Found 2019 hits with Last Name = 'volpini' and Initial = 'r' 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 deaminase
(Bos taurus (bovine)) | BDBM22925
((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12 |c:17| Show InChI InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| Purchase
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PubMed
| 0.00100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibition of adenosine deaminase from calf intestine; Range of 0.01-0.001 nM |
J Med Chem 37: 201-5 (1994)
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50505384
(CHEMBL4457393)Show SMILES COc1c(C)cc(cc1C)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1 Show InChI InChI=1S/C20H19N5O2/c1-12-9-14(10-13(2)17(12)27-3)16-11-24-19(18(21)22-16)23-25(20(24)26)15-7-5-4-6-8-15/h4-11H,1-3H3,(H2,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membranes by radioligand competition assay |
J Med Chem 62: 8511-8531 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00778
BindingDB Entry DOI: 10.7270/Q2ST7T4D |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50555722
(CHEMBL4793920)Show SMILES Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(NC(=O)CCNCCc2ccc(cc2)S(N)(=O)=O)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.263 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human CA12 incubated for 15 mins by stopped- flow CO2 hydrase assay method |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112478
BindingDB Entry DOI: 10.7270/Q2571GPQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50299702
(2-(4-Acetylphenyl)ethynyl-N6-methyl-5'-N-methylcar...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(OC)cc1 |r| Show InChI InChI=1S/C21H22N6O5/c1-22-18-14-19(26-13(25-18)9-6-11-4-7-12(31-3)8-5-11)27(10-24-14)21-16(29)15(28)17(32-21)20(30)23-2/h4-5,7-8,10,15-17,21,28-29H,1-3H3,(H,23,30)(H,22,25,26)/t15-,16+,17-,21+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells |
J Med Chem 52: 7897-900 (2009)
Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Rattus norvegicus) | BDBM50369386
(CHEMBL608327)Show SMILES CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3Cl)ncnc12 |r| Show InChI InChI=1S/C18H18ClIN6O4/c1-21-17(29)14-12(27)13(28)18(30-14)26-7-25-11-15(23-6-24-16(11)26)22-5-8-3-2-4-9(20)10(8)19/h2-4,6-7,12-14,18,27-28H,5H2,1H3,(H,21,29)(H,22,23,24)/t12-,13+,14-,18?/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara
Curated by ChEMBL
| Assay Description
Binding affinity against rat adenosine A3 receptor expressed in CHO cells using [125I]-. |
J Med Chem 41: 3174-85 (1998)
Article DOI: 10.1021/jm980147p
BindingDB Entry DOI: 10.7270/Q2765G10 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50003879
(CHEMBL1277130)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(cc1)C(C)=O |r| Show InChI InChI=1S/C22H22N6O5/c1-11(29)13-7-4-12(5-8-13)6-9-14-26-19(23-2)15-20(27-14)28(10-25-15)22-17(31)16(30)18(33-22)21(32)24-3/h4-5,7-8,10,16-18,22,30-31H,1-3H3,(H,24,32)(H,23,26,27)/t16-,17+,18-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.331 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem 18: 7923-30 (2010)
Article DOI: 10.1016/j.bmc.2010.09.038
BindingDB Entry DOI: 10.7270/Q22J6C3X |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50238406
(CHEMBL4082584)Show SMILES Oc1ccc(cc1)-n1nc2n(cc([nH]c2=O)-c2ccccc2)c1=O Show InChI InChI=1S/C17H12N4O3/c22-13-8-6-12(7-9-13)21-17(24)20-10-14(11-4-2-1-3-5-11)18-16(23)15(20)19-21/h1-10,22H,(H,18,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes after 3 hrs by microbeta scintillation counting method |
J Med Chem 60: 5772-5790 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00457
BindingDB Entry DOI: 10.7270/Q21V5H87 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50299697
(2-(2-Pyridinyl)ethynyl-N6-methyl-5'-N-methylcarbox...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccccn1 |r| Show InChI InChI=1S/C19H19N7O4/c1-20-16-12-17(25-11(24-16)7-6-10-5-3-4-8-22-10)26(9-23-12)19-14(28)13(27)15(30-19)18(29)21-2/h3-5,8-9,13-15,19,27-28H,1-2H3,(H,21,29)(H,20,24,25)/t13-,14+,15-,19+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem 18: 7923-30 (2010)
Article DOI: 10.1016/j.bmc.2010.09.038
BindingDB Entry DOI: 10.7270/Q22J6C3X |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50299697
(2-(2-Pyridinyl)ethynyl-N6-methyl-5'-N-methylcarbox...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccccn1 |r| Show InChI InChI=1S/C19H19N7O4/c1-20-16-12-17(25-11(24-16)7-6-10-5-3-4-8-22-10)26(9-23-12)19-14(28)13(27)15(30-19)18(29)21-2/h3-5,8-9,13-15,19,27-28H,1-2H3,(H,21,29)(H,20,24,25)/t13-,14+,15-,19+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells |
J Med Chem 52: 7897-900 (2009)
Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50041905
(5-[6-Amino-2-(3-hydroxy-3-phenyl-prop-1-ynyl)-puri...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(O)c1ccccc1 Show InChI InChI=1S/C21H22N6O5/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)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50299703
(2-(4-Fluorophenyl)ethynyl-N6-methyl-5'-N-methylcar...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(F)cc1 |r| Show InChI InChI=1S/C20H19FN6O4/c1-22-17-13-18(26-12(25-17)8-5-10-3-6-11(21)7-4-10)27(9-24-13)20-15(29)14(28)16(31-20)19(30)23-2/h3-4,6-7,9,14-16,20,28-29H,1-2H3,(H,23,30)(H,22,25,26)/t14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.427 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem 18: 7923-30 (2010)
Article DOI: 10.1016/j.bmc.2010.09.038
BindingDB Entry DOI: 10.7270/Q22J6C3X |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50299703
(2-(4-Fluorophenyl)ethynyl-N6-methyl-5'-N-methylcar...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(F)cc1 |r| Show InChI InChI=1S/C20H19FN6O4/c1-22-17-13-18(26-12(25-17)8-5-10-3-6-11(21)7-4-10)27(9-24-13)20-15(29)14(28)16(31-20)19(30)23-2/h3-4,6-7,9,14-16,20,28-29H,1-2H3,(H,23,30)(H,22,25,26)/t14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells |
J Med Chem 52: 7897-900 (2009)
Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50299701
(CHEMBL574602 | N6-Methyl-2-phenylethynyl-5'-N-meth...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C20H20N6O4/c1-21-17-13-18(25-12(24-17)9-8-11-6-4-3-5-7-11)26(10-23-13)20-15(28)14(27)16(30-20)19(29)22-2/h3-7,10,14-16,20,27-28H,1-2H3,(H,22,29)(H,21,24,25)/t14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.437 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem 18: 7923-30 (2010)
Article DOI: 10.1016/j.bmc.2010.09.038
BindingDB Entry DOI: 10.7270/Q22J6C3X |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50299701
(CHEMBL574602 | N6-Methyl-2-phenylethynyl-5'-N-meth...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C20H20N6O4/c1-21-17-13-18(25-12(24-17)9-8-11-6-4-3-5-7-11)26(10-23-13)20-15(28)14(27)16(30-20)19(29)22-2/h3-7,10,14-16,20,27-28H,1-2H3,(H,22,29)(H,21,24,25)/t14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells |
J Med Chem 52: 7897-900 (2009)
Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM85208
(S-PHPNECA)Show SMILES CCNC(=O)[C@@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC(O)c1ccccc1 Show InChI InChI=1S/C21H22N6O5/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)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t12?,15-,16+,17+,21?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| 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 |
Università di Camerino
Curated by PDSP Ki Database
| |
Bioorg Med Chem 5: 2267-75 (1997)
Article DOI: 10.1016/s0968-0896(97)00172-7
BindingDB Entry DOI: 10.7270/Q24Q7SJF |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50505386
(CHEMBL4442908)Show SMILES NCCC(=O)Nc1ccc(cc1)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1 Show InChI InChI=1S/C20H19N7O2/c21-11-10-17(28)23-14-8-6-13(7-9-14)16-12-26-19(18(22)24-16)25-27(20(26)29)15-4-2-1-3-5-15/h1-9,12H,10-11,21H2,(H2,22,24)(H,23,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membranes by radioligand competition assay |
J Med Chem 62: 8511-8531 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00778
BindingDB Entry DOI: 10.7270/Q2ST7T4D |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50053929
(CHEMBL88147 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tria...)Show SMILES Clc1ccc2nc(NC(=O)Cc3ccccc3)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C21H14ClN5O2/c22-14-8-9-16-15(12-14)20-25-19(17-7-4-10-29-17)26-27(20)21(23-16)24-18(28)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,23,24,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Firenze
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant adenosine A3 receptor |
Bioorg Med Chem 23: 9-21 (2014)
Article DOI: 10.1016/j.bmc.2014.11.033
BindingDB Entry DOI: 10.7270/Q24B32XC |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50555711
(CHEMBL4764878)Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-NECA from human A2A receptor stably expressed in CHO cell membranes by radioligand competitive binding assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112478
BindingDB Entry DOI: 10.7270/Q2571GPQ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM85523
(6S, (S)-PHPNECA)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#C[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C21H22N6O5/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)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t12-,15?,16?,17?,21?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM25400
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Binding affinity against low affinity component of adenosine A1 receptors from rat brain membranes using [3H]-DPCPX |
J Med Chem 35: 2363-8 (1992)
BindingDB Entry DOI: 10.7270/Q2M9098M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50508679
(CHEMBL4530682)Show InChI InChI=1S/C16H12N4O2S/c17-13-12-16(23-15(18-12)11-5-2-6-22-11)20-14(19-13)10-4-1-3-9(7-10)8-21/h1-7,21H,8H2,(H2,17,19,20) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells after 3 hrs by scintillation counting method |
Bioorg Med Chem Lett 29: 563-569 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.062
BindingDB Entry DOI: 10.7270/Q2FF3WNJ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM50041905
(5-[6-Amino-2-(3-hydroxy-3-phenyl-prop-1-ynyl)-puri...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(O)c1ccccc1 Show InChI InChI=1S/C21H22N6O5/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)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Camerino
Curated by PDSP Ki Database
| |
Bioorg Med Chem 5: 2267-75 (1997)
Article DOI: 10.1016/s0968-0896(97)00172-7
BindingDB Entry DOI: 10.7270/Q24Q7SJF |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50369168
(CHEMBL608918)Show SMILES CCCCCCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C16H25N5O4/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,2-7H2,1H3,(H2,17,19,20)/t9-,12-,13-,16?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]CHA from Adenosine A1 receptor of rat brain |
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)) | BDBM50369168
(CHEMBL608918)Show SMILES CCCCCCc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C16H25N5O4/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,2-7H2,1H3,(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
| >1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CGS- 51680 from Adenosine A2A receptor of rat striatum. |
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 A1
(Rattus norvegicus (rat)) | BDBM50118810
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...)Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13-,15-,16-,19-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Binding affinity against high affinity component of adenosine A1 receptors from rat brain membranes using [3H]DPCPX |
J Med Chem 35: 2363-8 (1992)
BindingDB Entry DOI: 10.7270/Q2M9098M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]CHA from Adenosine A1 receptor of rat brain |
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 A1
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]CHA from Adenosine A1 receptor of rat brain |
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 A3
(Rattus norvegicus) | BDBM50118812
((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara
Curated by ChEMBL
| Assay Description
Binding affinity against rat adenosine A3 receptor expressed in CHO cells using [125I]-. |
J Med Chem 41: 3174-85 (1998)
Article DOI: 10.1021/jm980147p
BindingDB Entry DOI: 10.7270/Q2765G10 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50205729
((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(methoxyamino)-2-...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccn1 Show InChI InChI=1S/C19H19N7O5/c1-20-18(29)15-13(27)14(28)19(31-15)26-9-22-12-16(25-30-2)23-11(24-17(12)26)7-6-10-5-3-4-8-21-10/h3-5,8-9,13-15,19,27-28H,1-2H3,(H,20,29)(H,23,24,25)/t13-,14+,15-,19+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem 18: 7923-30 (2010)
Article DOI: 10.1016/j.bmc.2010.09.038
BindingDB Entry DOI: 10.7270/Q22J6C3X |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50205729
((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(methoxyamino)-2-...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccn1 Show InChI InChI=1S/C19H19N7O5/c1-20-18(29)15-13(27)14(28)19(31-15)26-9-22-12-16(25-30-2)23-11(24-17(12)26)7-6-10-5-3-4-8-21-10/h3-5,8-9,13-15,19,27-28H,1-2H3,(H,20,29)(H,23,24,25)/t13-,14+,15-,19+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells |
J Med Chem 52: 7897-900 (2009)
Article DOI: 10.1021/jm900754g
BindingDB Entry DOI: 10.7270/Q2R211G6 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50205729
((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(methoxyamino)-2-...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccn1 Show InChI InChI=1S/C19H19N7O5/c1-20-18(29)15-13(27)14(28)19(31-15)26-9-22-12-16(25-30-2)23-11(24-17(12)26)7-6-10-5-3-4-8-21-10/h3-5,8-9,13-15,19,27-28H,1-2H3,(H,20,29)(H,23,24,25)/t13-,14+,15-,19+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells |
J Med Chem 50: 1222-30 (2007)
Article DOI: 10.1021/jm060963u
BindingDB Entry DOI: 10.7270/Q2JS9R75 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50413803
(CHEMBL487754)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C17H23ClN6O4/c1-2-19-15(27)12-10(25)11(26)16(28-12)24-7-20-9-13(21-8-5-3-4-6-8)22-17(18)23-14(9)24/h7-8,10-12,16,25-26H,2-6H2,1H3,(H,19,27)(H,21,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes after 3 hrs by microbeta scintillation counting method |
J Med Chem 60: 5772-5790 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00457
BindingDB Entry DOI: 10.7270/Q21V5H87 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-CCPA from human A1 receptor stably expressed in CHO cell membranes by radioligand competitive binding assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112478
BindingDB Entry DOI: 10.7270/Q2571GPQ |
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
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Binding affinity against adenosine A2a receptor from rat striatum using [3H]-CGS- 21680 as a radioligand. |
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
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CGS- 51680 from Adenosine A2A receptor of rat striatum. |
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 A1
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Affinity for adenosine A1 receptor assayed in a competition assay in rat brain using [3H]-CHA as radioligand |
J Med Chem 37: 1720-6 (1994)
BindingDB Entry DOI: 10.7270/Q2RX9CQ4 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Binding affinity against adenosine A1 receptor from rat brain using [3H]CHA as a radioligand. |
J Med Chem 38: 1462-72 (1995)
BindingDB Entry DOI: 10.7270/Q2R78FWX |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50041906
(2-substituted NECA derivatives, 5 | 5-[6-Amino-2-(...)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(C)O Show InChI InChI=1S/C16H20N6O5/c1-3-18-15(26)12-10(24)11(25)16(27-12)22-6-19-9-13(17)20-8(21-14(9)22)5-4-7(2)23/h6-7,10-12,16,23-25H,3H2,1-2H3,(H,18,26)(H2,17,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50205704
(CHEMBL374462 | N6-methoxy-2-[(2-pyridinyl)ethynyl]...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccn1 Show InChI InChI=1S/C20H21N7O5/c1-3-21-19(30)16-14(28)15(29)20(32-16)27-10-23-13-17(26-31-2)24-12(25-18(13)27)8-7-11-6-4-5-9-22-11/h4-6,9-10,14-16,20,28-29H,3H2,1-2H3,(H,21,30)(H,24,25,26)/t14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells |
J Med Chem 50: 1222-30 (2007)
Article DOI: 10.1021/jm060963u
BindingDB Entry DOI: 10.7270/Q2JS9R75 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50508690
(CHEMBL4529321)Show InChI InChI=1S/C15H10N4O2S/c16-12-11-15(22-14(17-11)10-5-2-6-21-10)19-13(18-12)8-3-1-4-9(20)7-8/h1-7,20H,(H2,16,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells after 3 hrs by scintillation counting method |
Bioorg Med Chem Lett 29: 563-569 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.062
BindingDB Entry DOI: 10.7270/Q2FF3WNJ |
More data for this
Ligand-Target Pair | |
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
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Binding affinity against adenosine A2a receptor from rat striatum using [3H]-CGS- 21680 as a radioligand. |
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)) | 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
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CGS- 51680 from Adenosine A2A receptor of rat striatum. |
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 A3
(Homo sapiens (Human)) | BDBM50205707
(CHEMBL223326 | N6-methoxy-2-[2-(1-hydroxycyclohexy...)Show SMILES CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#CC1CCCCC1O Show InChI InChI=1S/C19H25N5O6/c1-29-23-17-14-18(22-13(21-17)7-6-10-4-2-3-5-11(10)26)24(9-20-14)19-16(28)15(27)12(8-25)30-19/h9-12,15-16,19,25-28H,2-5,8H2,1H3,(H,21,22,23)/t10?,11?,12-,15-,16-,19-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells |
J Med Chem 50: 1222-30 (2007)
Article DOI: 10.1021/jm060963u
BindingDB Entry DOI: 10.7270/Q2JS9R75 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50508683
(CHEMBL4440137)Show InChI InChI=1S/C15H10N4OS/c16-12-11-15(19-13(18-12)10-7-4-8-20-10)21-14(17-11)9-5-2-1-3-6-9/h1-8H,(H2,16,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells after 3 hrs by scintillation counting method |
Bioorg Med Chem Lett 29: 563-569 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.062
BindingDB Entry DOI: 10.7270/Q2FF3WNJ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50205717
((2S,3S,4R)-3,4-dihydroxy-5-((S)-2-iodo-6-methoxyam...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(I)nc12 Show InChI InChI=1S/C12H15IN6O5/c1-14-10(22)7-5(20)6(21)11(24-7)19-3-15-4-8(18-23-2)16-12(13)17-9(4)19/h3,5-7,11,20-21H,1-2H3,(H,14,22)(H,16,17,18)/t5-,6+,7-,11+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells |
J Med Chem 50: 1222-30 (2007)
Article DOI: 10.1021/jm060963u
BindingDB Entry DOI: 10.7270/Q2JS9R75 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50505387
(CHEMBL4452162)Show SMILES Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(NC(=O)C=C)cc1 Show InChI InChI=1S/C20H16N6O2/c1-2-17(27)22-14-10-8-13(9-11-14)16-12-25-19(18(21)23-16)24-26(20(25)28)15-6-4-3-5-7-15/h2-12H,1H2,(H2,21,23)(H,22,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membranes by radioligand competition assay |
J Med Chem 62: 8511-8531 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00778
BindingDB Entry DOI: 10.7270/Q2ST7T4D |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50205710
((2S,3S,4R)-3,4-dihydroxy-5-((R)-6-methoxyamino-2-p...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccc1 Show InChI InChI=1S/C20H20N6O5/c1-21-19(29)16-14(27)15(28)20(31-16)26-10-22-13-17(25-30-2)23-12(24-18(13)26)9-8-11-6-4-3-5-7-11/h3-7,10,14-16,20,27-28H,1-2H3,(H,21,29)(H,23,24,25)/t14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem 18: 7923-30 (2010)
Article DOI: 10.1016/j.bmc.2010.09.038
BindingDB Entry DOI: 10.7270/Q22J6C3X |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50205722
((2S,3S,4R,5R)-5-(2-((4-fluorophenyl)ethynyl)-6-(me...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccc(F)cc1 Show InChI InChI=1S/C20H19FN6O5/c1-22-19(30)16-14(28)15(29)20(32-16)27-9-23-13-17(26-31-2)24-12(25-18(13)27)8-5-10-3-6-11(21)7-4-10/h3-4,6-7,9,14-16,20,28-29H,1-2H3,(H,22,30)(H,24,25,26)/t14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells |
J Med Chem 50: 1222-30 (2007)
Article DOI: 10.1021/jm060963u
BindingDB Entry DOI: 10.7270/Q2JS9R75 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50205710
((2S,3S,4R)-3,4-dihydroxy-5-((R)-6-methoxyamino-2-p...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccc1 Show InChI InChI=1S/C20H20N6O5/c1-21-19(29)16-14(27)15(28)20(31-16)26-10-22-13-17(25-30-2)23-12(24-18(13)26)9-8-11-6-4-3-5-7-11/h3-7,10,14-16,20,27-28H,1-2H3,(H,21,29)(H,23,24,25)/t14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells |
J Med Chem 50: 1222-30 (2007)
Article DOI: 10.1021/jm060963u
BindingDB Entry DOI: 10.7270/Q2JS9R75 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50208801
((2S,3S,4R,5R)-5-(6-amino-2-((S)-3-hydroxy-3-phenyl...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#C[C@@H](O)c1ccccc1 Show InChI InChI=1S/C21H22N6O5/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)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t12-,15+,16-,17+,21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)
Article DOI: 10.1007/s002109900044
BindingDB Entry DOI: 10.7270/Q2R20ZXT |
More data for this
Ligand-Target Pair | |
Search and Browse
