BindingDB logo
myBDB logout

PubMed code 28789895

Compile data set for download or QSAR
Found 38 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 A1


(BOVINE)		BDBM50120761
PNG
(CHEMBL355898 | Cyclopentanecarboxylic acid (7-meth...)
Show SMILES Cc1cn2c(NC(=O)C3CCCC3)nc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C18H19N5O/c1-12-11-23-17(19-12)20-15(13-7-3-2-4-8-13)21-18(23)22-16(24)14-9-5-6-10-14/h2-4,7-8,11,14H,5-6,9-10H2,1H3,(H,19,20,21,22,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 4.40n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from A1 receptor in bovine cortical membrane

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50120765
PNG
(1-(7-Methyl-2-phenyl-imidazo[1,2-a][1,3,5]triazin-...)
Show SMILES CC(=O)CNc1nc(nc2nc(C)cn12)-c1ccccc1
Show InChI InChI=1S/C15H15N5O/c1-10-9-20-14(16-8-11(2)21)18-13(19-15(20)17-10)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,16,17,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 12n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from A1 receptor in bovine cortical membrane

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50120764
PNG
(CHEMBL149732 | Cyclopentanecarboxylic acid (2,7-di...)
Show SMILES O=C(Nc1nc(nc2nc(cn12)-c1ccccc1)-c1ccccc1)C1CCCC1
Show InChI InChI=1S/C23H21N5O/c29-21(18-13-7-8-14-18)27-23-26-20(17-11-5-2-6-12-17)25-22-24-19(15-28(22)23)16-9-3-1-4-10-16/h1-6,9-12,15,18H,7-8,13-14H2,(H,24,25,26,27,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 17n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from A1 receptor in bovine cortical membrane

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50120760
PNG
(CHEMBL343256 | Cyclohexanecarboxylic acid (7-methy...)
Show SMILES Cc1cn2c(NC(=O)C3CCCCC3)nc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C19H21N5O/c1-13-12-24-18(20-13)21-16(14-8-4-2-5-9-14)22-19(24)23-17(25)15-10-6-3-7-11-15/h2,4-5,8-9,12,15H,3,6-7,10-11H2,1H3,(H,20,21,22,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 116n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from A1 receptor in bovine cortical membrane

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50120754
PNG
(CHEMBL147913 | Cyclohexylmethyl-(7-methyl-2-phenyl...)
Show SMILES Cc1cn2c(NCC3CCCCC3)nc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C19H23N5/c1-14-13-24-18(20-12-15-8-4-2-5-9-15)22-17(23-19(24)21-14)16-10-6-3-7-11-16/h3,6-7,10-11,13,15H,2,4-5,8-9,12H2,1H3,(H,20,21,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 231n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from A1 receptor in bovine cortical membrane

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50120757
PNG
(7-Methyl-2-phenyl-imidazo[1,2-a][1,3,5]triazin-4-y...)
Show SMILES Cc1cn2c(N)nc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C12H11N5/c1-8-7-17-11(13)15-10(16-12(17)14-8)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14,15,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 332n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from A1 receptor in bovine cortical membrane

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50120753
PNG
(CHEMBL421782 | N-(7-Methyl-2-phenyl-imidazo[1,2-a]...)
Show SMILES CC(=O)Nc1nc(nc2nc(C)cn12)-c1ccccc1
Show InChI InChI=1S/C14H13N5O/c1-9-8-19-13(15-9)17-12(11-6-4-3-5-7-11)18-14(19)16-10(2)20/h3-8H,1-2H3,(H,15,16,17,18,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 855n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]CHA from A1 receptor in bovine cortical membrane

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50269832
PNG
(CHEMBL4065991)
Show SMILES Cc1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1
Show InChI InChI=1S/C20H23N3/c1-15-10-12-16(13-11-15)19-20(21-17-7-3-2-4-8-17)23-14-6-5-9-18(23)22-19/h5-6,9-14,17,21H,2-4,7-8H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.00E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from A1 receptor in rat whole brain membrane assessed as effect on GTP shift in presence of 100 uM GTP

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50269832
PNG
(CHEMBL4065991)
Show SMILES Cc1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1
Show InChI InChI=1S/C20H23N3/c1-15-10-12-16(13-11-15)19-20(21-17-7-3-2-4-8-17)23-14-6-5-9-18(23)22-19/h5-6,9-14,17,21H,2-4,7-8H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.06E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from A1 receptor in rat whole brain membrane

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50269831
PNG
(CHEMBL1807296)
Show SMILES Brc1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1
Show InChI InChI=1S/C19H20BrN3/c20-15-11-9-14(10-12-15)18-19(21-16-6-2-1-3-7-16)23-13-5-4-8-17(23)22-18/h4-5,8-13,16,21H,1-3,6-7H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.90E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from A1 receptor in rat whole brain membrane

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50269833
PNG
(CHEMBL1807329)
Show SMILES Oc1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1
Show InChI InChI=1S/C19H21N3O/c23-16-11-9-14(10-12-16)18-19(20-15-6-2-1-3-7-15)22-13-5-4-8-17(22)21-18/h4-5,8-13,15,20,23H,1-3,6-7H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 5.53E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from A1 receptor in rat whole brain membrane

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50269839
PNG
(CHEMBL1807282)
Show SMILES COc1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1
Show InChI InChI=1S/C20H23N3O/c1-24-17-12-10-15(11-13-17)19-20(21-16-7-3-2-4-8-16)23-14-6-5-9-18(23)22-19/h5-6,9-14,16,21H,2-4,7-8H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
Article
PubMed
 7.61E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from A1 receptor in rat whole brain membrane

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50269830
PNG
(CHEMBL1807298)
Show SMILES Fc1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1
Show InChI InChI=1S/C19H20FN3/c20-15-11-9-14(10-12-15)18-19(21-16-6-2-1-3-7-16)23-13-5-4-8-17(23)22-18/h4-5,8-13,16,21H,1-3,6-7H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from A1 receptor in rat whole brain membrane

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50269835
PNG
(CHEMBL1303604)
Show SMILES Brc1ccc(cc1)-c1cn2ccccc2n1
Show InChI InChI=1S/C13H9BrN2/c14-11-6-4-10(5-7-11)12-9-16-8-2-1-3-13(16)15-12/h1-9H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from A1 receptor in rat whole brain membrane

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50269829
PNG
(CHEMBL1807324)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1
Show InChI InChI=1S/C20H20F3N3/c21-20(22,23)15-11-9-14(10-12-15)18-19(24-16-6-2-1-3-7-16)26-13-5-4-8-17(26)25-18/h4-5,8-13,16,24H,1-3,6-7H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from A1 receptor in rat whole brain membrane

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50269834
PNG
(CHEMBL1807290)
Show SMILES C1CCC(CC1)Nc1c(nc2ccccn12)-c1ccccc1
Show InChI InChI=1S/C19H21N3/c1-3-9-15(10-4-1)18-19(20-16-11-5-2-6-12-16)22-14-8-7-13-17(22)21-18/h1,3-4,7-10,13-14,16,20H,2,5-6,11-12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from A1 receptor in rat whole brain membrane

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50269838
PNG
(CHEMBL1807293)
Show SMILES Clc1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1
Show InChI InChI=1S/C19H20ClN3/c20-15-11-9-14(10-12-15)18-19(21-16-6-2-1-3-7-16)23-13-5-4-8-17(23)22-18/h4-5,8-13,16,21H,1-3,6-7H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from A1 receptor in rat whole brain membrane

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50269840
PNG
(CHEMBL4084890)
Show SMILES Nc1c(nc2ccccn12)-c1ccccc1
Show InChI InChI=1S/C13H11N3/c14-13-12(10-6-2-1-3-7-10)15-11-8-4-5-9-16(11)13/h1-9H,14H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from A2A receptor in rat striatal membrane in presence of A1 receptor agonist N6-cyclopentyladenosine

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50269835
PNG
(CHEMBL1303604)
Show SMILES Brc1ccc(cc1)-c1cn2ccccc2n1
Show InChI InChI=1S/C13H9BrN2/c14-11-6-4-10(5-7-11)12-9-16-8-2-1-3-13(16)15-12/h1-9H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from A2A receptor in rat striatal membrane in presence of A1 receptor agonist N6-cyclopentyladenosine

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50269836
PNG
(CHEMBL1621581)
Show SMILES Oc1ccc(cc1)-c1cn2ccccc2n1
Show InChI InChI=1S/C13H10N2O/c16-11-6-4-10(5-7-11)12-9-15-8-2-1-3-13(15)14-12/h1-9,16H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from A2A receptor in rat striatal membrane in presence of A1 receptor agonist N6-cyclopentyladenosine

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50269837
PNG
(CHEMBL377488)
Show SMILES c1cn2ccccc2n1
Show InChI InChI=1S/C7H6N2/c1-2-5-9-6-4-8-7(9)3-1/h1-6H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from A1 receptor in rat whole brain membrane

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50269838
PNG
(CHEMBL1807293)
Show SMILES Clc1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1
Show InChI InChI=1S/C19H20ClN3/c20-15-11-9-14(10-12-15)18-19(21-16-6-2-1-3-7-16)23-13-5-4-8-17(23)22-18/h4-5,8-13,16,21H,1-3,6-7H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from A2A receptor in rat striatal membrane in presence of A1 receptor agonist N6-cyclopentyladenosine

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50269830
PNG
(CHEMBL1807298)
Show SMILES Fc1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1
Show InChI InChI=1S/C19H20FN3/c20-15-11-9-14(10-12-15)18-19(21-16-6-2-1-3-7-16)23-13-5-4-8-17(23)22-18/h4-5,8-13,16,21H,1-3,6-7H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from A2A receptor in rat striatal membrane in presence of A1 receptor agonist N6-cyclopentyladenosine

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50269834
PNG
(CHEMBL1807290)
Show SMILES C1CCC(CC1)Nc1c(nc2ccccn12)-c1ccccc1
Show InChI InChI=1S/C19H21N3/c1-3-9-15(10-4-1)18-19(20-16-11-5-2-6-12-16)22-14-8-7-13-17(22)21-18/h1,3-4,7-10,13-14,16,20H,2,5-6,11-12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from A2A receptor in rat striatal membrane in presence of A1 receptor agonist N6-cyclopentyladenosine

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50444540
PNG
(CHEMBL1594316)
Show SMILES COc1ccc(cc1)-c1cn2ccccc2n1
Show InChI InChI=1S/C14H12N2O/c1-17-12-7-5-11(6-8-12)13-10-16-9-3-2-4-14(16)15-13/h2-10H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from A2A receptor in rat striatal membrane in presence of A1 receptor agonist N6-cyclopentyladenosine

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50269833
PNG
(CHEMBL1807329)
Show SMILES Oc1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1
Show InChI InChI=1S/C19H21N3O/c23-16-11-9-14(10-12-16)18-19(20-15-6-2-1-3-7-15)22-13-5-4-8-17(22)21-18/h4-5,8-13,15,20,23H,1-3,6-7H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from A2A receptor in rat striatal membrane in presence of A1 receptor agonist N6-cyclopentyladenosine

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50269839
PNG
(CHEMBL1807282)
Show SMILES COc1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1
Show InChI InChI=1S/C20H23N3O/c1-24-17-12-10-15(11-13-17)19-20(21-16-7-3-2-4-8-16)23-14-6-5-9-18(23)22-19/h5-6,9-14,16,21H,2-4,7-8H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from A2A receptor in rat striatal membrane in presence of A1 receptor agonist N6-cyclopentyladenosine

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50269829
PNG
(CHEMBL1807324)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1
Show InChI InChI=1S/C20H20F3N3/c21-20(22,23)15-11-9-14(10-12-15)18-19(24-16-6-2-1-3-7-16)26-13-5-4-8-17(26)25-18/h4-5,8-13,16,24H,1-3,6-7H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from A2A receptor in rat striatal membrane in presence of A1 receptor agonist N6-cyclopentyladenosine

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50269828
PNG
(CHEMBL1807327)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1
Show InChI InChI=1S/C19H20N4O2/c24-23(25)16-11-9-14(10-12-16)18-19(20-15-6-2-1-3-7-15)22-13-5-4-8-17(22)21-18/h4-5,8-13,15,20H,1-3,6-7H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from A2A receptor in rat striatal membrane in presence of A1 receptor agonist N6-cyclopentyladenosine

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50269841
PNG
(CHEMBL1720835)
Show SMILES c1c(nc2ccccn12)-c1ccccc1
Show InChI InChI=1S/C13H10N2/c1-2-6-11(7-3-1)12-10-15-9-5-4-8-13(15)14-12/h1-10H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from A2A receptor in rat striatal membrane in presence of A1 receptor agonist N6-cyclopentyladenosine

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50269836
PNG
(CHEMBL1621581)
Show SMILES Oc1ccc(cc1)-c1cn2ccccc2n1
Show InChI InChI=1S/C13H10N2O/c16-11-6-4-10(5-7-11)12-9-15-8-2-1-3-13(15)14-12/h1-9,16H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from A1 receptor in rat whole brain membrane

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50444540
PNG
(CHEMBL1594316)
Show SMILES COc1ccc(cc1)-c1cn2ccccc2n1
Show InChI InChI=1S/C14H12N2O/c1-17-12-7-5-11(6-8-12)13-10-16-9-3-2-4-14(16)15-13/h2-10H,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from A1 receptor in rat whole brain membrane

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50269840
PNG
(CHEMBL4084890)
Show SMILES Nc1c(nc2ccccn12)-c1ccccc1
Show InChI InChI=1S/C13H11N3/c14-13-12(10-6-2-1-3-7-10)15-11-8-4-5-9-16(11)13/h1-9H,14H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from A1 receptor in rat whole brain membrane

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50269828
PNG
(CHEMBL1807327)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1
Show InChI InChI=1S/C19H20N4O2/c24-23(25)16-11-9-14(10-12-16)18-19(20-15-6-2-1-3-7-15)22-13-5-4-8-17(22)21-18/h4-5,8-13,15,20H,1-3,6-7H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from A1 receptor in rat whole brain membrane

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50269841
PNG
(CHEMBL1720835)
Show SMILES c1c(nc2ccccn12)-c1ccccc1
Show InChI InChI=1S/C13H10N2/c1-2-6-11(7-3-1)12-10-15-9-5-4-8-13(15)14-12/h1-10H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from A1 receptor in rat whole brain membrane

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50269837
PNG
(CHEMBL377488)
Show SMILES c1cn2ccccc2n1
Show InChI InChI=1S/C7H6N2/c1-2-5-9-6-4-8-7(9)3-1/h1-6H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from A2A receptor in rat striatal membrane in presence of A1 receptor agonist N6-cyclopentyladenosine

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50269832
PNG
(CHEMBL4065991)
Show SMILES Cc1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1
Show InChI InChI=1S/C20H23N3/c1-15-10-12-16(13-11-15)19-20(21-17-7-3-2-4-8-17)23-14-6-5-9-18(23)22-19/h5-6,9-14,17,21H,2-4,7-8H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from A2A receptor in rat striatal membrane in presence of A1 receptor agonist N6-cyclopentyladenosine

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50269831
PNG
(CHEMBL1807296)
Show SMILES Brc1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1
Show InChI InChI=1S/C19H20BrN3/c20-15-11-9-14(10-12-15)18-19(21-16-6-2-1-3-7-16)23-13-5-4-8-17(23)22-18/h4-5,8-13,16,21H,1-3,6-7H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Pharmaceutical Chemistry, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NECA from A2A receptor in rat striatal membrane in presence of A1 receptor agonist N6-cyclopentyladenosine

Bioorg Med Chem Lett 27: 3963-3967 (2017)


Article DOI: 10.1016/j.bmcl.2017.07.071
BindingDB Entry DOI: 10.7270/Q2BZ68J4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%