BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 25653 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor'   
Target
(Institution)
LigandTarget
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))
BDBM50318267
PNG
(4-methoxy-N-(2-methyl-6-phenyl-2H-pyrazolo[3,4-d]p...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(nc2nn(C)cc12)-c1ccccc1
Show InChI InChI=1S/C20H17N5O2/c1-25-12-16-18(23-20(26)14-8-10-15(27-2)11-9-14)21-17(22-19(16)24-25)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,21,22,23,24,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.0610n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A3 receptor in human U87MG cells assessed as inhibition of Cl-IB-MECA-mediated ERK1/2 phosphorylation after 30 mins ...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A1


(Homo sapiens (human))
BDBM50375517
PNG
(CHEMBL411245)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4C[C@@H]3C3SC43)ncnc12
Show InChI InChI=1S/C19H24N6O4S/c1-2-20-18(28)13-11(26)12(27)19(29-13)25-6-23-10-16(21-5-22-17(10)25)24-9-4-7-3-8(9)15-14(7)30-15/h5-9,11-15,19,26-27H,2-4H2,1H3,(H,20,28)(H,21,22,24)/t7-,8-,9-,11-,12+,13-,14?,15?,19+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.120n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A1 receptor assessed as inhibition of isoproterenol-stimulated cAMP accumulation in DDT1MF-2 cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50397727
PNG
(CHEMBL2181968)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(nc(NCCc3ccccc3)nc12)C(F)(F)F
Show InChI InChI=1S/C19H20F3N5O4/c20-19(21,22)15-12-16(26-18(25-15)23-7-6-10-4-2-1-3-5-10)27(9-24-12)17-14(30)13(29)11(8-28)31-17/h1-5,9,11,13-14,17,28-30H,6-8H2,(H,23,25,26)/t11-,13-,14-,17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 0.160n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as blockade of Cl-IB-MECA-mediated inhibition of forskolin-stimula...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50117222
PNG
(5-Butyl-8-(4-ethoxy-phenyl)-3H-[1,2,4]triazolo[5,1...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OCC)cc1
Show InChI InChI=1S/C18H20N6O/c1-3-5-6-14-21-17-15(19-11-20-17)18-22-16(23-24(14)18)12-7-9-13(10-8-12)25-4-2/h7-11H,3-6H2,1-2H3,(H,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.210n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells


J Med Chem 45: 3703-8 (2002)

More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50117214
PNG
(5-Butyl-8-(3-methoxy-phenyl)-3H-[1,2,4]triazolo[5,...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cccc(OC)c1
Show InChI InChI=1S/C17H18N6O/c1-3-4-8-13-20-16-14(18-10-19-16)17-21-15(22-23(13)17)11-6-5-7-12(9-11)24-2/h5-7,9-10H,3-4,8H2,1-2H3,(H,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.220n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells


J Med Chem 45: 3703-8 (2002)

More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50117234
PNG
(8-Phenyl-5-propyl-3H-[1,2,4]triazolo[5,1-i]purine ...)
Show SMILES CCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C15H14N6/c1-2-6-11-18-14-12(16-9-17-14)15-19-13(20-21(11)15)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H,16,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.230n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells


J Med Chem 45: 3703-8 (2002)

More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50117232
PNG
(5-Butyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine |...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C16H16N6/c1-2-3-9-12-19-15-13(17-10-18-15)16-20-14(21-22(12)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.25n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A3 receptor expressed in HEK-293 cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50117232
PNG
(5-Butyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine |...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C16H16N6/c1-2-3-9-12-19-15-13(17-10-18-15)16-20-14(21-22(12)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.25n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells


J Med Chem 45: 3703-8 (2002)

More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50117232
PNG
(5-Butyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine |...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C16H16N6/c1-2-3-9-12-19-15-13(17-10-18-15)16-20-14(21-22(12)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.25n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50117231
PNG
(5-Butyl-8-(4-fluoro-phenyl)-3H-[1,2,4]triazolo[5,1...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(F)cc1
Show InChI InChI=1S/C16H15FN6/c1-2-3-4-12-20-15-13(18-9-19-15)16-21-14(22-23(12)16)10-5-7-11(17)8-6-10/h5-9H,2-4H2,1H3,(H,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.25n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells


J Med Chem 45: 3703-8 (2002)

More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50117226
PNG
(5-Butyl-8-m-tolyl-3H-[1,2,4]triazolo[5,1-i]purine ...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cccc(C)c1
Show InChI InChI=1S/C17H18N6/c1-3-4-8-13-20-16-14(18-10-19-16)17-21-15(22-23(13)17)12-7-5-6-11(2)9-12/h5-7,9-10H,3-4,8H2,1-2H3,(H,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.270n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells


J Med Chem 45: 3703-8 (2002)

More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50117217
PNG
(5-Butyl-8-(2-chloro-phenyl)-3H-[1,2,4]triazolo[5,1...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1Cl
Show InChI InChI=1S/C16H15ClN6/c1-2-3-8-12-20-15-13(18-9-19-15)16-21-14(22-23(12)16)10-6-4-5-7-11(10)17/h4-7,9H,2-3,8H2,1H3,(H,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.290n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells


J Med Chem 45: 3703-8 (2002)

More data for this
Ligand-Target Pair
Adenosine Receptor A1


(Homo sapiens (human))
BDBM50375516
PNG
(CHEMBL258759)
Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4C[C@@H]3C3SC43)ncnc12
Show InChI InChI=1S/C17H20ClN5O3S/c18-3-9-11(24)12(25)17(26-9)23-5-21-10-15(19-4-20-16(10)23)22-8-2-6-1-7(8)14-13(6)27-14/h4-9,11-14,17,24-25H,1-3H2,(H,19,20,22)/t6-,7-,8-,9+,11+,12+,13?,14?,17+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A1 receptor assessed as inhibition of isoproterenol-stimulated cAMP accumulation in DDT1MF-2 cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM23617
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophe...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C17H17N5O6S/c23-5-11-13(24)14(25)17(28-11)21-8-20-12-15(21)18-7-19-16(12)29-6-9-1-3-10(4-2-9)22(26)27/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50117216
PNG
(5-Butyl-8-(4-propoxy-phenyl)-3H-[1,2,4]triazolo[5,...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OCCC)cc1
Show InChI InChI=1S/C19H22N6O/c1-3-5-6-15-22-18-16(20-12-21-18)19-23-17(24-25(15)19)13-7-9-14(10-8-13)26-11-4-2/h7-10,12H,3-6,11H2,1-2H3,(H,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells


J Med Chem 45: 3703-8 (2002)

More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50117228
PNG
(5-Pentyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine ...)
Show SMILES CCCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C17H18N6/c1-2-3-5-10-13-20-16-14(18-11-19-16)17-21-15(22-23(13)17)12-8-6-4-7-9-12/h4,6-9,11H,2-3,5,10H2,1H3,(H,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells


J Med Chem 45: 3703-8 (2002)

More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM25400
PNG
((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
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a 0.320n/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50117225
PNG
(5-Butyl-8-p-tolyl-3H-[1,2,4]triazolo[5,1-i]purine ...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(C)cc1
Show InChI InChI=1S/C17H18N6/c1-3-4-5-13-20-16-14(18-10-19-16)17-21-15(22-23(13)17)12-8-6-11(2)7-9-12/h6-10H,3-5H2,1-2H3,(H,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.330n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells


J Med Chem 45: 3703-8 (2002)

More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM25400
PNG
((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
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a 0.350n/an/an/an/an/an/a



University of Virginia School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A1 receptor of rat brain membranes without NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding


J Med Chem 31: 745-51 (1988)

More data for this
Ligand-Target Pair
Adenosine Receptor A1


(Homo sapiens (human))
BDBM50385957
PNG
(CHEMBL2042297)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(F)nc12
Show InChI InChI=1S/C12H15FN6O4/c1-2-15-10(22)7-5(20)6(21)11(23-7)19-3-16-4-8(14)17-12(13)18-9(4)19/h3,5-7,11,20-21H,2H2,1H3,(H,15,22)(H2,14,17,18)/t5-,6+,7-,11+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.360n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50316213
PNG
(4-((3-(2-(6-(2,2-diphenylethylamino)-9-((2R,3R,4S,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C(=O)NCCNC(=O)NCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C38H41N9O8/c1-2-39-34(50)30-28(48)29(49)36(55-30)47-21-44-27-31(42-20-26(23-9-5-3-6-10-23)24-11-7-4-8-12-24)45-32(46-33(27)47)35(51)40-17-18-41-38(54)43-19-22-13-15-25(16-14-22)37(52)53/h3-16,21,26,28-30,36,48-49H,2,17-20H2,1H3,(H,39,50)(H,40,51)(H,52,53)(H2,41,43,54)(H,42,45,46)/t28-,29+,30-,36+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

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



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A2A receptor in fMLP-stimulated human neutrophils assessed as inhibition of superoxide production by colorimetric analy...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2A


(Homo sapiens (human))
BDBM50150766
PNG
((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12
Show InChI InChI=1S/C21H26N10O4/c1-2-31-28-18(27-29-31)16-14(33)15(34)20(35-16)30-10-23-13-17(22)25-21(26-19(13)30)24-12(9-32)8-11-6-4-3-5-7-11/h3-7,10,12,14-16,20,32-34H,2,8-9H2,1H3,(H3,22,24,25,26)/t12-,14-,15+,16-,20+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at adenosine A2A receptor in human neutrophils assessed as inhibition of fMLP-induced reactive oxygen species release by chemilumine...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50020974
PNG
(8-(2-Amino-4-chloro-phenyl)-1,3-dimethyl-3,7-dihyd...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(Cl)cc1N
Show InChI InChI=1S/C13H12ClN5O2/c1-18-11-9(12(20)19(2)13(18)21)16-10(17-11)7-4-3-6(14)5-8(7)15/h3-5H,15H2,1-2H3,(H,16,17)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a 0.400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat brain membrane preparations using N6-[3H]-cyclohexyladenosine as a radioligand


J Med Chem 30: 91-6 (1987)

More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50018697
PNG
(CHEMBL3291310)
Show SMILES Nc1nc(nc2n(CC#C)c(nc12)-c1ccco1)C#CC1(O)CCCCC1
Show InChI InChI=1S/C20H19N5O2/c1-2-12-25-18(14-7-6-13-27-14)24-16-17(21)22-15(23-19(16)25)8-11-20(26)9-4-3-5-10-20/h1,6-7,13,26H,3-5,9-10,12H2,(H2,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Yamasa Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor in 5-HT-treated Wistar rat femoral vein assessed as inhibition of 2-octyn-1-yladenosine-induced vasodil...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50117238
PNG
(5-Butyl-8-(4-chloro-phenyl)-3H-[1,2,4]triazolo[5,1...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H15ClN6/c1-2-3-4-12-20-15-13(18-9-19-15)16-21-14(22-23(12)16)10-5-7-11(17)8-6-10/h5-9H,2-4H2,1H3,(H,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.410n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50117238
PNG
(5-Butyl-8-(4-chloro-phenyl)-3H-[1,2,4]triazolo[5,1...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H15ClN6/c1-2-3-4-12-20-15-13(18-9-19-15)16-21-14(22-23(12)16)10-5-7-11(17)8-6-10/h5-9H,2-4H2,1H3,(H,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.410n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells


J Med Chem 45: 3703-8 (2002)

More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50117237
PNG
(5,8-Diphenyl-3H-[1,2,4]triazolo[5,1-i]purine | CHE...)
Show SMILES c1nc2c(nc(-c3ccccc3)n3nc(nc23)-c2ccccc2)[nH]1
Show InChI InChI=1S/C18H12N6/c1-3-7-12(8-4-1)15-21-18-14-16(20-11-19-14)22-17(24(18)23-15)13-9-5-2-6-10-13/h1-11H,(H,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.410n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells


J Med Chem 45: 3703-8 (2002)

More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50095604
PNG
(4-[3-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetr...)
Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1
Show InChI InChI=1S/C24H30FN5O5S/c1-2-14-30-23(32)19-21(28-20(27-19)16-7-4-3-5-8-16)29(24(30)33)15-6-13-26-22(31)17-9-11-18(12-10-17)36(25,34)35/h9-12,16H,2-8,13-15H2,1H3,(H,26,31)(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.420n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ZM-241,385 binding to adenosine A2A receptor(AR).


J Med Chem 43: 4973-80 (2001)

More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50117220
PNG
(5-Ethyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine |...)
Show SMILES CCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C14H12N6/c1-2-10-17-13-11(15-8-16-13)14-18-12(19-20(10)14)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,15,16)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.450n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells


J Med Chem 45: 3703-8 (2002)

More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50018695
PNG
(CHEMBL3291308)
Show SMILES Nc1nc(nc2n(CC#C)c(Br)nc12)C#CC1(O)CCCCC1
Show InChI InChI=1S/C16H16BrN5O/c1-2-10-22-14-12(21-15(22)17)13(18)19-11(20-14)6-9-16(23)7-4-3-5-8-16/h1,23H,3-5,7-8,10H2,(H2,18,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Yamasa Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor in 5-HT-treated Wistar rat femoral vein assessed as inhibition of 2-octyn-1-yladenosine-induced vasodil...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50452317
PNG
(CHEMBL2094085)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H](CC)Cc3ccccc3)ncnc12
Show InChI InChI=1S/C22H28N6O4/c1-3-14(10-13-8-6-5-7-9-13)27-19-15-20(25-11-24-19)28(12-26-15)22-17(30)16(29)18(32-22)21(31)23-4-2/h5-9,11-12,14,16-18,22,29-30H,3-4,10H2,1-2H3,(H,23,31)(H,24,25,27)/t14-,16+,17-,18+,22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.520n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency against rat brain adenosine A1 receptor


J Med Chem 29: 1683-9 (1986)

More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50287703
PNG
((E)-1-[(S)-2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(...)
Show SMILES OCC[C@@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
n/an/a 0.560n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of adenosine induced negative inotropic activity against guinea-pig atria (Adenosine A1 receptor)


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50224352
PNG
(4-methoxy-N-(1-oxo-2-p-tolyl-1H-3,3,5,9b-tetraaza-...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc2ccccc2n2n1nc(-c1ccc(C)cc1)c2=O
Show InChI InChI=1S/C24H19N5O3/c1-15-7-9-16(10-8-15)21-23(31)28-20-6-4-3-5-19(20)25-24(29(28)27-21)26-22(30)17-11-13-18(32-2)14-12-17/h3-14H,1-2H3,(H,25,26,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.580n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A1


(Homo sapiens (human))
BDBM50327343
PNG
(2-(4-(8-fluoroquinoxalin-6-yl)-3-methyl-1-o-tolyl-...)
Show SMILES Cc1nn(c(Nc2ccccc2C(O)=O)c1-c1cc(F)c2nccnc2c1)-c1ccccc1C
Show InChI InChI=1S/C26H20FN5O2/c1-15-7-3-6-10-22(15)32-25(30-20-9-5-4-8-18(20)26(33)34)23(16(2)31-32)17-13-19(27)24-21(14-17)28-11-12-29-24/h3-14,30H,1-2H3,(H,33,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Bayer Schering Pharma AG

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A1 receptor by cAMP assay


Citation and Details
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

Similars

AffyNet 
PubMed
n/an/a 0.610n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 from human Adenosine A3 receptor expressed in HEK-293 cells at 10000 nM


J Med Chem 45: 3703-8 (2002)

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

Similars

AffyNet 
Article
PubMed
n/an/a 0.610n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A3 receptor expressed in HEK-293 cells


Citation and Details
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

Similars

AffyNet 
Article
PubMed
n/an/a 0.610n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as blockade of Cl-IB-MECA-mediated inhibition of forskolin-stimula...


Citation and Details
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

Similars

AffyNet 
Article
PubMed
n/an/a 0.610n/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK-293 cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50117221
PNG
(5-Hexyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine |...)
Show SMILES CCCCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C18H20N6/c1-2-3-4-8-11-14-21-17-15(19-12-20-17)18-22-16(23-24(14)18)13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3,(H,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.610n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells


J Med Chem 45: 3703-8 (2002)

More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50452315
PNG
(CHEMBL2094086)
Show SMILES CC[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O
Show InChI InChI=1S/C20H23N5O5/c1-2-12(8-11-6-4-3-5-7-11)24-17-13-18(22-9-21-17)25(10-23-13)19-15(27)14(26)16(30-19)20(28)29/h3-7,9-10,12,14-16,19,26-27H,2,8H2,1H3,(H,28,29)(H,21,22,24)/t12-,14+,15-,16+,19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.620n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency against rat brain adenosine A1 receptor


J Med Chem 29: 1683-9 (1986)

More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 0.660n/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.660n/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50117239
PNG
(CHEMBL123462 | [4-(5-Butyl-3H-[1,2,4]triazolo[5,1-...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C18H21N7/c1-4-5-6-14-21-17-15(19-11-20-17)18-22-16(23-25(14)18)12-7-9-13(10-8-12)24(2)3/h7-11H,4-6H2,1-3H3,(H,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.670n/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells


J Med Chem 45: 3703-8 (2002)

More data for this
Ligand-Target Pair
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

Similars

AffyNet 
PubMed
n/an/a 0.700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Adenosine A3 receptor expressed in CHO cells


J Med Chem 45: 3579-82 (2002)

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


Similars

AffyNet 
Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as blockade of Cl-IB-MECA-mediated inhibition of forskolin-stimula...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A3


(Homo sapiens (human))
BDBM50318268
PNG
(CHEMBL1096754 | N-(2-methyl-6-phenyl-2H-pyrazolo[3...)
Show SMILES Cn1cc2c(NC(=O)c3ccccc3)nc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C19H15N5O/c1-24-12-15-17(22-19(25)14-10-6-3-7-11-14)20-16(21-18(15)23-24)13-8-4-2-5-9-13/h2-12H,1H3,(H,20,21,22,23,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.740n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A3 receptor in human U87MG cells assessed as inhibition of Cl-IB-MECA-mediated ERK1/2 phosphorylation after 30 mins ...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50020969
PNG
(1,3-Dimethyl-8-p-tolyl-3,7-dihydro-purine-2,6-dion...)
Show SMILES Cc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C14H14N4O2/c1-8-4-6-9(7-5-8)11-15-10-12(16-11)17(2)14(20)18(3)13(10)19/h4-7H,1-3H3,(H,15,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a 0.800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat brain membrane preparations using N6-[3H]-cyclohexyladenosine as a radioligand


J Med Chem 30: 91-6 (1987)

More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50020988
PNG
(8-(4-Chloro-phenyl)-1,3-dimethyl-3,7-dihydro-purin...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H11ClN4O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-3-5-8(14)6-4-7/h3-6H,1-2H3,(H,15,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a 0.800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat brain membrane preparations using N6-[3H]-cyclohexyladenosine as a radioligand


J Med Chem 30: 91-6 (1987)

More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50009552
PNG
(2-[6-Amino-2-(2-morpholin-4-yl-ethylamino)-purin-9...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12
Show InChI InChI=1S/C16H23N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h7-10,12-13,16,22-24H,1-6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.850n/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50367385
PNG
(CHEMBL605863)
Show SMILES O[C@H]1[C@@H](O)C(O[C@@H]1C(O)=O)n1cnc2c(NC3CCCCC3)ncnc12
Show InChI InChI=1S/C16H21N5O5/c22-10-11(23)15(26-12(10)16(24)25)21-7-19-9-13(17-6-18-14(9)21)20-8-4-2-1-3-5-8/h6-8,10-12,15,22-23H,1-5H2,(H,24,25)(H,17,18,20)/t10-,11+,12-,15?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.860n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency against rat brain adenosine A1 receptor


J Med Chem 29: 1683-9 (1986)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 25653 total )  |  Next  |  Last  >>
Jump to: