 (1993)
BindingDB Entry DOI: 10.7270/Q21Z43BT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Homo sapiens (Human)) | BDBM50421890
(CHEMBL2311197)Show SMILES Nc1nc(OCCc2ccc(Cl)cc2)nc2n(cnc12)[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C18H20ClN5O5/c19-10-3-1-9(2-4-10)5-6-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-4,8,11,13-14,17,25-27H,5-7H2,(H2,20,22,23)/t11-,13-,14-,17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 0.389 | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
Concentration required for coronary arteries vasodilation at the Adenosine A2 receptor in langendorff guinea pig heart preparation |
J Med Chem 34: 1340-4 (1991)
BindingDB Entry DOI: 10.7270/Q24T6KJM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Homo sapiens (Human)) | BDBM50421980
(CHEMBL2113592)Show SMILES CC(C)CCN=Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:5.4| Show InChI InChI=1S/C15H23N7O4/c1-7(2)3-4-18-21-15-19-12(16)9-13(20-15)22(6-17-9)14-11(25)10(24)8(5-23)26-14/h6-8,10-11,14,23-25H,3-5H2,1-2H3,(H2,16,19,20)/t8-,10-,11-,14-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 0.468 | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
In vitro effect on coronary vasodilation in guinea pig heart. |
J Med Chem 35: 4557-61 (1993)
BindingDB Entry DOI: 10.7270/Q21Z43BT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Homo sapiens (Human)) | BDBM50406504
(CHEMBL605878)Show SMILES Nc1nc(OCCc2ccc3ccccc3c2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C22H23N5O5/c23-19-16-20(27(11-24-16)21-18(30)17(29)15(10-28)32-21)26-22(25-19)31-8-7-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,11,15,17-18,21,28-30H,7-8,10H2,(H2,23,25,26)/t15-,17-,18-,21?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 0.501 | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
Concentration required for coronary arteries vasodilation at the Adenosine A2 receptor in langendorff guinea pig heart preparation |
J Med Chem 34: 1340-4 (1991)
BindingDB Entry DOI: 10.7270/Q24T6KJM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50513547
(CHEMBL4471366)Show SMILES Nc1nc(N\N=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C31H31N7O6/c32-28-25-29(38(18-33-25)30-27(41)26(40)24(15-39)44-30)36-31(35-28)37-34-14-21-11-12-22(42-16-19-7-3-1-4-8-19)23(13-21)43-17-20-9-5-2-6-10-20/h1-14,18,24,26-27,30,39-41H,15-17H2,(H3,32,35,36,37)/b34-14+/t24-,26-,27-,30-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.640 | n/a | n/a | n/a | n/a |
National Engineering Research Center for the Emergency Drug
Curated by ChEMBL
| Assay Description
Agonist activity at human adenosine receptor A2A expressed in HEK293 cells assessed as cAMP accumulation incubated for 30 mins by Eu-cAMP tracer-base... |
Eur J Med Chem 179: 310-324 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.050
BindingDB Entry DOI: 10.7270/Q24B34NM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Homo sapiens (Human)) | BDBM50421982
(CHEMBL608663)Show SMILES Nc1nc(N=NCCC2CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5| Show InChI InChI=1S/C18H27N7O4/c19-15-12-16(25(9-20-12)17-14(28)13(27)11(8-26)29-17)23-18(22-15)24-21-7-6-10-4-2-1-3-5-10/h9-11,13-14,17,26-28H,1-8H2,(H2,19,22,23)/t11-,13-,14-,17?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 0.692 | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
In vitro effect on coronary vasodilation in guinea pig heart. |
J Med Chem 35: 4557-61 (1993)
BindingDB Entry DOI: 10.7270/Q21Z43BT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50385948
(CHEMBL2042304)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(F)nc12 |r| Show InChI InChI=1S/C26H27FN6O4/c1-2-28-24(36)21-19(34)20(35)25(37-21)33-14-30-18-22(31-26(27)32-23(18)33)29-13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17,19-21,25,34-35H,2,13H2,1H3,(H,28,36)(H,29,31,32)/t19-,20+,21-,25+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.850 | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as increase in intracellular cAMP level after 30 mins |
J Med Chem 55: 3521-34 (2012)
Article DOI: 10.1021/jm300206u
BindingDB Entry DOI: 10.7270/Q2FT8N35 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Homo sapiens (Human)) | BDBM50406519
(CHEMBL606080)Show SMILES Nc1nc(OCCc2ccc(F)cc2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C18H20FN5O5/c19-10-3-1-9(2-4-10)5-6-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-4,8,11,13-14,17,25-27H,5-7H2,(H2,20,22,23)/t11-,13-,14-,17?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 0.871 | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
Concentration required for coronary arteries vasodilation at the A2 adenosine receptor in langendorff guinea pig heart preparation |
J Med Chem 34: 1340-4 (1991)
BindingDB Entry DOI: 10.7270/Q24T6KJM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50595579
(CHEMBL5203469)Show SMILES CCCCC#Cc1nc(N)c2nc(-c3cccs3)n([C@@H]3OC[C@@H](O)[C@H]3O)c2n1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00462
BindingDB Entry DOI: 10.7270/Q2NV9P8D |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Adenosine receptor A2a/A2b
(Homo sapiens (Human)) | BDBM50421985
(CHEMBL611916)Show SMILES CCCCCN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:5.4| Show InChI InChI=1S/C15H23N7O4/c1-2-3-4-5-18-21-15-19-12(16)9-13(20-15)22(7-17-9)14-11(25)10(24)8(6-23)26-14/h7-8,10-11,14,23-25H,2-6H2,1H3,(H2,16,19,20)/t8-,10-,11-,14?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
In vitro effect on coronary vasodilation in guinea pig heart. |
J Med Chem 35: 4557-61 (1993)
BindingDB Entry DOI: 10.7270/Q21Z43BT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50150766
((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12 Show InChI InChI=1S/C21H26N10O4/c1-2-31-28-18(27-29-31)16-14(33)15(34)20(35-16)30-10-23-13-17(22)25-21(26-19(13)30)24-12(9-32)8-11-6-4-3-5-7-11/h3-7,10,12,14-16,20,32-34H,2,8-9H2,1H3,(H3,22,24,25,26)/t12-,14-,15+,16-,20+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Universit£ di Ferrara
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant adenosine A2A receptor expressed in CHO cells assessed as induction of cyclic AMP production |
J Med Chem 55: 5676-703 (2012)
Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50513551
(CHEMBL4447310)Show SMILES CCCCc1nc(\C=N\Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c(Cl)[nH]1 |r| Show InChI InChI=1S/C18H24ClN9O4/c1-2-3-4-10-23-8(14(19)24-10)5-22-27-18-25-15(20)11-16(26-18)28(7-21-11)17-13(31)12(30)9(6-29)32-17/h5,7,9,12-13,17,29-31H,2-4,6H2,1H3,(H,23,24)(H3,20,25,26,27)/b22-5+/t9-,12-,13-,17-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a |
National Engineering Research Center for the Emergency Drug
Curated by ChEMBL
| Assay Description
Agonist activity at human adenosine receptor A2A expressed in HEK293 cells assessed as cAMP accumulation incubated for 30 mins by Eu-cAMP tracer-base... |
Eur J Med Chem 179: 310-324 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.050
BindingDB Entry DOI: 10.7270/Q24B34NM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50600755
(CHEMBL5171148) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00101
BindingDB Entry DOI: 10.7270/Q2417231 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50600757
(CHEMBL5208415) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00101
BindingDB Entry DOI: 10.7270/Q2417231 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM35804
((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Partial agonist activity at human A2A receptor expressed in HEK293 cell membranes assessed as intrinsic activity by measuring cell index change withi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01856
BindingDB Entry DOI: 10.7270/Q2PN99H7 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50513554
(CHEMBL4438487)Show SMILES CC(Cc1ccc(cc1)C(C)C)\C=N\Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C23H31N7O4/c1-12(2)15-6-4-14(5-7-15)8-13(3)9-26-29-23-27-20(24)17-21(28-23)30(11-25-17)22-19(33)18(32)16(10-31)34-22/h4-7,9,11-13,16,18-19,22,31-33H,8,10H2,1-3H3,(H3,24,27,28,29)/b26-9+/t13?,16-,18-,19-,22-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a |
National Engineering Research Center for the Emergency Drug
Curated by ChEMBL
| Assay Description
Agonist activity at human adenosine receptor A2A expressed in HEK293 cells assessed as cAMP accumulation incubated for 30 mins by Eu-cAMP tracer-base... |
Eur J Med Chem 179: 310-324 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.050
BindingDB Entry DOI: 10.7270/Q24B34NM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50150762
((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(OC)cc3)nc12 Show InChI InChI=1S/C22H28N10O5/c1-3-32-29-19(28-30-32)17-15(34)16(35)21(37-17)31-10-24-14-18(23)26-22(27-20(14)31)25-12(9-33)8-11-4-6-13(36-2)7-5-11/h4-7,10,12,15-17,21,33-35H,3,8-9H2,1-2H3,(H3,23,25,26,27)/t12-,15-,16+,17-,21+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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UniChem
Similars
| Article
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| n/a | n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Potency against cAMP formation in CHO cells expressing recombinant human A2A receptor |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Homo sapiens (Human)) | BDBM50406499
(CHEMBL605463)Show SMILES COc1ccc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)cc1 |r| Show InChI InChI=1S/C19H23N5O6/c1-28-11-4-2-10(3-5-11)6-7-29-19-22-16(20)13-17(23-19)24(9-21-13)18-15(27)14(26)12(8-25)30-18/h2-5,9,12,14-15,18,25-27H,6-8H2,1H3,(H2,20,22,23)/t12-,14-,15-,18?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
Concentration required for coronary arteries vasodilation at the A2 adenosine receptor in langendorff guinea pig heart preparation |
J Med Chem 34: 1340-4 (1991)
BindingDB Entry DOI: 10.7270/Q24T6KJM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50600758
(CHEMBL5174275) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| Article
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| n/a | n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00101
BindingDB Entry DOI: 10.7270/Q2417231 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Homo sapiens (Human)) | BDBM50406511
(CHEMBL604836)Show SMILES Cc1cccc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)c1 |r| Show InChI InChI=1S/C19H23N5O5/c1-10-3-2-4-11(7-10)5-6-28-19-22-16(20)13-17(23-19)24(9-21-13)18-15(27)14(26)12(8-25)29-18/h2-4,7,9,12,14-15,18,25-27H,5-6,8H2,1H3,(H2,20,22,23)/t12-,14-,15-,18?/m0/s1 | PDB
UniProtKB/SwissProt
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PC sid
UniChem
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| n/a | n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
Concentration required for coronary arteries vasodilation at the Adenosine A2 receptor in langendorff guinea pig heart preparation |
J Med Chem 34: 1340-4 (1991)
BindingDB Entry DOI: 10.7270/Q24T6KJM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50150765
((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-2-(4-bromo-phenyl)...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(Br)cc3)nc12 Show InChI InChI=1S/C21H25BrN10O4/c1-2-32-29-18(28-30-32)16-14(34)15(35)20(36-16)31-9-24-13-17(23)26-21(27-19(13)31)25-12(8-33)7-10-3-5-11(22)6-4-10/h3-6,9,12,14-16,20,33-35H,2,7-8H2,1H3,(H3,23,25,26,27)/t12-,14-,15+,16-,20+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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UniChem
Similars
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| n/a | n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Potency against cAMP formation in CHO cells expressing recombinant human A2A receptor |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50600748
(CHEMBL5176737) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| PC cid
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| Article
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| n/a | n/a | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00101
BindingDB Entry DOI: 10.7270/Q2417231 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Homo sapiens (Human)) | BDBM50421983
(CHEMBL608966)Show SMILES Nc1nc(N=NCCCC2CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5| Show InChI InChI=1S/C19H29N7O4/c20-16-13-17(26(10-21-13)18-15(29)14(28)12(9-27)30-18)24-19(23-16)25-22-8-4-7-11-5-2-1-3-6-11/h10-12,14-15,18,27-29H,1-9H2,(H2,20,23,24)/t12-,14-,15-,18?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
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| PubMed
| n/a | n/a | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
In vitro effect on coronary vasodilation in guinea pig heart. |
J Med Chem 35: 4557-61 (1993)
BindingDB Entry DOI: 10.7270/Q21Z43BT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Homo sapiens (Human)) | BDBM50406503
(CHEMBL606081)Show SMILES Nc1nc(OCCc2cccc(F)c2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C18H20FN5O5/c19-10-3-1-2-9(6-10)4-5-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-3,6,8,11,13-14,17,25-27H,4-5,7H2,(H2,20,22,23)/t11-,13-,14-,17?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
Concentration required for coronary arteries vasodilation at the A2 adenosine receptor in langendorff guinea pig heart preparation |
J Med Chem 34: 1340-4 (1991)
BindingDB Entry DOI: 10.7270/Q24T6KJM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Homo sapiens (Human)) | BDBM50009509
((CGS 22,492) 2-[6-Amino-2-(2-cyclohexyl-ethylamino...)Show SMILES Nc1nc(NCCC2CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C18H28N6O4/c19-15-12-16(23-18(22-15)20-7-6-10-4-2-1-3-5-10)24(9-21-12)17-14(27)13(26)11(8-25)28-17/h9-11,13-14,17,25-27H,1-8H2,(H3,19,20,22,23)/t11-,13-,14-,17?/m1/s1 | PDB
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PC sid
UniChem
Similars
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| n/a | n/a | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
In vitro effect on coronary vasodilation in guinea pig heart. |
J Med Chem 35: 4557-61 (1993)
BindingDB Entry DOI: 10.7270/Q21Z43BT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Homo sapiens (Human)) | BDBM50421972
(CHEMBL611921)Show SMILES CCCC(C)N=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:5.4| Show InChI InChI=1S/C15H23N7O4/c1-3-4-7(2)20-21-15-18-12(16)9-13(19-15)22(6-17-9)14-11(25)10(24)8(5-23)26-14/h6-8,10-11,14,23-25H,3-5H2,1-2H3,(H2,16,18,19)/t7?,8-,10-,11-,14?/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
In vitro effect on coronary vasodilation in guinea pig heart. |
J Med Chem 35: 4557-61 (1993)
BindingDB Entry DOI: 10.7270/Q21Z43BT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50385955
(CHEMBL2042311)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(F)nc12 |r| Show InChI InChI=1S/C25H25FN6O4/c1-27-23(35)20-18(33)19(34)24(36-20)32-13-29-17-21(30-25(26)31-22(17)32)28-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16,18-20,24,33-34H,12H2,1H3,(H,27,35)(H,28,30,31)/t18-,19+,20-,24+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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| Article
PubMed
| n/a | n/a | n/a | n/a | 2.02 | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as increase in intracellular cAMP level after 30 mins |
J Med Chem 55: 3521-34 (2012)
Article DOI: 10.1021/jm300206u
BindingDB Entry DOI: 10.7270/Q2FT8N35 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM35804
((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1 | PDB
MMDB
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| n/a | n/a | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
| Assay Description
Agonist activity at human adenosine A2a receptor expressed in CHO cells assessed as stimulation of cAMP formation after 24 hrs |
ACS Med Chem Lett 5: 1043-8 (2014)
Article DOI: 10.1021/ml5002486
BindingDB Entry DOI: 10.7270/Q2VD712G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Adenosine receptor A2a/A2b
(Homo sapiens (Human)) | BDBM50009535
((CGS 22,989) 2-[6-Amino-2-(2-cyclohex-1-enyl-ethyl...)Show SMILES Nc1nc(NCCC2=CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |t:7| Show InChI InChI=1S/C18H26N6O4/c19-15-12-16(23-18(22-15)20-7-6-10-4-2-1-3-5-10)24(9-21-12)17-14(27)13(26)11(8-25)28-17/h4,9,11,13-14,17,25-27H,1-3,5-8H2,(H3,19,20,22,23)/t11-,13-,14-,17?/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 2.20 | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
In vitro effect on coronary vasodilation in guinea pig heart. |
J Med Chem 35: 4557-61 (1993)
BindingDB Entry DOI: 10.7270/Q21Z43BT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50078422
(CHEMBL3414936)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C12H15N9O3/c1-2-21-18-10(17-19-21)8-6(22)7(23)12(24-8)20-4-16-5-9(13)14-3-15-11(5)20/h3-4,6-8,12,22-23H,2H2,1H3,(H2,13,14,15)/t6-,7+,8-,12+/m0/s1 | PDB
MMDB
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| Article
PubMed
| n/a | n/a | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant adenosine A2A receptor transfected in CHO cells assessed as induction of adenylyl cyclase activity |
J Med Chem 58: 2560-6 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00074
BindingDB Entry DOI: 10.7270/Q2GX4D8B |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB
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Article
PubMed
| n/a | n/a | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Irreversible agonist activity at human adenosine A2A receptor expressed in Flp-In-CHO cells assessed as effect on forskolin-induced cAMP accumulation... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.6b01561
BindingDB Entry DOI: 10.7270/Q2K93C7T |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Adenosine receptor A2a/A2b
(Homo sapiens (Human)) | BDBM50406518
(CHEMBL604422)Show SMILES COc1cccc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)c1 |r| Show InChI InChI=1S/C19H23N5O6/c1-28-11-4-2-3-10(7-11)5-6-29-19-22-16(20)13-17(23-19)24(9-21-13)18-15(27)14(26)12(8-25)30-18/h2-4,7,9,12,14-15,18,25-27H,5-6,8H2,1H3,(H2,20,22,23)/t12-,14-,15-,18?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
Concentration required for coronary arteries vasodilation at the Adenosine A2 receptor in langendorff guinea pig heart preparation |
J Med Chem 34: 1340-4 (1991)
BindingDB Entry DOI: 10.7270/Q24T6KJM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Homo sapiens (Human)) | BDBM50406510
(CHEMBL605876)Show SMILES Nc1nc(OCCc2ccccc2F)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C18H20FN5O5/c19-10-4-2-1-3-9(10)5-6-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-4,8,11,13-14,17,25-27H,5-7H2,(H2,20,22,23)/t11-,13-,14-,17?/m0/s1 | PDB
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PC sid
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| n/a | n/a | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
Concentration required for coronary arteries vasodilation at the A2 adenosine receptor in langendorff guinea pig heart preparation |
J Med Chem 34: 1340-4 (1991)
BindingDB Entry DOI: 10.7270/Q24T6KJM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Homo sapiens (Human)) | BDBM50406501
(CHEMBL606092)Show SMILES Nc1nc(OCCc2ccccc2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C18H21N5O5/c19-15-12-16(22-18(21-15)27-7-6-10-4-2-1-3-5-10)23(9-20-12)17-14(26)13(25)11(8-24)28-17/h1-5,9,11,13-14,17,24-26H,6-8H2,(H2,19,21,22)/t11-,13-,14-,17?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
Concentration required for coronary arteries vasodilation at the A2 adenosine receptor in langendorff guinea pig heart preparation |
J Med Chem 34: 1340-4 (1991)
BindingDB Entry DOI: 10.7270/Q24T6KJM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50266652
(CHEMBL4078479)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C19H20IN9O3/c1-2-29-26-17(25-27-29)15-13(30)14(31)19(32-15)28-9-24-12-16(22-8-23-18(12)28)21-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-15,19,30-31H,2,7H2,1H3,(H,21,22,23)/t13-,14+,15-,19+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human adenosine A2A receptor expressed in CHO cell membranes assessed as stimulation of adenylyl cyclase activity by ... |
J Med Chem 60: 4327-4341 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00291
BindingDB Entry DOI: 10.7270/Q2CJ8GZX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Homo sapiens (Human)) | BDBM50421979
(CHEMBL607585)Show SMILES CCCCN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:4.3| Show InChI InChI=1S/C14H21N7O4/c1-2-3-4-17-20-14-18-11(15)8-12(19-14)21(6-16-8)13-10(24)9(23)7(5-22)25-13/h6-7,9-10,13,22-24H,2-5H2,1H3,(H2,15,18,19)/t7-,9-,10-,13?/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
In vitro effect on coronary vasodilation in guinea pig heart. |
J Med Chem 35: 4557-61 (1993)
BindingDB Entry DOI: 10.7270/Q21Z43BT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Homo sapiens (Human)) | BDBM50406514
(CHEMBL605873)Show SMILES Nc1nc(OCCc2cccc(Cl)c2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C18H20ClN5O5/c19-10-3-1-2-9(6-10)4-5-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-3,6,8,11,13-14,17,25-27H,4-5,7H2,(H2,20,22,23)/t11-,13-,14-,17?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
Concentration required for coronary arteries vasodilation at the Adenosine A2 receptor in langendorff guinea pig heart preparation |
J Med Chem 34: 1340-4 (1991)
BindingDB Entry DOI: 10.7270/Q24T6KJM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50003647
(CHEMBL3235280)Show SMILES CCN(CC)CCN1CCN(CC1)C(=O)CCc1cccc(CSc2nc(N)c(C#N)c(n2)-c2ccc(NC(C)=O)cc2)n1 Show InChI InChI=1S/C32H41N9O2S/c1-4-39(5-2)15-16-40-17-19-41(20-18-40)29(43)14-13-25-7-6-8-27(36-25)22-44-32-37-30(28(21-33)31(34)38-32)24-9-11-26(12-10-24)35-23(3)42/h6-12H,4-5,13-20,22H2,1-3H3,(H,35,42)(H2,34,37,38) | PDB
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| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Agonist activity at human adenosine A2A receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level after 30 mins by EIA |
J Med Chem 57: 3213-22 (2014)
Article DOI: 10.1021/jm401643m
BindingDB Entry DOI: 10.7270/Q27P90X6 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50150764
((2R,3R,4S,5R)-2-{6-Amino-2-[(S)-1-hydroxymethyl-2-...)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccc(cc3)[N+]([O-])=O)nc12 Show InChI InChI=1S/C21H25N11O6/c1-2-31-28-18(27-29-31)16-14(34)15(35)20(38-16)30-9-23-13-17(22)25-21(26-19(13)30)24-11(8-33)7-10-3-5-12(6-4-10)32(36)37/h3-6,9,11,14-16,20,33-35H,2,7-8H2,1H3,(H3,22,24,25,26)/t11-,14-,15+,16-,20+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 3.10 | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Potency against cAMP formation in CHO cells expressing recombinant human A2A receptor |
J Med Chem 47: 4041-53 (2004)
Article DOI: 10.1021/jm031143+
BindingDB Entry DOI: 10.7270/Q26D5TR9 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Homo sapiens (Human)) | BDBM50421986
(CHEMBL610443)Show SMILES Nc1nc(N=NCC2=CC3CCC2C3)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5,t:7,TLB:6:7:13:11.10| Show InChI InChI=1S/C18H23N7O4/c19-15-12-16(25(7-20-12)17-14(28)13(27)11(6-26)29-17)23-18(22-15)24-21-5-10-4-8-1-2-9(10)3-8/h4,7-9,11,13-14,17,26-28H,1-3,5-6H2,(H2,19,22,23)/t8?,9?,11-,13-,14-,17?/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
In vitro effect on coronary vasodilation in guinea pig heart. |
J Med Chem 35: 4557-61 (1993)
BindingDB Entry DOI: 10.7270/Q21Z43BT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB
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CHEMBL
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| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a |
Medicinal Chemistry, Monash Institute of Pharmaceutical Sciences , Monash University , Parkville , Victoria 3052 , Australia.
Curated by ChEMBL
| Assay Description
Agonist activity at human A2A-AR expressed in FlpIn-CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation preincubated for 40 mi... |
J Med Chem 61: 2087-2103 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00047
BindingDB Entry DOI: 10.7270/Q21J9D7Z |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Adenosine receptor A2a/A2b
(Homo sapiens (Human)) | BDBM50406521
(CHEMBL605461)Show SMILES Nc1nc(OCCc2ccsc2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C16H19N5O5S/c17-13-10-14(20-16(19-13)25-3-1-8-2-4-27-6-8)21(7-18-10)15-12(24)11(23)9(5-22)26-15/h2,4,6-7,9,11-12,15,22-24H,1,3,5H2,(H2,17,19,20)/t9-,11-,12-,15?/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 3.40 | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
Concentration required for coronary arteries vasodilation at the Adenosine A2 receptor in langendorff guinea pig heart preparation |
J Med Chem 34: 1340-4 (1991)
BindingDB Entry DOI: 10.7270/Q24T6KJM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Homo sapiens (Human)) | BDBM50421976
(CHEMBL607796)Show SMILES Nc1nc(N=NCC2=CCCCC2)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5,t:7| Show InChI InChI=1S/C17H23N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h4,8,10,12-13,16,25-27H,1-3,5-7H2,(H2,18,21,22)/t10-,12-,13-,16?/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 3.5 | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
In vitro effect on coronary vasodilation in guinea pig heart. |
J Med Chem 35: 4557-61 (1993)
BindingDB Entry DOI: 10.7270/Q21Z43BT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Homo sapiens (Human)) | BDBM50406509
(CHEMBL605667)Show SMILES Nc1nc(OCCc2cccs2)nc2n(cnc12)C1O[C@@H](CO)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C16H19N5O5S/c17-13-10-14(20-16(19-13)25-4-3-8-2-1-5-27-8)21(7-18-10)15-12(24)11(23)9(6-22)26-15/h1-2,5,7,9,11-12,15,22-24H,3-4,6H2,(H2,17,19,20)/t9-,11-,12-,15?/m0/s1 | PDB
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antibodypedia
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PC sid
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| n/a | n/a | n/a | n/a | 3.70 | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
Concentration required for coronary arteries vasodilation at the Adenosine A2 receptor in langendorff guinea pig heart preparation |
J Med Chem 34: 1340-4 (1991)
BindingDB Entry DOI: 10.7270/Q24T6KJM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50078423
(CHEMBL3414937)Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12 |r| Show InChI InChI=1S/C12H14ClN9O3/c1-2-22-19-9(18-20-22)7-5(23)6(24)11(25-7)21-3-15-4-8(14)16-12(13)17-10(4)21/h3,5-7,11,23-24H,2H2,1H3,(H2,14,16,17)/t5-,6+,7-,11+/m0/s1 | PDB
MMDB
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Reactome pathway
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UniProtKB/SwissProt
B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant adenosine A2A receptor transfected in CHO cells assessed as induction of adenylyl cyclase activity |
J Med Chem 58: 2560-6 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00074
BindingDB Entry DOI: 10.7270/Q2GX4D8B |
More data for this
Ligand-Target Pair | |
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