Found 66 hits of ec50 data for polymerid = 2131 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 A2a
(Rattus norvegicus (rat)) | BDBM50369087
(CHEMBL605065)Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(CCC(O)=O)cc1 |r| Show InChI InChI=1S/C23H24N6O6/c1-2-25-22(34)19-17(32)18(33)23(35-19)29-11-26-16-20(24)27-14(28-21(16)29)9-7-12-3-5-13(6-4-12)8-10-15(30)31/h3-6,11,17-19,23,32-33H,2,8,10H2,1H3,(H,25,34)(H,30,31)(H2,24,27,28)/t17-,18+,19-,23?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 0.00800 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Functional activity against adenosine A2a receptor from rat aorta. |
J Med Chem 38: 1462-72 (1995)
BindingDB Entry DOI: 10.7270/Q2R78FWX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50454421
(CHEMBL2113529)Show SMILES CCCCCCc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r| Show InChI InChI=1S/C18H28N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-8H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13+,14-,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 Camerino
Curated by ChEMBL
| Assay Description
Vasorelaxation as Adenosine A2A receptor activity in rat aorta |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50205705
((2S,3S,4R)-5-((R)-6-amino-2-phenylethynyl-9H-purin...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccccc1 Show InChI InChI=1S/C20H20N6O4/c1-2-22-19(29)16-14(27)15(28)20(30-16)26-10-23-13-17(21)24-12(25-18(13)26)9-8-11-6-4-3-5-7-11/h3-7,10,14-16,20,27-28H,2H2,1H3,(H,22,29)(H2,21,24,25)/t14-,15+,16-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 Camerino
Curated by ChEMBL
| Assay Description
Vasorelaxation as Adenosine A2A receptor activity in rat aorta |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50454422
(CHEMBL2113525)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(\C=C/CCCc3ccccc3)nc12 |r| Show InChI InChI=1S/C23H28N6O4/c1-2-25-22(32)19-17(30)18(31)23(33-19)29-13-26-16-20(24)27-15(28-21(16)29)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,8-10,12-13,17-19,23,30-31H,2,4,7,11H2,1H3,(H,25,32)(H2,24,27,28)/b12-8-/t17-,18+,19-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 Camerino
Curated by ChEMBL
| Assay Description
Vasorelaxation as Adenosine A2A receptor activity in rat aorta |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50150767
((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(O)cc3)nc12 Show InChI InChI=1S/C21H26N10O5/c1-2-31-28-18(27-29-31)16-14(34)15(35)20(36-16)30-9-23-13-17(22)25-21(26-19(13)30)24-11(8-32)7-10-3-5-12(33)6-4-10/h3-6,9,11,14-16,20,32-35H,2,7-8H2,1H3,(H3,22,24,25,26)/t11-,14-,15+,16-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Efficacy against phenylephrine precontracted tissue relaxation in rat aorta |
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
(Rattus norvegicus (rat)) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.70 | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Efficacy against phenylephrine precontracted tissue relaxation in rat aorta |
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
(Rattus norvegicus (rat)) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at adenosine receptor A2a in isolated rat aorta assessed as efficacy |
J Med Chem 57: 3623-50 (2014)
Article DOI: 10.1021/jm4011669
BindingDB Entry DOI: 10.7270/Q28P621J |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50085658
((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | >10 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Functional activity against adenosine A2a receptor from rat aorta. |
J Med Chem 38: 1462-72 (1995)
BindingDB Entry DOI: 10.7270/Q2R78FWX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50369108
(CHEMBL605691)Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(F)cc1 |r| Show InChI InChI=1S/C20H19FN6O4/c1-2-23-19(30)16-14(28)15(29)20(31-16)27-9-24-13-17(22)25-12(26-18(13)27)8-5-10-3-6-11(21)7-4-10/h3-4,6-7,9,14-16,20,28-29H,2H2,1H3,(H,23,30)(H2,22,25,26)/t14-,15+,16-,20?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | >10 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Functional activity against adenosine A2a receptor from rat aorta. |
J Med Chem 38: 1462-72 (1995)
BindingDB Entry DOI: 10.7270/Q2R78FWX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50369109
(CHEMBL605056)Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccco1 |r| Show InChI InChI=1S/C18H18N6O5/c1-2-20-17(27)14-12(25)13(26)18(29-14)24-8-21-11-15(19)22-10(23-16(11)24)6-5-9-4-3-7-28-9/h3-4,7-8,12-14,18,25-26H,2H2,1H3,(H,20,27)(H2,19,22,23)/t12-,13+,14-,18?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | >10 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Functional activity against adenosine A2a receptor from rat aorta. |
J Med Chem 38: 1462-72 (1995)
BindingDB Entry DOI: 10.7270/Q2R78FWX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Efficacy against phenylephrine precontracted tissue relaxation in rat aorta |
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
(Rattus norvegicus (rat)) | BDBM50369093
(CHEMBL603389)Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccncc1 |r| Show InChI InChI=1S/C19H19N7O4/c1-2-22-18(29)15-13(27)14(28)19(30-15)26-9-23-12-16(20)24-11(25-17(12)26)4-3-10-5-7-21-8-6-10/h5-9,13-15,19,27-28H,2H2,1H3,(H,22,29)(H2,20,24,25)/t13-,14+,15-,19?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | >10 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Functional activity against adenosine A2a receptor from rat aorta. |
J Med Chem 38: 1462-72 (1995)
BindingDB Entry DOI: 10.7270/Q2R78FWX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50369102
(CHEMBL605265)Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1nccs1 |r| Show InChI InChI=1S/C17H17N7O4S/c1-2-19-16(27)13-11(25)12(26)17(28-13)24-7-21-10-14(18)22-8(23-15(10)24)3-4-9-20-5-6-29-9/h5-7,11-13,17,25-26H,2H2,1H3,(H,19,27)(H2,18,22,23)/t11-,12+,13-,17?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 29 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Functional activity against adenosine A2a receptor from rat aorta. |
J Med Chem 38: 1462-72 (1995)
BindingDB Entry DOI: 10.7270/Q2R78FWX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 34 | n/a | n/a | n/a | n/a |
IIQAB (CSIC)
Curated by ChEMBL
| Assay Description
Efficacy against phenylephrine precontracted tissue relaxation in rat aorta |
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 | 
3D Structure (crystal) |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50119168
((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 Show InChI InChI=1S/C16H21N5O4/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(24)12(23)9(7-22)25-16/h8-9,12-13,16,22-24H,2-4,7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 79 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Vasorelaxation as Adenosine A2A receptor activity in rat aorta |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50369107
(CHEMBL603596)Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(C=O)cc1 |r| Show InChI InChI=1S/C21H20N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)8-7-11-3-5-12(9-28)6-4-11/h3-6,9-10,15-17,21,29-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t15-,16+,17-,21?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Functional activity against adenosine A2a receptor from rat aorta. |
J Med Chem 38: 1462-72 (1995)
BindingDB Entry DOI: 10.7270/Q2R78FWX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| n/a | n/a | n/a | n/a | 115 | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description
Functional activity at Adenosine A2A receptor as vasorelaation of rat aorta |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
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| PDB
PubMed
| n/a | n/a | n/a | n/a | 115 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Functional activity against adenosine A2a receptor from rat aorta. |
J Med Chem 38: 1462-72 (1995)
BindingDB Entry DOI: 10.7270/Q2R78FWX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50454425
(CHEMBL2113526)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(\C=C\c3ccccc3)nc12 |r| Show InChI InChI=1S/C20H22N6O4/c1-2-22-19(29)16-14(27)15(28)20(30-16)26-10-23-13-17(21)24-12(25-18(13)26)9-8-11-6-4-3-5-7-11/h3-10,14-16,20,27-28H,2H2,1H3,(H,22,29)(H2,21,24,25)/b9-8+/t14-,15+,16-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 194 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Vasorelaxation as Adenosine A2A receptor activity in rat aorta |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50453789
(CHEMBL2113564)Show SMILES Nc1nc(N\N=C\c2ccco2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H17N7O5/c16-12-9-13(20-15(19-12)21-18-4-7-2-1-3-26-7)22(6-17-9)14-11(25)10(24)8(5-23)27-14/h1-4,6,8,10-11,14,23-25H,5H2,(H3,16,19,20,21)/b18-4+/t8-,10-,11-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 195 | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description
Functional activity at Adenosine A2A receptor as vasorelaation of rat aorta |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50369099
(CHEMBL605690)Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCCc1ccccc1 |r| Show InChI InChI=1S/C22H24N6O4/c1-2-24-21(31)18-16(29)17(30)22(32-18)28-12-25-15-19(23)26-14(27-20(15)28)11-7-6-10-13-8-4-3-5-9-13/h3-5,8-9,12,16-18,22,29-30H,2,6,10H2,1H3,(H,24,31)(H2,23,26,27)/t16-,17+,18-,22?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 210 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Functional activity against adenosine A2a receptor from rat aorta. |
J Med Chem 38: 1462-72 (1995)
BindingDB Entry DOI: 10.7270/Q2R78FWX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50369104
(CHEMBL604026)Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCN1CCSCC1 |r| Show InChI InChI=1S/C19H25N7O4S/c1-2-21-18(29)15-13(27)14(28)19(30-15)26-10-22-12-16(20)23-11(24-17(12)26)4-3-5-25-6-8-31-9-7-25/h10,13-15,19,27-28H,2,5-9H2,1H3,(H,21,29)(H2,20,23,24)/t13-,14+,15-,19?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 223 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Functional activity against adenosine A2a receptor from rat aorta. |
J Med Chem 38: 1462-72 (1995)
BindingDB Entry DOI: 10.7270/Q2R78FWX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50369088
(CHEMBL604649)Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1cccs1 |r| Show InChI InChI=1S/C18H18N6O4S/c1-2-20-17(27)14-12(25)13(26)18(28-14)24-8-21-11-15(19)22-10(23-16(11)24)6-5-9-4-3-7-29-9/h3-4,7-8,12-14,18,25-26H,2H2,1H3,(H,20,27)(H2,19,22,23)/t12-,13+,14-,18?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 227 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Functional activity against A2a adenosine receptor from rat aorta. |
J Med Chem 38: 1462-72 (1995)
BindingDB Entry DOI: 10.7270/Q2R78FWX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50369113
(CHEMBL606318)Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccccn1 |r| Show InChI InChI=1S/C19H19N7O4/c1-2-21-18(29)15-13(27)14(28)19(30-15)26-9-23-12-16(20)24-11(25-17(12)26)7-6-10-5-3-4-8-22-10/h3-5,8-9,13-15,19,27-28H,2H2,1H3,(H,21,29)(H2,20,24,25)/t13-,14+,15-,19?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 243 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Functional activity against adenosine A2a receptor from rat aorta. |
J Med Chem 38: 1462-72 (1995)
BindingDB Entry DOI: 10.7270/Q2R78FWX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50453790
(CHEMBL2113563)Show SMILES Nc1nc(N\N=C\C=C\c2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H21N7O4/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/h1-8,10,12,14-15,18,27-29H,9H2,(H3,20,23,24,25)/b7-4+,22-8+/t12-,14-,15-,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 269 | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description
Functional activity at Adenosine A2A receptor as vasorelaation of rat aorta |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50453793
(CHEMBL2113559)Show SMILES COc1cc(\C=C\C=N\Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)ccc1O |r| Show InChI InChI=1S/C20H23N7O6/c1-32-12-7-10(4-5-11(12)29)3-2-6-23-26-20-24-17(21)14-18(25-20)27(9-22-14)19-16(31)15(30)13(8-28)33-19/h2-7,9,13,15-16,19,28-31H,8H2,1H3,(H3,21,24,25,26)/b3-2+,23-6+/t13-,15-,16-,19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 281 | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description
Functional activity at Adenosine A2A receptor as vasorelaation of rat aorta |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50369091
(CHEMBL604019)Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCN1CCCCC1 |r| Show InChI InChI=1S/C20H27N7O4/c1-2-22-19(30)16-14(28)15(29)20(31-16)27-11-23-13-17(21)24-12(25-18(13)27)7-6-10-26-8-4-3-5-9-26/h11,14-16,20,28-29H,2-5,8-10H2,1H3,(H,22,30)(H2,21,24,25)/t14-,15+,16-,20?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 302 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Functional activity against adenosine A2a receptor from rat aorta. |
J Med Chem 38: 1462-72 (1995)
BindingDB Entry DOI: 10.7270/Q2R78FWX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 394 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Vasorelaxation as Adenosine A2A receptor activity in rat aorta |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
PubMed
| n/a | n/a | n/a | n/a | 394 | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description
Functional activity at Adenosine A2A receptor as vasorelaation of rat aorta |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
PubMed
| n/a | n/a | n/a | n/a | 394 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Functional activity against adenosine A2a receptor from rat aorta. |
J Med Chem 38: 1462-72 (1995)
BindingDB Entry DOI: 10.7270/Q2R78FWX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50369097
(CHEMBL604851)Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCc1ccccc1 |r| Show InChI InChI=1S/C21H22N6O4/c1-2-23-20(30)17-15(28)16(29)21(31-17)27-11-24-14-18(22)25-13(26-19(14)27)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11,15-17,21,28-29H,2,9H2,1H3,(H,23,30)(H2,22,25,26)/t15-,16+,17-,21?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 406 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Functional activity against adenosine A2a receptor from rat aorta. |
J Med Chem 38: 1462-72 (1995)
BindingDB Entry DOI: 10.7270/Q2R78FWX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50369103
(CHEMBL603809)Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCN1CCN(C)CC1 |r| Show InChI InChI=1S/C20H28N8O4/c1-3-22-19(31)16-14(29)15(30)20(32-16)28-11-23-13-17(21)24-12(25-18(13)28)5-4-6-27-9-7-26(2)8-10-27/h11,14-16,20,29-30H,3,6-10H2,1-2H3,(H,22,31)(H2,21,24,25)/t14-,15+,16-,20?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 408 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Functional activity against adenosine A2a receptor from rat aorta. |
J Med Chem 38: 1462-72 (1995)
BindingDB Entry DOI: 10.7270/Q2R78FWX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50453346
(CHEMBL2113449)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#C |r| Show InChI InChI=1S/C14H16N6O4/c1-3-6-18-11(15)7-12(19-6)20(5-17-7)14-9(22)8(21)10(24-14)13(23)16-4-2/h1,5,8-10,14,21-22H,4H2,2H3,(H,16,23)(H2,15,18,19)/t8-,9+,10-,14+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 440 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Functional activity against adenosine A2a receptor from rat aorta. |
J Med Chem 38: 1462-72 (1995)
BindingDB Entry DOI: 10.7270/Q2R78FWX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50369095
(CHEMBL605057)Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1cccc2ccccc12 |r| Show InChI InChI=1S/C24H22N6O4/c1-2-26-23(33)20-18(31)19(32)24(34-20)30-12-27-17-21(25)28-16(29-22(17)30)11-10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12,18-20,24,31-32H,2H2,1H3,(H,26,33)(H2,25,28,29)/t18-,19+,20-,24?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 468 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Functional activity against adenosine A2a receptor from rat aorta. |
J Med Chem 38: 1462-72 (1995)
BindingDB Entry DOI: 10.7270/Q2R78FWX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50453787
(CHEMBL2113556)Show SMILES Nc1nc(N\N=C\C=C\c2ccc(cc2)[N+]([O-])=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H20N8O6/c20-16-13-17(26(9-21-13)18-15(30)14(29)12(8-28)33-18)24-19(23-16)25-22-7-1-2-10-3-5-11(6-4-10)27(31)32/h1-7,9,12,14-15,18,28-30H,8H2,(H3,20,23,24,25)/b2-1+,22-7+/t12-,14-,15-,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 482 | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description
Functional activity at Adenosine A2A receptor as vasorelaation of rat aorta |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50369112
(CHEMBL603812)Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1cccnc1 |r| Show InChI InChI=1S/C19H19N7O4/c1-2-22-18(29)15-13(27)14(28)19(30-15)26-9-23-12-16(20)24-11(25-17(12)26)6-5-10-4-3-7-21-8-10/h3-4,7-9,13-15,19,27-28H,2H2,1H3,(H,22,29)(H2,20,24,25)/t13-,14+,15-,19?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 491 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Functional activity against adenosine A2a receptor from rat aorta. |
J Med Chem 38: 1462-72 (1995)
BindingDB Entry DOI: 10.7270/Q2R78FWX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50454091
(CHEMBL2113450)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCCCc1ccccc1 |r| Show InChI InChI=1S/C23H26N6O4/c1-2-25-22(32)19-17(30)18(31)23(33-19)29-13-26-16-20(24)27-15(28-21(16)29)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,9-10,13,17-19,23,30-31H,2,4,7,11H2,1H3,(H,25,32)(H2,24,27,28)/t17-,18+,19-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 497 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Functional activity against adenosine A2a receptor from rat aorta. |
J Med Chem 38: 1462-72 (1995)
BindingDB Entry DOI: 10.7270/Q2R78FWX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50454091
(CHEMBL2113450)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCCCc1ccccc1 |r| Show InChI InChI=1S/C23H26N6O4/c1-2-25-22(32)19-17(30)18(31)23(33-19)29-13-26-16-20(24)27-15(28-21(16)29)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,9-10,13,17-19,23,30-31H,2,4,7,11H2,1H3,(H,25,32)(H2,24,27,28)/t17-,18+,19-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 497 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Vasorelaxation as Adenosine A2A receptor activity in rat aorta |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50453794
(CHEMBL2113554)Show SMILES COc1ccccc1\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/C20H23N7O5/c1-31-12-7-3-2-5-11(12)6-4-8-23-26-20-24-17(21)14-18(25-20)27(10-22-14)19-16(30)15(29)13(9-28)32-19/h2-8,10,13,15-16,19,28-30H,9H2,1H3,(H3,21,24,25,26)/b6-4+,23-8+/t13-,15-,16-,19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 529 | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description
Functional activity at Adenosine A2A receptor as vasorelaation of rat aorta |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50369084
(CHEMBL604440)Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CCN1CCOCC1 |r| Show InChI InChI=1S/C19H25N7O5/c1-2-21-18(29)15-13(27)14(28)19(31-15)26-10-22-12-16(20)23-11(24-17(12)26)4-3-5-25-6-8-30-9-7-25/h10,13-15,19,27-28H,2,5-9H2,1H3,(H,21,29)(H2,20,23,24)/t13-,14+,15-,19?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 531 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Functional activity against adenosine A2a receptor from rat aorta. |
J Med Chem 38: 1462-72 (1995)
BindingDB Entry DOI: 10.7270/Q2R78FWX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50454426
(CHEMBL2304158)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(\C=C\CCCc3ccccc3)nc12 Show InChI InChI=1S/C23H28N6O4/c1-2-25-22(32)19-17(30)18(31)23(33-19)29-13-26-16-20(24)27-15(28-21(16)29)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,8-10,12-13,17-19,23,30-31H,2,4,7,11H2,1H3,(H,25,32)(H2,24,27,28)/b12-8+/t17-,18+,19-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 576 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Vasorelaxation as Adenosine A2A receptor activity in rat aorta |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50454423
(CHEMBL2113528)Show SMILES CCCC\C=C\c1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r| Show InChI InChI=1S/C18H26N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h7-9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/b8-7+/t12-,13+,14-,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 594 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Vasorelaxation as Adenosine A2A receptor activity in rat aorta |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50453224
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...)Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 Show InChI InChI=1S/C18H24N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13+,14-,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 596 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Functional activity against adenosine A2a receptor from rat aorta. |
J Med Chem 38: 1462-72 (1995)
BindingDB Entry DOI: 10.7270/Q2R78FWX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50453224
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (1...)Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 Show InChI InChI=1S/C18H24N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13+,14-,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 596 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Vasorelaxation as Adenosine A2A receptor activity in rat aorta |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50453788
(CHEMBL2113558)Show SMILES Nc1nc(N\N=C\C=C\c2ccccc2[N+]([O-])=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H20N8O6/c20-16-13-17(26(9-21-13)18-15(30)14(29)12(8-28)33-18)24-19(23-16)25-22-7-3-5-10-4-1-2-6-11(10)27(31)32/h1-7,9,12,14-15,18,28-30H,8H2,(H3,20,23,24,25)/b5-3+,22-7+/t12-,14-,15-,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 638 | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description
Functional activity at Adenosine A2A receptor as vasorelaation of rat aorta |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50369085
(CHEMBL603602)Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C20H20N6O5/c1-2-22-19(30)16-14(28)15(29)20(31-16)26-9-23-13-17(21)24-12(25-18(13)26)8-5-10-3-6-11(27)7-4-10/h3-4,6-7,9,14-16,20,27-29H,2H2,1H3,(H,22,30)(H2,21,24,25)/t14-,15+,16-,20?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 660 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Functional activity against adenosine A2a receptor from rat aorta. |
J Med Chem 38: 1462-72 (1995)
BindingDB Entry DOI: 10.7270/Q2R78FWX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50369167
(CHEMBL611256)Show SMILES CCCC\C=C/c1nc(N)c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 |r| Show InChI InChI=1S/C18H26N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h7-9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/b8-7-/t12-,13+,14-,18?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 676 | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Vasorelaxation as Adenosine A2A receptor activity in rat aorta |
J Med Chem 39: 4211-7 (1996)
Article DOI: 10.1021/jm960376g
BindingDB Entry DOI: 10.7270/Q2542P7Q |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50453792
(CHEMBL2113560)Show SMILES COc1ccc(\C=C\C=N\Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r| Show InChI InChI=1S/C20H23N7O5/c1-31-12-6-4-11(5-7-12)3-2-8-23-26-20-24-17(21)14-18(25-20)27(10-22-14)19-16(30)15(29)13(9-28)32-19/h2-8,10,13,15-16,19,28-30H,9H2,1H3,(H3,21,24,25,26)/b3-2+,23-8+/t13-,15-,16-,19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 677 | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description
Functional activity at Adenosine A2A receptor as vasorelaation of rat aorta |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50453796
(CHEMBL2113552)Show SMILES [#7]-c1nc(-[#7]\[#7]=[#6]\[#6]=[#6](\c2ccccc2)-c2ccccc2)nc2n(cnc12)-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H]-1-[#8] |r| Show InChI InChI=1S/C25H25N7O4/c26-22-19-23(32(14-27-19)24-21(35)20(34)18(13-33)36-24)30-25(29-22)31-28-12-11-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,14,18,20-21,24,33-35H,13H2,(H3,26,29,30,31)/b28-12+/t18-,20-,21-,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 704 | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description
Functional activity at Adenosine A2A receptor as vasorelaation of rat aorta |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50453795
(CHEMBL2113553)Show SMILES CN(C)c1ccc(\C=C\C=N\Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 |r| Show InChI InChI=1S/C21H26N8O4/c1-28(2)13-7-5-12(6-8-13)4-3-9-24-27-21-25-18(22)15-19(26-21)29(11-23-15)20-17(32)16(31)14(10-30)33-20/h3-9,11,14,16-17,20,30-32H,10H2,1-2H3,(H3,22,25,26,27)/b4-3+,24-9+/t14-,16-,17-,20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 728 | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description
Functional activity at Adenosine A2A receptor as vasorelaation of rat aorta |
J Med Chem 38: 3581-5 (1995)
BindingDB Entry DOI: 10.7270/Q29C6Z2Z |
More data for this
Ligand-Target Pair | |
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