BindingDB logo
myBDB logout

107 similar compounds to monomer 50154913

Compile data set for download or QSAR
Wt: 491.8
BDBM50179022
Wt: 441.4
BDBM50179023
Wt: 455.4
BDBM50179026
Wt: 469.4
BDBM50179027
Wt: 541.9
BDBM50179028
Wt: 587.5
BDBM50179029
Wt: 583.5
BDBM50179030
Wt: 557.5
BDBM50179031
Wt: 592.0
BDBM50179032
Wt: 537.5
BDBM50179034
Wt: 617.4
BDBM50179035
Wt: 587.5
BDBM50179036
Wt: 455.4
BDBM50179037
Wt: 432.3
BDBM50179039
Wt: 435.4
BDBM50179040
Displayed 1 to 15 (of 107 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 53 hits for monomerid = 50179022,50179023,50179026,50179027,50179028,50179029,50179030,50179031,50179032,50179034,50179035,50179036,50179037,50179039,50179040   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50179022
PNG
(1-(2-chloro-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(Cl)nc12
Show InChI InChI=1S/C20H22ClN7O6/c1-3-22-17(31)14-12(29)13(30)18(34-14)28-8-23-11-15(25-19(21)27-16(11)28)26-20(32)24-9-4-6-10(33-2)7-5-9/h4-8,12-14,18,29-30H,3H2,1-2H3,(H,22,31)(H2,24,25,26,27,32)/t12-,13+,14-,18+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
17n/an/an/an/an/an/an/an/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 A2a and A3


(Rattus norvegicus)
BDBM50179022
PNG
(1-(2-chloro-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(Cl)nc12
Show InChI InChI=1S/C20H22ClN7O6/c1-3-22-17(31)14-12(29)13(30)18(34-14)28-8-23-11-15(25-19(21)27-16(11)28)26-20(32)24-9-4-6-10(33-2)7-5-9/h4-8,12-14,18,29-30H,3H2,1-2H3,(H,22,31)(H2,24,25,26,27,32)/t12-,13+,14-,18+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
17.1n/an/an/an/an/an/an/an/a



Vigo University

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1291-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.063
BindingDB Entry DOI: 10.7270/Q2959H4J
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50179027
PNG
(1-(4-acetylphenyl)-3-(9-((2R,3R,4S,5S)-5-(ethylcar...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)C(C)=O)ncnc12
Show InChI InChI=1S/C21H23N7O6/c1-3-22-19(32)16-14(30)15(31)20(34-16)28-9-25-13-17(23-8-24-18(13)28)27-21(33)26-12-6-4-11(5-7-12)10(2)29/h4-9,14-16,20,30-31H,3H2,1-2H3,(H,22,32)(H2,23,24,26,27,33)/t14-,15+,16-,20+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
20.9n/an/an/an/an/an/an/an/a



Vigo University

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1291-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.063
BindingDB Entry DOI: 10.7270/Q2959H4J
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50179027
PNG
(1-(4-acetylphenyl)-3-(9-((2R,3R,4S,5S)-5-(ethylcar...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)C(C)=O)ncnc12
Show InChI InChI=1S/C21H23N7O6/c1-3-22-19(32)16-14(30)15(31)20(34-16)28-9-25-13-17(23-8-24-18(13)28)27-21(33)26-12-6-4-11(5-7-12)10(2)29/h4-9,14-16,20,30-31H,3H2,1-2H3,(H,22,32)(H2,23,24,26,27,33)/t14-,15+,16-,20+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
21n/an/an/an/an/an/an/an/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 A1


(Rattus norvegicus (rat))
BDBM50179022
PNG
(1-(2-chloro-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(Cl)nc12
Show InChI InChI=1S/C20H22ClN7O6/c1-3-22-17(31)14-12(29)13(30)18(34-14)28-8-23-11-15(25-19(21)27-16(11)28)26-20(32)24-9-4-6-10(33-2)7-5-9/h4-8,12-14,18,29-30H,3H2,1-2H3,(H,22,31)(H2,24,25,26,27,32)/t12-,13+,14-,18+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
22n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat brain membranes using [3H]R-PIA.


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 A2a and A3


(Rattus norvegicus)
BDBM50179023
PNG
(1-benzyl-3-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NCc3ccccc3)ncnc12
Show InChI InChI=1S/C20H23N7O5/c1-2-21-18(30)15-13(28)14(29)19(32-15)27-10-25-12-16(23-9-24-17(12)27)26-20(31)22-8-11-6-4-3-5-7-11/h3-7,9-10,13-15,19,28-29H,2,8H2,1H3,(H,21,30)(H2,22,23,24,26,31)/t13-,14+,15-,19+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
38n/an/an/an/an/an/an/an/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 A2a and A3


(Rattus norvegicus)
BDBM50179023
PNG
(1-benzyl-3-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NCc3ccccc3)ncnc12
Show InChI InChI=1S/C20H23N7O5/c1-2-21-18(30)15-13(28)14(29)19(32-15)27-10-25-12-16(23-9-24-17(12)27)26-20(31)22-8-11-6-4-3-5-7-11/h3-7,9-10,13-15,19,28-29H,2,8H2,1H3,(H,21,30)(H2,22,23,24,26,31)/t13-,14+,15-,19+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
38.3n/an/an/an/an/an/an/an/a



Vigo University

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1291-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.063
BindingDB Entry DOI: 10.7270/Q2959H4J
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50179030
PNG
((2S,3S,4R,5R)-3,4-Dihydroxy-5-(6-{3-[4-(pyridin-2-...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3ccccn3)ncnc12
Show InChI InChI=1S/C24H25N9O7S/c1-2-25-22(36)19-17(34)18(35)23(40-19)33-12-29-16-20(27-11-28-21(16)33)31-24(37)30-13-6-8-14(9-7-13)41(38,39)32-15-5-3-4-10-26-15/h3-12,17-19,23,34-35H,2H2,1H3,(H,25,36)(H,26,32)(H2,27,28,30,31,37)/t17-,18+,19-,23+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
54.1n/an/an/an/an/an/an/an/a



Vigo University

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1291-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.063
BindingDB Entry DOI: 10.7270/Q2959H4J
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50179030
PNG
((2S,3S,4R,5R)-3,4-Dihydroxy-5-(6-{3-[4-(pyridin-2-...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3ccccn3)ncnc12
Show InChI InChI=1S/C24H25N9O7S/c1-2-25-22(36)19-17(34)18(35)23(40-19)33-12-29-16-20(27-11-28-21(16)33)31-24(37)30-13-6-8-14(9-7-13)41(38,39)32-15-5-3-4-10-26-15/h3-12,17-19,23,34-35H,2H2,1H3,(H,25,36)(H,26,32)(H2,27,28,30,31,37)/t17-,18+,19-,23+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
54.1n/an/an/an/an/an/an/an/a



Experimental Sugar Cane Station"Villa Clara-Cienfuegos"

Curated by ChEMBL


Assay Description
Displacement of radioligand [125I]AB-MECA binding at rat A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 15: 3491-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.122
BindingDB Entry DOI: 10.7270/Q24Q7VRZ
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50179022
PNG
(1-(2-chloro-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(Cl)nc12
Show InChI InChI=1S/C20H22ClN7O6/c1-3-22-17(31)14-12(29)13(30)18(34-14)28-8-23-11-15(25-19(21)27-16(11)28)26-20(32)24-9-4-6-10(33-2)7-5-9/h4-8,12-14,18,29-30H,3H2,1-2H3,(H,22,31)(H2,24,25,26,27,32)/t12-,13+,14-,18+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
59n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor in rat striatal membranes using [3H]-CGS- 21680.


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 A1


(Rattus norvegicus (rat))
BDBM50179027
PNG
(1-(4-acetylphenyl)-3-(9-((2R,3R,4S,5S)-5-(ethylcar...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)C(C)=O)ncnc12
Show InChI InChI=1S/C21H23N7O6/c1-3-22-19(32)16-14(30)15(31)20(34-16)28-9-25-13-17(23-8-24-18(13)28)27-21(33)26-12-6-4-11(5-7-12)10(2)29/h4-9,14-16,20,30-31H,3H2,1-2H3,(H,22,32)(H2,23,24,26,27,33)/t14-,15+,16-,20+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
73n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat brain membranes using [3H]R-PIA.


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 A1


(Rattus norvegicus (rat))
BDBM50179036
PNG
(1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(nc12)C#CC(O)c1ccccc1
Show InChI InChI=1S/C29H29N7O7/c1-3-30-27(40)24-22(38)23(39)28(43-24)36-15-31-21-25(35-29(41)32-17-9-11-18(42-2)12-10-17)33-20(34-26(21)36)14-13-19(37)16-7-5-4-6-8-16/h4-12,15,19,22-24,28,37-39H,3H2,1-2H3,(H,30,40)(H2,32,33,34,35,41)/t19?,22-,23+,24-,28+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
75n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat brain membranes using [3H]R-PIA.


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 A1


(Rattus norvegicus (rat))
BDBM50179037
PNG
(1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NCCc3ccccc3)ncnc12
Show InChI InChI=1S/C21H25N7O5/c1-2-22-19(31)16-14(29)15(30)20(33-16)28-11-26-13-17(24-10-25-18(13)28)27-21(32)23-9-8-12-6-4-3-5-7-12/h3-7,10-11,14-16,20,29-30H,2,8-9H2,1H3,(H,22,31)(H2,23,24,25,27,32)/t14-,15+,16-,20+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
129n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat brain membranes using [3H]R-PIA.


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 A1


(Rattus norvegicus (rat))
BDBM50179039
PNG
(1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cc(C)on3)ncnc12
Show InChI InChI=1S/C17H20N8O6/c1-3-18-15(28)12-10(26)11(27)16(30-12)25-6-21-9-13(19-5-20-14(9)25)23-17(29)22-8-4-7(2)31-24-8/h4-6,10-12,16,26-27H,3H2,1-2H3,(H,18,28)(H2,19,20,22,23,24,29)/t10-,11+,12-,16+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
146n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat brain membranes using [3H]R-PIA.


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 A2a and A3


(Rattus norvegicus)
BDBM50179037
PNG
(1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NCCc3ccccc3)ncnc12
Show InChI InChI=1S/C21H25N7O5/c1-2-22-19(31)16-14(29)15(30)20(33-16)28-11-26-13-17(24-10-25-18(13)28)27-21(32)23-9-8-12-6-4-3-5-7-12/h3-7,10-11,14-16,20,29-30H,2,8-9H2,1H3,(H,22,31)(H2,23,24,25,27,32)/t14-,15+,16-,20+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
149n/an/an/an/an/an/an/an/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 A2a and A3


(Rattus norvegicus)
BDBM50179037
PNG
(1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NCCc3ccccc3)ncnc12
Show InChI InChI=1S/C21H25N7O5/c1-2-22-19(31)16-14(29)15(30)20(33-16)28-11-26-13-17(24-10-25-18(13)28)27-21(32)23-9-8-12-6-4-3-5-7-12/h3-7,10-11,14-16,20,29-30H,2,8-9H2,1H3,(H,22,31)(H2,23,24,25,27,32)/t14-,15+,16-,20+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
149n/an/an/an/an/an/an/an/a



Vigo University

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1291-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.063
BindingDB Entry DOI: 10.7270/Q2959H4J
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50179031
PNG
(1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(nc12)C#Cc1ccccc1
Show InChI InChI=1S/C28H27N7O6/c1-3-29-26(38)23-21(36)22(37)27(41-23)35-15-30-20-24(34-28(39)31-17-10-12-18(40-2)13-11-17)32-19(33-25(20)35)14-9-16-7-5-4-6-8-16/h4-8,10-13,15,21-23,27,36-37H,3H2,1-2H3,(H,29,38)(H2,31,32,33,34,39)/t21-,22+,23-,27+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
154n/an/an/an/an/an/an/an/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 A2a and A3


(Rattus norvegicus)
BDBM50179031
PNG
(1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(nc12)C#Cc1ccccc1
Show InChI InChI=1S/C28H27N7O6/c1-3-29-26(38)23-21(36)22(37)27(41-23)35-15-30-20-24(34-28(39)31-17-10-12-18(40-2)13-11-17)32-19(33-25(20)35)14-9-16-7-5-4-6-8-16/h4-8,10-13,15,21-23,27,36-37H,3H2,1-2H3,(H,29,38)(H2,31,32,33,34,39)/t21-,22+,23-,27+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
154n/an/an/an/an/an/an/an/a



Vigo University

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1291-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.063
BindingDB Entry DOI: 10.7270/Q2959H4J
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50179029
PNG
((2S,3S,4R,5R)-3,4-Dihydroxy-5-(6-{3-[4-(5-methyl-i...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3cc(C)on3)ncnc12
Show InChI InChI=1S/C23H25N9O8S/c1-3-24-21(35)18-16(33)17(34)22(39-18)32-10-27-15-19(25-9-26-20(15)32)29-23(36)28-12-4-6-13(7-5-12)41(37,38)31-14-8-11(2)40-30-14/h4-10,16-18,22,33-34H,3H2,1-2H3,(H,24,35)(H,30,31)(H2,25,26,28,29,36)/t16-,17+,18-,22+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
155n/an/an/an/an/an/an/an/a



Vigo University

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1291-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.063
BindingDB Entry DOI: 10.7270/Q2959H4J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50179023
PNG
(1-benzyl-3-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NCc3ccccc3)ncnc12
Show InChI InChI=1S/C20H23N7O5/c1-2-21-18(30)15-13(28)14(29)19(32-15)27-10-25-12-16(23-9-24-17(12)27)26-20(31)22-8-11-6-4-3-5-7-11/h3-7,9-10,13-15,19,28-29H,2,8H2,1H3,(H,21,30)(H2,22,23,24,26,31)/t13-,14+,15-,19+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
171n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat brain membranes using [3H]R-PIA.


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 A1


(Rattus norvegicus (rat))
BDBM50179040
PNG
(1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3nncs3)ncnc12
Show InChI InChI=1S/C15H17N9O5S/c1-2-16-12(27)9-7(25)8(26)13(29-9)24-4-19-6-10(17-3-18-11(6)24)21-14(28)22-15-23-20-5-30-15/h3-5,7-9,13,25-26H,2H2,1H3,(H,16,27)(H2,17,18,21,22,23,28)/t7-,8+,9-,13+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
208n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat brain membranes using [3H]R-PIA.


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 A2a and A3


(Rattus norvegicus)
BDBM50179034
PNG
(1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...)
Show SMILES CCCCC#Cc1nc(NC(=O)Nc2ccc(OC)cc2)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
Show InChI InChI=1S/C26H31N7O6/c1-4-6-7-8-9-17-30-22(32-26(37)29-15-10-12-16(38-3)13-11-15)18-23(31-17)33(14-28-18)25-20(35)19(34)21(39-25)24(36)27-5-2/h10-14,19-21,25,34-35H,4-7H2,1-3H3,(H,27,36)(H2,29,30,31,32,37)/t19-,20+,21-,25+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
211n/an/an/an/an/an/an/an/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 A2a and A3


(Rattus norvegicus)
BDBM50179034
PNG
(1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...)
Show SMILES CCCCC#Cc1nc(NC(=O)Nc2ccc(OC)cc2)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
Show InChI InChI=1S/C26H31N7O6/c1-4-6-7-8-9-17-30-22(32-26(37)29-15-10-12-16(38-3)13-11-15)18-23(31-17)33(14-28-18)25-20(35)19(34)21(39-25)24(36)27-5-2/h10-14,19-21,25,34-35H,4-7H2,1-3H3,(H,27,36)(H2,29,30,31,32,37)/t19-,20+,21-,25+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
211n/an/an/an/an/an/an/an/a



Vigo University

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1291-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.063
BindingDB Entry DOI: 10.7270/Q2959H4J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50179030
PNG
((2S,3S,4R,5R)-3,4-Dihydroxy-5-(6-{3-[4-(pyridin-2-...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3ccccn3)ncnc12
Show InChI InChI=1S/C24H25N9O7S/c1-2-25-22(36)19-17(34)18(35)23(40-19)33-12-29-16-20(27-11-28-21(16)33)31-24(37)30-13-6-8-14(9-7-13)41(38,39)32-15-5-3-4-10-26-15/h3-12,17-19,23,34-35H,2H2,1H3,(H,25,36)(H,26,32)(H2,27,28,30,31,37)/t17-,18+,19-,23+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
292n/an/an/an/an/an/an/an/a



Experimental Sugar Cane Station

Curated by ChEMBL


Assay Description
Inhibition of [3H]R-PIA binding to Adenosine A1 receptor from rat brain membrane


Bioorg Med Chem Lett 15: 2641-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.028
BindingDB Entry DOI: 10.7270/Q2Z60PTD
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50179026
PNG
(1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)N[C@@H](C)c3ccccc3)ncnc12
Show InChI InChI=1S/C21H25N7O5/c1-3-22-19(31)16-14(29)15(30)20(33-16)28-10-25-13-17(23-9-24-18(13)28)27-21(32)26-11(2)12-7-5-4-6-8-12/h4-11,14-16,20,29-30H,3H2,1-2H3,(H,22,31)(H2,23,24,26,27,32)/t11-,14-,15+,16-,20+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
319n/an/an/an/an/an/an/an/a



Vigo University

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1291-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.063
BindingDB Entry DOI: 10.7270/Q2959H4J
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50179026
PNG
(1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)N[C@@H](C)c3ccccc3)ncnc12
Show InChI InChI=1S/C21H25N7O5/c1-3-22-19(31)16-14(29)15(30)20(33-16)28-10-25-13-17(23-9-24-18(13)28)27-21(32)26-11(2)12-7-5-4-6-8-12/h4-11,14-16,20,29-30H,3H2,1-2H3,(H,22,31)(H2,23,24,26,27,32)/t11-,14-,15+,16-,20+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
319n/an/an/an/an/an/an/an/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 A2a and A3


(Rattus norvegicus)
BDBM50179036
PNG
(1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(nc12)C#CC(O)c1ccccc1
Show InChI InChI=1S/C29H29N7O7/c1-3-30-27(40)24-22(38)23(39)28(43-24)36-15-31-21-25(35-29(41)32-17-9-11-18(42-2)12-10-17)33-20(34-26(21)36)14-13-19(37)16-7-5-4-6-8-16/h4-12,15,19,22-24,28,37-39H,3H2,1-2H3,(H,30,40)(H2,32,33,34,35,41)/t19?,22-,23+,24-,28+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
324n/an/an/an/an/an/an/an/a



Vigo University

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1291-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.063
BindingDB Entry DOI: 10.7270/Q2959H4J
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50179036
PNG
(1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(nc12)C#CC(O)c1ccccc1
Show InChI InChI=1S/C29H29N7O7/c1-3-30-27(40)24-22(38)23(39)28(43-24)36-15-31-21-25(35-29(41)32-17-9-11-18(42-2)12-10-17)33-20(34-26(21)36)14-13-19(37)16-7-5-4-6-8-16/h4-12,15,19,22-24,28,37-39H,3H2,1-2H3,(H,30,40)(H2,32,33,34,35,41)/t19?,22-,23+,24-,28+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
324n/an/an/an/an/an/an/an/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 A1


(Rattus norvegicus (rat))
BDBM50179034
PNG
(1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...)
Show SMILES CCCCC#Cc1nc(NC(=O)Nc2ccc(OC)cc2)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
Show InChI InChI=1S/C26H31N7O6/c1-4-6-7-8-9-17-30-22(32-26(37)29-15-10-12-16(38-3)13-11-15)18-23(31-17)33(14-28-18)25-20(35)19(34)21(39-25)24(36)27-5-2/h10-14,19-21,25,34-35H,4-7H2,1-3H3,(H,27,36)(H2,29,30,31,32,37)/t19-,20+,21-,25+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
428n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat brain membranes using [3H]R-PIA.


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 A2a and A3


(Rattus norvegicus)
BDBM50179039
PNG
(1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cc(C)on3)ncnc12
Show InChI InChI=1S/C17H20N8O6/c1-3-18-15(28)12-10(26)11(27)16(30-12)25-6-21-9-13(19-5-20-14(9)25)23-17(29)22-8-4-7(2)31-24-8/h4-6,10-12,16,26-27H,3H2,1-2H3,(H,18,28)(H2,19,20,22,23,24,29)/t10-,11+,12-,16+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
532n/an/an/an/an/an/an/an/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 A2a and A3


(Rattus norvegicus)
BDBM50179039
PNG
(1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cc(C)on3)ncnc12
Show InChI InChI=1S/C17H20N8O6/c1-3-18-15(28)12-10(26)11(27)16(30-12)25-6-21-9-13(19-5-20-14(9)25)23-17(29)22-8-4-7(2)31-24-8/h4-6,10-12,16,26-27H,3H2,1-2H3,(H,18,28)(H2,19,20,22,23,24,29)/t10-,11+,12-,16+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
532n/an/an/an/an/an/an/an/a



Vigo University

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1291-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.063
BindingDB Entry DOI: 10.7270/Q2959H4J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50179026
PNG
(1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)N[C@@H](C)c3ccccc3)ncnc12
Show InChI InChI=1S/C21H25N7O5/c1-3-22-19(31)16-14(29)15(30)20(33-16)28-10-25-13-17(23-9-24-18(13)28)27-21(32)26-11(2)12-7-5-4-6-8-12/h4-11,14-16,20,29-30H,3H2,1-2H3,(H,22,31)(H2,23,24,26,27,32)/t11-,14-,15+,16-,20+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
537n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat brain membranes using [3H]R-PIA.


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 A2a and A3


(Rattus norvegicus)
BDBM50179028
PNG
(1-(3-chlorophenyl)-3-(9-((2R,3R,4S,5S)-5-(ethylcar...)
Show SMILES CCCCC#Cc1nc(NC(=O)Nc2cccc(Cl)c2)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
Show InChI InChI=1S/C25H28ClN7O5/c1-3-5-6-7-11-16-30-21(32-25(37)29-15-10-8-9-14(26)12-15)17-22(31-16)33(13-28-17)24-19(35)18(34)20(38-24)23(36)27-4-2/h8-10,12-13,18-20,24,34-35H,3-6H2,1-2H3,(H,27,36)(H2,29,30,31,32,37)/t18-,19+,20-,24+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
581n/an/an/an/an/an/an/an/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 A2a and A3


(Rattus norvegicus)
BDBM50179028
PNG
(1-(3-chlorophenyl)-3-(9-((2R,3R,4S,5S)-5-(ethylcar...)
Show SMILES CCCCC#Cc1nc(NC(=O)Nc2cccc(Cl)c2)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
Show InChI InChI=1S/C25H28ClN7O5/c1-3-5-6-7-11-16-30-21(32-25(37)29-15-10-8-9-14(26)12-15)17-22(31-16)33(13-28-17)24-19(35)18(34)20(38-24)23(36)27-4-2/h8-10,12-13,18-20,24,34-35H,3-6H2,1-2H3,(H,27,36)(H2,29,30,31,32,37)/t18-,19+,20-,24+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
581n/an/an/an/an/an/an/an/a



Vigo University

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1291-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.063
BindingDB Entry DOI: 10.7270/Q2959H4J
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50179032
PNG
(1-(3-chlorophenyl)-3-(9-((2R,3R,4S,5S)-5-(ethylcar...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Cl)c3)nc(nc12)C#CC(O)c1ccccc1
Show InChI InChI=1S/C28H26ClN7O6/c1-2-30-26(40)23-21(38)22(39)27(42-23)36-14-31-20-24(35-28(41)32-17-10-6-9-16(29)13-17)33-19(34-25(20)36)12-11-18(37)15-7-4-3-5-8-15/h3-10,13-14,18,21-23,27,37-39H,2H2,1H3,(H,30,40)(H2,32,33,34,35,41)/t18?,21-,22+,23-,27+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
696n/an/an/an/an/an/an/an/a



Vigo University

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1291-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.063
BindingDB Entry DOI: 10.7270/Q2959H4J
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50179032
PNG
(1-(3-chlorophenyl)-3-(9-((2R,3R,4S,5S)-5-(ethylcar...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Cl)c3)nc(nc12)C#CC(O)c1ccccc1
Show InChI InChI=1S/C28H26ClN7O6/c1-2-30-26(40)23-21(38)22(39)27(42-23)36-14-31-20-24(35-28(41)32-17-10-6-9-16(29)13-17)33-19(34-25(20)36)12-11-18(37)15-7-4-3-5-8-15/h3-10,13-14,18,21-23,27,37-39H,2H2,1H3,(H,30,40)(H2,32,33,34,35,41)/t18?,21-,22+,23-,27+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
696n/an/an/an/an/an/an/an/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 A1


(Rattus norvegicus (rat))
BDBM50179035
PNG
((2S,3S,4R,5R)-5-(6-{bis[(5-chloropyridin-2-yl)carb...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N(C(=O)Nc1ccc(Cl)cn1)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C24H22Cl2N10O6/c1-2-27-21(39)18-16(37)17(38)22(42-18)35-10-32-15-19(35)30-9-31-20(15)36(23(40)33-13-5-3-11(25)7-28-13)24(41)34-14-6-4-12(26)8-29-14/h3-10,16-18,22,37-38H,2H2,1H3,(H,27,39)(H,28,33,40)(H,29,34,41)/t16-,17+,18-,22+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
761n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat brain membranes using [3H]R-PIA.


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 Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50179035
PNG
((2S,3S,4R,5R)-5-(6-{bis[(5-chloropyridin-2-yl)carb...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N(C(=O)Nc1ccc(Cl)cn1)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C24H22Cl2N10O6/c1-2-27-21(39)18-16(37)17(38)22(42-18)35-10-32-15-19(35)30-9-31-20(15)36(23(40)33-13-5-3-11(25)7-28-13)24(41)34-14-6-4-12(26)8-29-14/h3-10,16-18,22,37-38H,2H2,1H3,(H,27,39)(H,28,33,40)(H,29,34,41)/t16-,17+,18-,22+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
799n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor in rat striatal membranes using [3H]-CGS- 21680.


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 A1


(Rattus norvegicus (rat))
BDBM50179032
PNG
(1-(3-chlorophenyl)-3-(9-((2R,3R,4S,5S)-5-(ethylcar...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Cl)c3)nc(nc12)C#CC(O)c1ccccc1
Show InChI InChI=1S/C28H26ClN7O6/c1-2-30-26(40)23-21(38)22(39)27(42-23)36-14-31-20-24(35-28(41)32-17-10-6-9-16(29)13-17)33-19(34-25(20)36)12-11-18(37)15-7-4-3-5-8-15/h3-10,13-14,18,21-23,27,37-39H,2H2,1H3,(H,30,40)(H2,32,33,34,35,41)/t18?,21-,22+,23-,27+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
814n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat brain membranes using [3H]R-PIA.


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 Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50179039
PNG
(1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cc(C)on3)ncnc12
Show InChI InChI=1S/C17H20N8O6/c1-3-18-15(28)12-10(26)11(27)16(30-12)25-6-21-9-13(19-5-20-14(9)25)23-17(29)22-8-4-7(2)31-24-8/h4-6,10-12,16,26-27H,3H2,1-2H3,(H,18,28)(H2,19,20,22,23,24,29)/t10-,11+,12-,16+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
884n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor in rat striatal membranes using [3H]-CGS- 21680.


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 Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50179040
PNG
(1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3nncs3)ncnc12
Show InChI InChI=1S/C15H17N9O5S/c1-2-16-12(27)9-7(25)8(26)13(29-9)24-4-19-6-10(17-3-18-11(6)24)21-14(28)22-15-23-20-5-30-15/h3-5,7-9,13,25-26H,2H2,1H3,(H,16,27)(H2,17,18,21,22,23,28)/t7-,8+,9-,13+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
917n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor in rat striatal membranes using [3H]-CGS- 21680.


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 Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50179027
PNG
(1-(4-acetylphenyl)-3-(9-((2R,3R,4S,5S)-5-(ethylcar...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)C(C)=O)ncnc12
Show InChI InChI=1S/C21H23N7O6/c1-3-22-19(32)16-14(30)15(31)20(34-16)28-9-25-13-17(23-8-24-18(13)28)27-21(33)26-12-6-4-11(5-7-12)10(2)29/h4-9,14-16,20,30-31H,3H2,1-2H3,(H,22,32)(H2,23,24,26,27,33)/t14-,15+,16-,20+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.05E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor in rat striatal membranes using [3H]-CGS- 21680.


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 Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50179023
PNG
(1-benzyl-3-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NCc3ccccc3)ncnc12
Show InChI InChI=1S/C20H23N7O5/c1-2-21-18(30)15-13(28)14(29)19(32-15)27-10-25-12-16(23-9-24-17(12)27)26-20(31)22-8-11-6-4-3-5-7-11/h3-7,9-10,13-15,19,28-29H,2,8H2,1H3,(H,21,30)(H2,22,23,24,26,31)/t13-,14+,15-,19+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.79E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor in rat striatal membranes using [3H]-CGS- 21680.


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 A1


(Rattus norvegicus (rat))
BDBM50179028
PNG
(1-(3-chlorophenyl)-3-(9-((2R,3R,4S,5S)-5-(ethylcar...)
Show SMILES CCCCC#Cc1nc(NC(=O)Nc2cccc(Cl)c2)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
Show InChI InChI=1S/C25H28ClN7O5/c1-3-5-6-7-11-16-30-21(32-25(37)29-15-10-8-9-14(26)12-15)17-22(31-16)33(13-28-17)24-19(35)18(34)20(38-24)23(36)27-4-2/h8-10,12-13,18-20,24,34-35H,3-6H2,1-2H3,(H,27,36)(H2,29,30,31,32,37)/t18-,19+,20-,24+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.04E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat brain membranes using [3H]R-PIA.


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 Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50179034
PNG
(1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...)
Show SMILES CCCCC#Cc1nc(NC(=O)Nc2ccc(OC)cc2)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1
Show InChI InChI=1S/C26H31N7O6/c1-4-6-7-8-9-17-30-22(32-26(37)29-15-10-12-16(38-3)13-11-15)18-23(31-17)33(14-28-18)25-20(35)19(34)21(39-25)24(36)27-5-2/h10-14,19-21,25,34-35H,4-7H2,1-3H3,(H,27,36)(H2,29,30,31,32,37)/t19-,20+,21-,25+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.33E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor in rat striatal membranes using [3H]-CGS- 21680.


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 Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50179037
PNG
(1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NCCc3ccccc3)ncnc12
Show InChI InChI=1S/C21H25N7O5/c1-2-22-19(31)16-14(29)15(30)20(33-16)28-11-26-13-17(24-10-25-18(13)28)27-21(32)23-9-8-12-6-4-3-5-7-12/h3-7,10-11,14-16,20,29-30H,2,8-9H2,1H3,(H,22,31)(H2,23,24,25,27,32)/t14-,15+,16-,20+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.65E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor in rat striatal membranes using [3H]-CGS- 21680.


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 Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50179026
PNG
(1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)N[C@@H](C)c3ccccc3)ncnc12
Show InChI InChI=1S/C21H25N7O5/c1-3-22-19(31)16-14(29)15(30)20(33-16)28-10-25-13-17(23-9-24-18(13)28)27-21(32)26-11(2)12-7-5-4-6-8-12/h4-11,14-16,20,29-30H,3H2,1-2H3,(H,22,31)(H2,23,24,26,27,32)/t11-,14-,15+,16-,20+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.97E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2A receptor in rat striatal membranes using [3H]-CGS- 21680.


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 A1


(Rattus norvegicus (rat))
BDBM50179031
PNG
(1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(nc12)C#Cc1ccccc1
Show InChI InChI=1S/C28H27N7O6/c1-3-29-26(38)23-21(36)22(37)27(41-23)35-15-30-20-24(34-28(39)31-17-10-12-18(40-2)13-11-17)32-19(33-25(20)35)14-9-16-7-5-4-6-8-16/h4-8,10-13,15,21-23,27,36-37H,3H2,1-2H3,(H,29,38)(H2,31,32,33,34,39)/t21-,22+,23-,27+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.79E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat brain membranes using [3H]R-PIA.


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 A2a and A3


(Rattus norvegicus)
BDBM50179040
PNG
(1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3nncs3)ncnc12
Show InChI InChI=1S/C15H17N9O5S/c1-2-16-12(27)9-7(25)8(26)13(29-9)24-4-19-6-10(17-3-18-11(6)24)21-14(28)22-15-23-20-5-30-15/h3-5,7-9,13,25-26H,2H2,1H3,(H,16,27)(H2,17,18,21,22,23,28)/t7-,8+,9-,13+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.55E+3n/an/an/an/an/an/an/an/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 A2a and A3


(Rattus norvegicus)
BDBM50179040
PNG
(1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3nncs3)ncnc12
Show InChI InChI=1S/C15H17N9O5S/c1-2-16-12(27)9-7(25)8(26)13(29-9)24-4-19-6-10(17-3-18-11(6)24)21-14(28)22-15-23-20-5-30-15/h3-5,7-9,13,25-26H,2H2,1H3,(H,16,27)(H2,17,18,21,22,23,28)/t7-,8+,9-,13+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.55E+3n/an/an/an/an/an/an/an/a



Vigo University

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1291-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.063
BindingDB Entry DOI: 10.7270/Q2959H4J
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 53 total )  |  Next  |  Last  >>