new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2730 hits with Last Name = 'preti' and Initial = 'd'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50117108
PNG
(4-[3-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1cc[nH+]cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27)/p+1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0100n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50117109
PNG
(1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.0100n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50117109
PNG
(1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccncc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C17H13N9O2/c1-25-9-11-13(23-25)21-16(22-17(27)19-10-4-6-18-7-5-10)26-15(11)20-14(24-26)12-3-2-8-28-12/h2-9H,1H3,(H2,18,19,21,22,23,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.0400n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50397717
PNG
(CHEMBL2181965)
Show SMILES CCCn1c2nc(nc2c2NCCn2c1=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C16H16BrN5O/c1-2-8-21-15-12(14-18-7-9-22(14)16(21)23)19-13(20-15)10-3-5-11(17)6-4-10/h3-6,18H,2,7-9H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM85618
PNG
(CHEMBL302765 | J1.251.181G | MRE 3008F20)
Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.290n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter


J Med Chem 55: 5380-90 (2012)


Article DOI: 10.1021/jm300323t
BindingDB Entry DOI: 10.7270/Q2CN7509
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM85618
PNG
(CHEMBL302765 | J1.251.181G | MRE 3008F20)
Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.290n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


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


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50163020
PNG
((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-chlo...)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 |r|
Show InChI InChI=1S/C20H20Cl2N6O3/c1-23-18(31)20-6-11(20)13(14(29)15(20)30)28-8-25-12-16(26-19(22)27-17(12)28)24-7-9-3-2-4-10(21)5-9/h2-5,8,11,13-15,29-30H,6-7H2,1H3,(H,23,31)(H,24,26,27)/t11-,13-,14+,15+,20+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.290n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50395162
PNG
(CHEMBL2163935)
Show SMILES CCCC1COc2cccc3c2n1cc(C(=O)NC1CCCCC1)c3=O
Show InChI InChI=1S/C21H26N2O3/c1-2-7-15-13-26-18-11-6-10-16-19(18)23(15)12-17(20(16)24)21(25)22-14-8-4-3-5-9-14/h6,10-12,14-15H,2-5,7-9,13H2,1H3,(H,22,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.320n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cell membranes incubated for 60 mins by scintillation counting


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM21221
PNG
((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.330n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human rat adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50397728
PNG
(CHEMBL2181976)
Show SMILES Cc1cc(C)cc(c1)-c1nc(NC(=O)c2cccnc2)sc1-c1ccncc1
Show InChI InChI=1S/C22H18N4OS/c1-14-10-15(2)12-18(11-14)19-20(16-5-8-23-9-6-16)28-22(25-19)26-21(27)17-4-3-7-24-13-17/h3-13H,1-2H3,(H,25,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.360n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50268107
PNG
(CHEMBL485862 | CHEMBL500634 | N-(2-(2-phenyl-6-(4-...)
Show SMILES CC(=O)NCCNc1nc(nc2[nH]c(cc12)C(=O)N1CCN(CCCc2ccccc2)CC1)-c1ccccc1
Show InChI InChI=1S/C30H35N7O2/c1-22(38)31-14-15-32-28-25-21-26(33-29(25)35-27(34-28)24-12-6-3-7-13-24)30(39)37-19-17-36(18-20-37)16-8-11-23-9-4-2-5-10-23/h2-7,9-10,12-13,21H,8,11,14-20H2,1H3,(H,31,38)(H2,32,33,34,35)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.400n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2B receptor


J Med Chem 55: 797-811 (2012)


Article DOI: 10.1021/jm201292w
BindingDB Entry DOI: 10.7270/Q2862GXT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50308505
PNG
(CHEMBL589080 | N-[5-pyridin-4-yl-4-(3,4,5-trimetho...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(NC(C)=O)sc1-c1ccncc1
Show InChI InChI=1S/C19H19N3O4S/c1-11(23)21-19-22-16(18(27-19)12-5-7-20-8-6-12)13-9-14(24-2)17(26-4)15(10-13)25-3/h5-10H,1-4H3,(H,21,22,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.410n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50364063
PNG
(CHEMBL1950649)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC[C@H]1CC[C@@H](CC1)C(=O)OC |r,wU:7.12,5.4,28.34,wD:8.8,10.11,25.27,(-2.37,-48.53,;-1.04,-49.31,;.3,-48.55,;1.62,-49.33,;1.61,-50.87,;2.93,-48.59,;2.94,-47.1,;4.43,-46.64,;5.27,-47.83,;6.72,-47.84,;4.37,-49.06,;4.85,-50.53,;4.89,-45.21,;3.96,-43.88,;4.91,-42.6,;6.23,-43.05,;7.53,-42.29,;7.52,-40.78,;8.97,-43.12,;8.97,-44.75,;7.59,-45.54,;6.24,-44.75,;10.31,-45.52,;11.64,-46.29,;12.97,-47.06,;14.3,-46.29,;15.63,-47.07,;16.96,-46.31,;16.97,-44.77,;15.64,-43.99,;14.3,-44.76,;18.31,-44,;18.32,-42.46,;19.64,-44.78,;20.98,-44.02,)|
Show InChI InChI=1S/C23H30N6O6/c1-3-25-21(32)18-16(30)17(31)22(35-18)29-11-26-15-19(24)27-14(28-20(15)29)6-4-5-12-7-9-13(10-8-12)23(33)34-2/h11-13,16-18,22,30-31H,3,5,7-10H2,1-2H3,(H,25,32)(H2,24,27,28)/t12-,13-,16-,17+,18-,22+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2A receptor


J Med Chem 58: 3253-67 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00215
BindingDB Entry DOI: 10.7270/Q2X068RF
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50053929
PNG
(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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.590n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50397729
PNG
(CHEMBL2181975)
Show SMILES COc1ccc(cc1)-c1nsc(NC(C)=O)n1
Show InChI InChI=1S/C11H11N3O2S/c1-7(15)12-11-13-10(14-17-11)8-3-5-9(16-2)6-4-8/h3-6H,1-2H3,(H,12,13,14,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.790n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50189814
PNG
(CHEMBL211862 | N-(2-(4-methoxyphenyl)-6-nitro-1-ox...)
Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)C(c3ccccc3)c3ccccc3)nc3c(cccc3n2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C30H22N6O5/c1-41-22-17-15-21(16-18-22)35-30(38)34-23-13-8-14-24(36(39)40)26(23)31-27(28(34)33-35)32-29(37)25(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-18,25H,1H3,(H,31,32,37)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50170132
PNG
(1-Benzyl-7-methyl-3-propyl-1H,8H-imidazo[2,1-f]pur...)
Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)cn3c2c1=O
Show InChI InChI=1S/C18H19N5O2/c1-3-9-21-16(24)14-15(20-17-19-12(2)10-22(14)17)23(18(21)25)11-13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3,(H,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50170132
PNG
(1-Benzyl-7-methyl-3-propyl-1H,8H-imidazo[2,1-f]pur...)
Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)cn3c2c1=O
Show InChI InChI=1S/C18H19N5O2/c1-3-9-21-16(24)14-15(20-17-19-12(2)10-22(14)17)23(18(21)25)11-13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3,(H,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008F20 from human cloned adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 16: 10281-94 (2008)


Article DOI: 10.1016/j.bmc.2008.10.049
BindingDB Entry DOI: 10.7270/Q2CZ3715
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50170132
PNG
(1-Benzyl-7-methyl-3-propyl-1H,8H-imidazo[2,1-f]pur...)
Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3[nH]c(C)cn3c2c1=O
Show InChI InChI=1S/C18H19N5O2/c1-3-9-21-16(24)14-15(20-17-19-12(2)10-22(14)17)23(18(21)25)11-13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3,(H,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of [3H]-MRE3008-F20 binding to human adenosine A3 receptor expressed in CHO cells; range is 0.6 to 0.9 nM


J Med Chem 48: 4697-701 (2005)


Article DOI: 10.1021/jm058008c
BindingDB Entry DOI: 10.7270/Q2MC8ZJS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50395178
PNG
(CHEMBL2163950)
Show SMILES O=C(NC1CCCCCC1)c1cn2C(COc3cccc(c23)c1=O)c1ccccc1
Show InChI InChI=1S/C25H26N2O3/c28-24-19-13-8-14-22-23(19)27(21(16-30-22)17-9-4-3-5-10-17)15-20(24)25(29)26-18-11-6-1-2-7-12-18/h3-5,8-10,13-15,18,21H,1-2,6-7,11-12,16H2,(H,26,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.810n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cell membranes incubated for 60 mins by scintillation counting


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50163010
PNG
((2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-(2-phenyl-cyclo...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3c3ccccc3)ncnc12
Show InChI InChI=1S/C19H21N5O4/c25-7-13-15(26)16(27)19(28-13)24-9-22-14-17(20-8-21-18(14)24)23-12-6-11(12)10-4-2-1-3-5-10/h1-5,8-9,11-13,15-16,19,25-27H,6-7H2,(H,20,21,23)/t11?,12?,13-,15-,16-,19-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.860n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50397724
PNG
(CHEMBL2181971)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3c4ccccc4-c4ccccc34)ncnc12 |r|
Show InChI InChI=1S/C24H23N5O4/c30-10-18-20(31)21(32)24(33-18)29-12-28-19-22(26-11-27-23(19)29)25-9-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,11-12,17-18,20-21,24,30-32H,9-10H2,(H,25,26,27)/t18-,20-,21-,24-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.910n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50117215
PNG
(5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H15F3N6/c1-2-3-4-12-23-15-13(21-9-22-15)16-24-14(25-26(12)16)10-5-7-11(8-6-10)17(18,19)20/h5-9H,2-4H2,1H3,(H,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.950n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50163020
PNG
((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-chlo...)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 |r|
Show InChI InChI=1S/C20H20Cl2N6O3/c1-23-18(31)20-6-11(20)13(14(29)15(20)30)28-8-25-12-16(26-19(22)27-17(12)28)24-7-9-3-2-4-10(21)5-9/h2-5,8,11,13-15,29-30H,6-7H2,1H3,(H,23,31)(H,24,26,27)/t11-,13-,14+,15+,20+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human rat adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50118812
PNG
((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
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human rat adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50426083
PNG
(CHEMBL2316284)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(C)csc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C24H32N2O2S/c1-3-4-5-6-26-13-19(21(27)20-15(2)14-29-23(20)26)22(28)25-24-10-16-7-17(11-24)9-18(8-16)12-24/h13-14,16-18H,3-12H2,1-2H3,(H,25,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor expressed in CHO cell membranes after 60 mins by scintillation counting analysis


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50048466
PNG
(2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...)
Show SMILES Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50118812
PNG
((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

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA binding to Adenosine A3 receptor expressed in CHO cells


J Med Chem 47: 5535-40 (2004)


Article DOI: 10.1021/jm0408161
BindingDB Entry DOI: 10.7270/Q23F4QDM
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50051241
PNG
(2-(furan-2-yl)-7-(3-phenylpropyl)-7H-pyrazolo[4,3-...)
Show SMILES Nc1nc2n(CCCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H17N7O/c20-19-23-17-14(18-22-16(24-26(18)19)15-9-5-11-27-15)12-21-25(17)10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 20: 1046-59 (2012)


Article DOI: 10.1016/j.bmc.2011.11.037
BindingDB Entry DOI: 10.7270/Q26M3789
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50125912
PNG
(2-Furan-2-yl-8-methyl-9-methylsulfanyl-8H-pyrazolo...)
Show SMILES CSc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C12H11N7OS/c1-18-11(21-2)7-9(16-18)15-12(13)19-10(7)14-8(17-19)6-4-3-5-20-6/h3-5H,1-2H3,(H2,13,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- SCH-58261 binding at human Adenosine A2A receptor expressed in CHO cells


J Med Chem 46: 1229-41 (2003)


Article DOI: 10.1021/jm021023m
BindingDB Entry DOI: 10.7270/Q28916KP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50395140
PNG
(CHEMBL2163926)
Show SMILES CC(C)[C@@H]1COc2cccc3c2n1cc(C(=O)NC12CC4CC(CC(C4)C1)C2)c3=O |r,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24|
Show InChI InChI=1S/C25H30N2O3/c1-14(2)20-13-30-21-5-3-4-18-22(21)27(20)12-19(23(18)28)24(29)26-25-9-15-6-16(10-25)8-17(7-15)11-25/h3-5,12,14-17,20H,6-11,13H2,1-2H3,(H,26,29)/t15?,16?,17?,20-,25?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.24n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cell membranes incubated for 60 mins by scintillation counting


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50426083
PNG
(CHEMBL2316284)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(C)csc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C24H32N2O2S/c1-3-4-5-6-26-13-19(21(27)20-15(2)14-29-23(20)26)22(28)25-24-10-16-7-17(11-24)9-18(8-16)12-24/h13-14,16-18H,3-12H2,1-2H3,(H,25,28)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from Sprague-Dawley rat spleen CB2 receptor by scintillation counting analysis


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50348154
PNG
(CHEMBL1800783)
Show SMILES CC[C@@H]1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(OC)nn1C |r|
Show InChI InChI=1S/C17H21N7O2/c1-5-7-23-16-13(15-18-10(6-2)9-24(15)17(23)25)19-14(20-16)11-8-12(26-4)21-22(11)3/h5,8,10,18H,1,6-7,9H2,2-4H3/t10-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.46n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation spectrometry


J Med Chem 54: 5205-20 (2011)


Article DOI: 10.1021/jm2004738
BindingDB Entry DOI: 10.7270/Q21N81G6
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50397728
PNG
(CHEMBL2181976)
Show SMILES Cc1cc(C)cc(c1)-c1nc(NC(=O)c2cccnc2)sc1-c1ccncc1
Show InChI InChI=1S/C22H18N4OS/c1-14-10-15(2)12-18(11-14)19-20(16-5-8-23-9-6-16)28-22(25-19)26-21(27)17-4-3-7-24-13-17/h3-13H,1-2H3,(H,25,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.60n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human rat adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50395140
PNG
(CHEMBL2163926)
Show SMILES CC(C)[C@@H]1COc2cccc3c2n1cc(C(=O)NC12CC4CC(CC(C4)C1)C2)c3=O |r,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24|
Show InChI InChI=1S/C25H30N2O3/c1-14(2)20-13-30-21-5-3-4-18-22(21)27(20)12-19(23(18)28)24(29)26-25-9-15-6-16(10-25)8-17(7-15)11-25/h3-5,12,14-17,20H,6-11,13H2,1-2H3,(H,26,29)/t15?,16?,17?,20-,25?/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.75n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor in Sprague-Dawley rat spleen by scintillation counting


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50395162
PNG
(CHEMBL2163935)
Show SMILES CCCC1COc2cccc3c2n1cc(C(=O)NC1CCCCC1)c3=O
Show InChI InChI=1S/C21H26N2O3/c1-2-7-15-13-26-18-11-6-10-16-19(18)23(15)12-17(20(16)24)21(25)22-14-8-4-3-5-9-14/h6,10-12,14-15H,2-5,7-9,13H2,1H3,(H,22,25)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.84n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor in Sprague-Dawley rat spleen by scintillation counting


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50397716
PNG
(CHEMBL2181970)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3C[C@H]3c3cccc(c3)C(F)(F)F)ncnc12 |r|
Show InChI InChI=1S/C20H20F3N5O4/c21-20(22,23)10-3-1-2-9(4-10)11-5-12(11)27-17-14-18(25-7-24-17)28(8-26-14)19-16(31)15(30)13(6-29)32-19/h1-4,7-8,11-13,15-16,19,29-31H,5-6H2,(H,24,25,27)/t11-,12+,13+,15+,16+,19+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.90n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50348163
PNG
(CHEMBL1800862)
Show SMILES CCC1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(OC)no1
Show InChI InChI=1S/C16H18N6O3/c1-4-6-21-15-12(14-17-9(5-2)8-22(14)16(21)23)18-13(19-15)10-7-11(24-3)20-25-10/h4,7,9,17H,1,5-6,8H2,2-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.93n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation spectrometry


J Med Chem 54: 5205-20 (2011)


Article DOI: 10.1021/jm2004738
BindingDB Entry DOI: 10.7270/Q21N81G6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50348153
PNG
(CHEMBL1800782)
Show SMILES CCC1Cn2c(N1)c1nc(nc1n(CC=C)c2=O)-c1cc(OC)nn1C
Show InChI InChI=1S/C17H21N7O2/c1-5-7-23-16-13(15-18-10(6-2)9-24(15)17(23)25)19-14(20-16)11-8-12(26-4)21-22(11)3/h5,8,10,18H,1,6-7,9H2,2-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.96n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation spectrometry


J Med Chem 54: 5205-20 (2011)


Article DOI: 10.1021/jm2004738
BindingDB Entry DOI: 10.7270/Q21N81G6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50196564
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(methylamino)...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccccn1
Show InChI InChI=1S/C19H20N8O4/c1-20-16-13-17(26(9-22-13)18-15(30)14(29)12(8-28)31-18)25-19(24-16)27-7-10(6-23-27)11-4-2-3-5-21-11/h2-7,9,12,14-15,18,28-30H,8H2,1H3,(H,20,24,25)/t12-,14-,15-,18-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50086170
PNG
((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2B receptor


J Med Chem 55: 797-811 (2012)


Article DOI: 10.1021/jm201292w
BindingDB Entry DOI: 10.7270/Q2862GXT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50039951
PNG
(2-(4-Methoxy-phenyl)-5H-[1,2,4]triazolo[1,5-a]quin...)
Show SMILES COc1ccc(cc1)-c1nc2n(n1)c1ccccc1[nH]c2=O
Show InChI InChI=1S/C16H12N4O2/c1-22-11-8-6-10(7-9-11)14-18-15-16(21)17-12-4-2-3-5-13(12)20(15)19-14/h2-9H,1H3,(H,17,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50125929
PNG
(2-(furan-2-yl)-8-methyl-9-(propylthio)-8H-pyrazolo...)
Show SMILES CCCSc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccco1
Show InChI InChI=1S/C14H15N7OS/c1-3-7-23-13-9-11(18-20(13)2)17-14(15)21-12(9)16-10(19-21)8-5-4-6-22-8/h4-6H,3,7H2,1-2H3,(H2,15,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in CHO cells


J Med Chem 46: 1229-41 (2003)


Article DOI: 10.1021/jm021023m
BindingDB Entry DOI: 10.7270/Q28916KP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM21221
PNG
((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.20n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50397723
PNG
(CHEMBL2181964)
Show SMILES COc1ccn2c(c1)nc1n(Cc3ccc(C)cc3)c(=O)n(CC3CC3)c(=O)c21
Show InChI InChI=1S/C22H22N4O3/c1-14-3-5-15(6-4-14)12-25-20-19(21(27)26(22(25)28)13-16-7-8-16)24-10-9-17(29-2)11-18(24)23-20/h3-6,9-11,16H,7-8,12-13H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.20n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50348174
PNG
(CHEMBL1625681)
Show SMILES CC[C@@H]1Cn2c(N1)c1nc(nc1n(C)c2=O)-c1ccccc1
Show InChI InChI=1S/C16H17N5O/c1-3-11-9-21-15(17-11)12-14(20(2)16(21)22)19-13(18-12)10-7-5-4-6-8-10/h4-8,11,17H,3,9H2,1-2H3/t11-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.30n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant A3 adenosine receptor by radioligand binding assay


J Med Chem 54: 5205-20 (2011)


Article DOI: 10.1021/jm2004738
BindingDB Entry DOI: 10.7270/Q21N81G6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50205585
PNG
((2S,3S,4R,5R)-N-ethyl-5-(6-(4-(2-(4-fluorophenylam...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)ncnc12
Show InChI InChI=1S/C26H26FN7O6/c1-2-28-25(38)22-20(36)21(37)26(40-22)34-13-31-19-23(29-12-30-24(19)34)33-16-7-9-17(10-8-16)39-11-18(35)32-15-5-3-14(27)4-6-15/h3-10,12-13,20-22,26,36-37H,2,11H2,1H3,(H,28,38)(H,32,35)(H,29,30,33)/t20-,21+,22-,26+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.30n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem 15: 2514-27 (2007)


Article DOI: 10.1016/j.bmc.2007.01.055
BindingDB Entry DOI: 10.7270/Q2R78G14
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50348174
PNG
(CHEMBL1625681)
Show SMILES CC[C@@H]1Cn2c(N1)c1nc(nc1n(C)c2=O)-c1ccccc1
Show InChI InChI=1S/C16H17N5O/c1-3-11-9-21-15(17-11)12-14(20(2)16(21)22)19-13(18-12)10-7-5-4-6-8-10/h4-8,11,17H,3,9H2,1-2H3/t11-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.30n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50048466
PNG
(2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...)
Show SMILES Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.30n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 21680 from rat striatal membrane Adenosine A2A receptor


J Med Chem 46: 1229-41 (2003)


Article DOI: 10.1021/jm021023m
BindingDB Entry DOI: 10.7270/Q28916KP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50395161
PNG
(CHEMBL2163937)
Show SMILES CCCC1COc2cccc3c2n1cc(C(=O)NC12CC4CC(CC(C4)C1)C2)c3=O |THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24|
Show InChI InChI=1S/C25H30N2O3/c1-2-4-18-14-30-21-6-3-5-19-22(21)27(18)13-20(23(19)28)24(29)26-25-10-15-7-16(11-25)9-17(8-15)12-25/h3,5-6,13,15-18H,2,4,7-12,14H2,1H3,(H,26,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.34n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cell membranes incubated for 60 mins by scintillation counting


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 2730 total )  |  Next  |  Last  >>
Jump to: