BindingDB logo
myBDB logout

PubMed code 26638043

Compile data set for download or QSAR
Found 66 hits of Enzyme Inhibition Constant Data   
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))		BDBM50138568
PNG
(CHEMBL3754229)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1
Show InChI InChI=1S/C23H17N5O2S/c1-30-17-11-9-15(10-12-17)23(29)26-22-20-18(24-21(25-22)19-8-5-13-31-19)14-28(27-20)16-6-3-2-4-7-16/h2-14H,1H3,(H,24,25,26,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.0270n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138715
PNG
(CHEMBL3753642)
Show SMILES O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1cccnc1
Show InChI InChI=1S/C21H14N6OS/c28-21(14-6-4-10-22-12-14)25-20-18-16(23-19(24-20)17-9-5-11-29-17)13-27(26-18)15-7-2-1-3-8-15/h1-13H,(H,23,24,25,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 0.410n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138719
PNG
(CHEMBL3753544)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccc(OC)cc1
Show InChI InChI=1S/C26H21N5O3/c1-33-20-12-8-17(9-13-20)24-27-22-16-31(19-6-4-3-5-7-19)30-23(22)25(28-24)29-26(32)18-10-14-21(34-2)15-11-18/h3-16H,1-2H3,(H,27,28,29,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138721
PNG
(CHEMBL3753976)
Show SMILES O=C(N(C(=O)c1ccco1)c1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1ccco1
Show InChI InChI=1S/C25H15N5O4S/c31-24(18-9-4-12-33-18)30(25(32)19-10-5-13-34-19)23-21-17(26-22(27-23)20-11-6-14-35-20)15-29(28-21)16-7-2-1-3-8-16/h1-15H
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents
Article
PubMed
 1.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138498
PNG
(CHEMBL3752840)
Show SMILES O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1ccccc1
Show InChI InChI=1S/C22H15N5OS/c28-22(15-8-3-1-4-9-15)25-21-19-17(23-20(24-21)18-12-7-13-29-18)14-27(26-19)16-10-5-2-6-11-16/h1-14H,(H,23,24,25,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents
Article
PubMed
 2.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138713
PNG
(CHEMBL3751978)
Show SMILES O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1ccco1
Show InChI InChI=1S/C20H13N5O2S/c26-20(15-8-4-10-27-15)23-19-17-14(21-18(22-19)16-9-5-11-28-16)12-25(24-17)13-6-2-1-3-7-13/h1-12H,(H,21,22,23,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138714
PNG
(CHEMBL3752862)
Show SMILES O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1cccs1
Show InChI InChI=1S/C20H13N5OS2/c26-20(16-9-5-11-28-16)23-19-17-14(21-18(22-19)15-8-4-10-27-15)12-25(24-17)13-6-2-1-3-7-13/h1-12H,(H,21,22,23,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 2.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138635
PNG
(CHEMBL3754475)
Show SMILES O=C(Cc1ccccc1)Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1
Show InChI InChI=1S/C23H17N5OS/c29-20(14-16-8-3-1-4-9-16)25-23-21-18(24-22(26-23)19-12-7-13-30-19)15-28(27-21)17-10-5-2-6-11-17/h1-13,15H,14H2,(H,24,25,26,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138497
PNG
(CHEMBL3754500)
Show SMILES O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccccc1)c1cccs1
Show InChI InChI=1S/C22H15N5OS/c28-22(18-12-7-13-29-18)25-21-19-17(14-27(26-19)16-10-5-2-6-11-16)23-20(24-21)15-8-3-1-4-9-15/h1-14H,(H,23,24,25,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 5.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138718
PNG
(CHEMBL3751909)
Show SMILES COc1ccc(cc1)-c1nc(NC(=O)c2ccccc2)c2nn(cc2n1)-c1ccccc1
Show InChI InChI=1S/C25H19N5O2/c1-32-20-14-12-17(13-15-20)23-26-21-16-30(19-10-6-3-7-11-19)29-22(21)24(27-23)28-25(31)18-8-4-2-5-9-18/h2-16H,1H3,(H,26,27,28,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 6.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138716
PNG
(CHEMBL3753507)
Show SMILES O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1ccncc1
Show InChI InChI=1S/C21H14N6OS/c28-21(14-8-10-22-11-9-14)25-20-18-16(23-19(24-20)17-7-4-12-29-17)13-27(26-18)15-5-2-1-3-6-15/h1-13H,(H,23,24,25,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 9.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138722
PNG
(CHEMBL3754656)
Show SMILES Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1
Show InChI InChI=1S/C15H11N5S/c16-14-13-11(17-15(18-14)12-7-4-8-21-12)9-20(19-13)10-5-2-1-3-6-10/h1-9H,(H2,16,17,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 9.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138720
PNG
(CHEMBL3752438)
Show SMILES COc1ccc(cc1)-c1nc(NC(=O)c2ccncc2)c2nn(cc2n1)-c1ccccc1
Show InChI InChI=1S/C24H18N6O2/c1-32-19-9-7-16(8-10-19)22-26-20-15-30(18-5-3-2-4-6-18)29-21(20)23(27-22)28-24(31)17-11-13-25-14-12-17/h2-15H,1H3,(H,26,27,28,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 9.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50300678
PNG
(5-methyl-2-phenyl-2H-pyrazolo[4,3-d]pyrimidin-7(6H...)
Show SMILES Cc1nc2cn(nc2c(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C12H10N4O/c1-8-13-10-7-16(9-5-3-2-4-6-9)15-11(10)12(17)14-8/h2-7H,1H3,(H,13,14,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 16n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138788
PNG
(CHEMBL3752622)
Show SMILES COc1ccc(cc1)-c1nc(N)c2nn(cc2n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C19H17N5O2/c1-25-14-7-3-12(4-8-14)19-21-16-11-24(23-17(16)18(20)22-19)13-5-9-15(26-2)10-6-13/h3-11H,1-2H3,(H2,20,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 17n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138789
PNG
(CHEMBL3752275)
Show SMILES COc1ccc(cc1)-c1nc(N)c2nn(cc2n1)-c1ccccc1
Show InChI InChI=1S/C18H15N5O/c1-24-14-9-7-12(8-10-14)18-20-15-11-23(13-5-3-2-4-6-13)22-16(15)17(19)21-18/h2-11H,1H3,(H2,19,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 33n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50138722
PNG
(CHEMBL3754656)
Show SMILES Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1
Show InChI InChI=1S/C15H11N5S/c16-14-13-11(17-15(18-14)12-7-4-8-21-12)9-20(19-13)10-5-2-1-3-6-10/h1-9H,(H2,16,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 52n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX at human A1 receptor expressed in CHO cell membrane after 120 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138466
PNG
(CHEMBL3753937)
Show SMILES Nc1nc(nc2cn(Cc3ccccc3)nc12)-c1ccccc1
Show InChI InChI=1S/C18H15N5/c19-17-16-15(20-18(21-17)14-9-5-2-6-10-14)12-23(22-16)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H2,19,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 54n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50427586
PNG
(CHEMBL2322916)
Show SMILES Cc1nc(N)c2nn(cc2n1)-c1ccccc1
Show InChI InChI=1S/C12H11N5/c1-8-14-10-7-17(9-5-3-2-4-6-9)16-11(10)12(13)15-8/h2-7H,1H3,(H2,13,14,15)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX at human A1 receptor expressed in CHO cell membrane after 120 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50427585
PNG
(CHEMBL2322917)
Show SMILES Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C17H13N5/c18-16-15-14(11-22(21-15)13-9-5-2-6-10-13)19-17(20-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX at human A1 receptor expressed in CHO cell membrane after 120 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138795
PNG
(CHEMBL3753056)
Show SMILES COc1ccc(cc1)-n1cc2nc(nc(N)c2n1)-c1cccs1
Show InChI InChI=1S/C16H13N5OS/c1-22-11-6-4-10(5-7-11)21-9-12-14(20-21)15(17)19-16(18-12)13-3-2-8-23-13/h2-9H,1H3,(H2,17,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 78n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50427584
PNG
(CHEMBL2322918)
Show SMILES Nc1nc(Cc2ccccc2)nc2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C18H15N5/c19-18-17-15(12-23(22-17)14-9-5-2-6-10-14)20-16(21-18)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H2,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 110n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 at human A2A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50138722
PNG
(CHEMBL3754656)
Show SMILES Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1
Show InChI InChI=1S/C15H11N5S/c16-14-13-11(17-15(18-14)12-7-4-8-21-12)9-20(19-13)10-5-2-1-3-6-10/h1-9H,(H2,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 115n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 at human A2A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138793
PNG
(CHEMBL3754432)
Show SMILES O=c1[nH]c(nc2cn(Cc3ccccc3)nc12)-c1ccccc1
Show InChI InChI=1S/C18H14N4O/c23-18-16-15(19-17(20-18)14-9-5-2-6-10-14)12-22(21-16)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H,19,20,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 130n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50427584
PNG
(CHEMBL2322918)
Show SMILES Nc1nc(Cc2ccccc2)nc2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C18H15N5/c19-18-17-15(12-23(22-17)14-9-5-2-6-10-14)20-16(21-18)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H2,19,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 150n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX at human A1 receptor expressed in CHO cell membrane after 120 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138726
PNG
(CHEMBL3753994)
Show SMILES O=C(Cc1ccccc1)Nc1nc(nc2cn(Cc3ccccc3)nc12)-c1ccccc1
Show InChI InChI=1S/C26H21N5O/c32-23(16-19-10-4-1-5-11-19)28-26-24-22(27-25(29-26)21-14-8-3-9-15-21)18-31(30-24)17-20-12-6-2-7-13-20/h1-15,18H,16-17H2,(H,27,28,29,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 202n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50138723
PNG
(CHEMBL3753083)
Show SMILES Cc1nc(N)c2nn(nc2n1)-c1ccccc1
Show InChI InChI=1S/C11H10N6/c1-7-13-10(12)9-11(14-7)16-17(15-9)8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,13,14,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 213n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX at human A1 receptor expressed in CHO cell membrane after 120 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138729
PNG
(CHEMBL3752218)
Show SMILES O=C(Nc1nc(nc2cn(Cc3ccccc3)nc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H19N5O/c31-25(20-14-8-3-9-15-20)28-24-22-21(26-23(27-24)19-12-6-2-7-13-19)17-30(29-22)16-18-10-4-1-5-11-18/h1-15,17H,16H2,(H,26,27,28,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 223n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138792
PNG
(CHEMBL3752647)
Show SMILES Cc1nc2cn(nc2c(=O)[nH]1)-c1ccccc1F
Show InChI InChI=1S/C12H9FN4O/c1-7-14-9-6-17(16-11(9)12(18)15-7)10-5-3-2-4-8(10)13/h2-6H,1H3,(H,14,15,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 225n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50427586
PNG
(CHEMBL2322916)
Show SMILES Cc1nc(N)c2nn(cc2n1)-c1ccccc1
Show InChI InChI=1S/C12H11N5/c1-8-14-10-7-17(9-5-3-2-4-6-9)16-11(10)12(13)15-8/h2-7H,1H3,(H2,13,14,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 246n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 at human A2A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138791
PNG
(CHEMBL3751940)
Show SMILES COc1ccc(cc1)-n1cc2nc([nH]c(=O)c2n1)-c1cccs1
Show InChI InChI=1S/C16H12N4O2S/c1-22-11-6-4-10(5-7-11)20-9-12-14(19-20)16(21)18-15(17-12)13-3-2-8-23-13/h2-9H,1H3,(H,17,18,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 247n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138724
PNG
(CHEMBL3753291)
Show SMILES Nc1nc(Cc2cccs2)nc2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C16H13N5S/c17-16-15-13(10-21(20-15)11-5-2-1-3-6-11)18-14(19-16)9-12-7-4-8-22-12/h1-8,10H,9H2,(H2,17,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 250n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50138466
PNG
(CHEMBL3753937)
Show SMILES Nc1nc(nc2cn(Cc3ccccc3)nc12)-c1ccccc1
Show InChI InChI=1S/C18H15N5/c19-17-16-15(20-18(21-17)14-9-5-2-6-10-14)12-23(22-16)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H2,19,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 250n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX at human A1 receptor expressed in CHO cell membrane after 120 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50138466
PNG
(CHEMBL3753937)
Show SMILES Nc1nc(nc2cn(Cc3ccccc3)nc12)-c1ccccc1
Show InChI InChI=1S/C18H15N5/c19-17-16-15(20-18(21-17)14-9-5-2-6-10-14)12-23(22-16)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H2,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 300n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 at human A2A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138790
PNG
(CHEMBL3754773)
Show SMILES Cc1nc2nn(nc2c(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C11H9N5O/c1-7-12-10-9(11(17)13-7)14-16(15-10)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13,15,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 321n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50427585
PNG
(CHEMBL2322917)
Show SMILES Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C17H13N5/c18-16-15-14(11-22(21-15)13-9-5-2-6-10-13)19-17(20-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 325n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 at human A2A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50138724
PNG
(CHEMBL3753291)
Show SMILES Nc1nc(Cc2cccs2)nc2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C16H13N5S/c17-16-15-13(10-21(20-15)11-5-2-1-3-6-11)18-14(19-16)9-12-7-4-8-22-12/h1-8,10H,9H2,(H2,17,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 400n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX at human A1 receptor expressed in CHO cell membrane after 120 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138468
PNG
(CHEMBL3753700)
Show SMILES O=c1[nH]c(nc2cn(nc12)-c1ccccc1)-c1cccs1
Show InChI InChI=1S/C15H10N4OS/c20-15-13-11(16-14(17-15)12-7-4-8-21-12)9-19(18-13)10-5-2-1-3-6-10/h1-9H,(H,16,17,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 413n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138794
PNG
(CHEMBL3753895)
Show SMILES Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccc(O)cc1
Show InChI InChI=1S/C17H13N5O/c18-16-15-14(10-22(21-15)12-4-2-1-3-5-12)19-17(20-16)11-6-8-13(23)9-7-11/h1-10,23H,(H2,18,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 432n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50138714
PNG
(CHEMBL3752862)
Show SMILES O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1cccs1
Show InChI InChI=1S/C20H13N5OS2/c26-20(16-9-5-11-28-16)23-19-17-14(21-18(22-19)15-8-4-10-27-15)12-25(24-17)13-6-2-1-3-7-13/h1-12H,(H,21,22,23,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 466n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX at human A1 receptor expressed in CHO cell membrane after 120 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138469
PNG
(CHEMBL3754014)
Show SMILES Cc1nc2cn(Cc3ccccc3)nc2c(=O)[nH]1
Show InChI InChI=1S/C13H12N4O/c1-9-14-11-8-17(16-12(11)13(18)15-9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,14,15,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 485n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50138713
PNG
(CHEMBL3751978)
Show SMILES O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1ccco1
Show InChI InChI=1S/C20H13N5O2S/c26-20(15-8-4-10-27-15)23-19-17-14(21-18(22-19)16-9-5-11-28-16)12-25(24-17)13-6-2-1-3-7-13/h1-12H,(H,21,22,23,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 552n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX at human A1 receptor expressed in CHO cell membrane after 120 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50138721
PNG
(CHEMBL3753976)
Show SMILES O=C(N(C(=O)c1ccco1)c1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1ccco1
Show InChI InChI=1S/C25H15N5O4S/c31-24(18-9-4-12-33-18)30(25(32)19-10-5-13-34-19)23-21-17(26-22(27-23)20-11-6-14-35-20)15-29(28-21)16-7-2-1-3-8-16/h1-15H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents
Article
PubMed
 687n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX at human A1 receptor expressed in CHO cell membrane after 120 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50138715
PNG
(CHEMBL3753642)
Show SMILES O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1cccnc1
Show InChI InChI=1S/C21H14N6OS/c28-21(14-6-4-10-22-12-14)25-20-18-16(23-19(24-20)17-9-5-11-29-17)13-27(26-18)15-7-2-1-3-8-15/h1-13H,(H,23,24,25,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 764n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX at human A1 receptor expressed in CHO cell membrane after 120 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138467
PNG
(CHEMBL3753543)
Show SMILES Cc1ccc(o1)-c1nc2cn(nc2c(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C16H12N4O2/c1-10-7-8-13(22-10)15-17-12-9-20(11-5-3-2-4-6-11)19-14(12)16(21)18-15/h2-9H,1H3,(H,17,18,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 868n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Rattus norvegicus)		BDBM50138716
PNG
(CHEMBL3753507)
Show SMILES O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1ccncc1
Show InChI InChI=1S/C21H14N6OS/c28-21(14-8-10-22-11-9-14)25-20-18-16(23-19(24-20)17-7-4-12-29-17)13-27(26-18)15-5-2-1-3-6-15/h1-13H,(H,23,24,25,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at rat A3 receptor expressed in HEK293 cells after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Rattus norvegicus)		BDBM50138568
PNG
(CHEMBL3754229)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1
Show InChI InChI=1S/C23H17N5O2S/c1-30-17-11-9-15(10-12-17)23(29)26-22-20-18(24-21(25-22)19-8-5-13-31-19)14-28(27-20)16-6-3-2-4-7-16/h2-14H,1H3,(H,24,25,26,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at rat A3 receptor expressed in HEK293 cells after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Rattus norvegicus)		BDBM50138498
PNG
(CHEMBL3752840)
Show SMILES O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1ccccc1
Show InChI InChI=1S/C22H15N5OS/c28-22(15-8-3-1-4-9-15)25-21-19-17(23-20(24-21)18-12-7-13-29-18)14-27(26-19)16-10-5-2-6-11-16/h1-14H,(H,23,24,25,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at rat A3 receptor expressed in HEK293 cells after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Rattus norvegicus)		BDBM50138720
PNG
(CHEMBL3752438)
Show SMILES COc1ccc(cc1)-c1nc(NC(=O)c2ccncc2)c2nn(cc2n1)-c1ccccc1
Show InChI InChI=1S/C24H18N6O2/c1-32-19-9-7-16(8-10-19)22-26-20-15-30(18-5-3-2-4-6-18)29-21(20)23(27-22)28-24(31)17-11-13-25-14-12-17/h2-15H,1H3,(H,26,27,28,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at rat A3 receptor expressed in HEK293 cells after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Rattus norvegicus)		BDBM50138718
PNG
(CHEMBL3751909)
Show SMILES COc1ccc(cc1)-c1nc(NC(=O)c2ccccc2)c2nn(cc2n1)-c1ccccc1
Show InChI InChI=1S/C25H19N5O2/c1-32-20-14-12-17(13-15-20)23-26-21-16-30(19-10-6-3-7-11-19)29-22(21)24(27-23)28-25(31)18-8-4-2-5-9-18/h2-16H,1H3,(H,26,27,28,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at rat A3 receptor expressed in HEK293 cells after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Rattus norvegicus)		BDBM50138719
PNG
(CHEMBL3753544)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccc(OC)cc1
Show InChI InChI=1S/C26H21N5O3/c1-33-20-12-8-17(9-13-20)24-27-22-16-31(19-6-4-3-5-7-19)30-23(22)25(28-24)29-26(32)18-10-14-21(34-2)15-11-18/h3-16H,1-2H3,(H,27,28,29,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at rat A3 receptor expressed in HEK293 cells after 60 mins by scintillation counting method

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138568
PNG
(CHEMBL3754229)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1
Show InChI InChI=1S/C23H17N5O2S/c1-30-17-11-9-15(10-12-17)23(29)26-22-20-18(24-21(25-22)19-8-5-13-31-19)14-28(27-20)16-6-3-2-4-7-16/h2-14H,1H3,(H,24,25,26,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.110n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human A3 receptor expressed in CHO cells assessed as inhibition of Cl-IB-MECA-induced cAMP production by scintillation countin...

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138715
PNG
(CHEMBL3753642)
Show SMILES O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1cccnc1
Show InChI InChI=1S/C21H14N6OS/c28-21(14-6-4-10-22-12-14)25-20-18-16(23-19(24-20)17-9-5-11-29-17)13-27(26-18)15-7-2-1-3-8-15/h1-13H,(H,23,24,25,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human A3 receptor expressed in CHO cells assessed as inhibition of Cl-IB-MECA-induced cAMP production by scintillation countin...

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138719
PNG
(CHEMBL3753544)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccc(OC)cc1
Show InChI InChI=1S/C26H21N5O3/c1-33-20-12-8-17(9-13-20)24-27-22-16-31(19-6-4-3-5-7-19)30-23(22)25(28-24)29-26(32)18-10-14-21(34-2)15-11-18/h3-16H,1-2H3,(H,27,28,29,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.30n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human A3 receptor expressed in CHO cells assessed as inhibition of Cl-IB-MECA-induced cAMP production by scintillation countin...

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138721
PNG
(CHEMBL3753976)
Show SMILES O=C(N(C(=O)c1ccco1)c1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1ccco1
Show InChI InChI=1S/C25H15N5O4S/c31-24(18-9-4-12-33-18)30(25(32)19-10-5-13-34-19)23-21-17(26-22(27-23)20-11-6-14-35-20)15-29(28-21)16-7-2-1-3-8-16/h1-15H
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents
Article
PubMed
n/an/a 4.40n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human A3 receptor expressed in CHO cells assessed as inhibition of Cl-IB-MECA-induced cAMP production by scintillation countin...

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138498
PNG
(CHEMBL3752840)
Show SMILES O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1ccccc1
Show InChI InChI=1S/C22H15N5OS/c28-22(15-8-3-1-4-9-15)25-21-19-17(23-20(24-21)18-12-7-13-29-18)14-27(26-19)16-10-5-2-6-11-16/h1-14H,(H,23,24,25,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents
Article
PubMed
n/an/a 5.30n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human A3 receptor expressed in CHO cells assessed as inhibition of Cl-IB-MECA-induced cAMP production by scintillation countin...

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138713
PNG
(CHEMBL3751978)
Show SMILES O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1ccco1
Show InChI InChI=1S/C20H13N5O2S/c26-20(15-8-4-10-27-15)23-19-17-14(21-18(22-19)16-9-5-11-28-16)12-25(24-17)13-6-2-1-3-7-13/h1-12H,(H,21,22,23,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.5n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human A3 receptor expressed in CHO cells assessed as inhibition of Cl-IB-MECA-induced cAMP production by scintillation countin...

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138714
PNG
(CHEMBL3752862)
Show SMILES O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1cccs1
Show InChI InChI=1S/C20H13N5OS2/c26-20(16-9-5-11-28-16)23-19-17-14(21-18(22-19)15-8-4-10-27-15)12-25(24-17)13-6-2-1-3-7-13/h1-12H,(H,21,22,23,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.60n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human A3 receptor expressed in CHO cells assessed as inhibition of Cl-IB-MECA-induced cAMP production by scintillation countin...

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138635
PNG
(CHEMBL3754475)
Show SMILES O=C(Cc1ccccc1)Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1
Show InChI InChI=1S/C23H17N5OS/c29-20(14-16-8-3-1-4-9-16)25-23-21-18(24-22(26-23)19-12-7-13-30-19)15-28(27-21)17-10-5-2-6-11-17/h1-13,15H,14H2,(H,24,25,26,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8.5n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human A3 receptor expressed in CHO cells assessed as inhibition of Cl-IB-MECA-induced cAMP production by scintillation countin...

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138497
PNG
(CHEMBL3754500)
Show SMILES O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccccc1)c1cccs1
Show InChI InChI=1S/C22H15N5OS/c28-22(18-12-7-13-29-18)25-21-19-17(14-27(26-19)16-10-5-2-6-11-16)23-20(24-21)15-8-3-1-4-9-15/h1-14H,(H,23,24,25,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human A3 receptor expressed in CHO cells assessed as inhibition of Cl-IB-MECA-induced cAMP production by scintillation countin...

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138718
PNG
(CHEMBL3751909)
Show SMILES COc1ccc(cc1)-c1nc(NC(=O)c2ccccc2)c2nn(cc2n1)-c1ccccc1
Show InChI InChI=1S/C25H19N5O2/c1-32-20-14-12-17(13-15-20)23-26-21-16-30(19-10-6-3-7-11-19)29-22(21)24(27-23)28-25(31)18-8-4-2-5-9-18/h2-16H,1H3,(H,26,27,28,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human A3 receptor expressed in CHO cells assessed as inhibition of Cl-IB-MECA-induced cAMP production by scintillation countin...

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138716
PNG
(CHEMBL3753507)
Show SMILES O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1ccncc1
Show InChI InChI=1S/C21H14N6OS/c28-21(14-8-10-22-11-9-14)25-20-18-16(23-19(24-20)17-7-4-12-29-17)13-27(26-18)15-5-2-1-3-6-15/h1-13H,(H,23,24,25,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 37n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human A3 receptor expressed in CHO cells assessed as inhibition of Cl-IB-MECA-induced cAMP production by scintillation countin...

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50138720
PNG
(CHEMBL3752438)
Show SMILES COc1ccc(cc1)-c1nc(NC(=O)c2ccncc2)c2nn(cc2n1)-c1ccccc1
Show InChI InChI=1S/C24H18N6O2/c1-32-19-9-7-16(8-10-19)22-26-20-15-30(18-5-3-2-4-6-18)29-21(20)23(27-22)28-24(31)17-11-13-25-14-12-17/h2-15H,1H3,(H,26,27,28,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human A3 receptor expressed in CHO cells assessed as inhibition of Cl-IB-MECA-induced cAMP production by scintillation countin...

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50427586
PNG
(CHEMBL2322916)
Show SMILES Cc1nc(N)c2nn(cc2n1)-c1ccccc1
Show InChI InChI=1S/C12H11N5/c1-8-14-10-7-17(9-5-3-2-4-6-9)16-11(10)12(13)15-8/h2-7H,1H3,(H2,13,14,15)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 320n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated cAMP production by scintillation counting ...

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50427584
PNG
(CHEMBL2322918)
Show SMILES Nc1nc(Cc2ccccc2)nc2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C18H15N5/c19-18-17-15(12-23(22-17)14-9-5-2-6-10-14)20-16(21-18)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H2,19,20,21)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 420n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated cAMP production by scintillation counting ...

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50427585
PNG
(CHEMBL2322917)
Show SMILES Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C17H13N5/c18-16-15-14(11-22(21-15)13-9-5-2-6-10-13)19-17(20-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19,20)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 440n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated cAMP production by scintillation counting ...

Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%