BindingDB logo
myBDB logout

PubMed code 17499511

Compile data set for download or QSAR
Found 46 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 A2a


(Rattus norvegicus (rat))		BDBM50176050
PNG
(8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...)
Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
 5.15n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50212805
PNG
(9-(3-chlorobenzyl)-1,3-dipropyl-6,7,8,9-tetrahydro...)
Show SMILES CCCn1c2nc3N(Cc4cccc(Cl)c4)CCCn3c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C21H26ClN5O2/c1-3-9-26-18-17(19(28)27(10-4-2)21(26)29)25-12-6-11-24(20(25)23-18)14-15-7-5-8-16(22)13-15/h5,7-8,13H,3-4,6,9-12,14H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 89n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50212797
PNG
(9-(3-methoxybenzyl)-1,3-dipropyl-6,7,8,9-tetrahydr...)
Show SMILES CCCn1c2nc3N(Cc4cccc(OC)c4)CCCn3c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C22H29N5O3/c1-4-10-26-19-18(20(28)27(11-5-2)22(26)29)25-13-7-12-24(21(25)23-19)15-16-8-6-9-17(14-16)30-3/h6,8-9,14H,4-5,7,10-13,15H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 180n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50212807
PNG
(9-(4-chlorobenzyl)-1,3-dipropyl-6,7,8,9-tetrahydro...)
Show SMILES CCCn1c2nc3N(Cc4ccc(Cl)cc4)CCCn3c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C21H26ClN5O2/c1-3-10-26-18-17(19(28)27(11-4-2)21(26)29)25-13-5-12-24(20(25)23-18)14-15-6-8-16(22)9-7-15/h6-9H,3-5,10-14H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 230n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50176050
PNG
(8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...)
Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
 230n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50212805
PNG
(9-(3-chlorobenzyl)-1,3-dipropyl-6,7,8,9-tetrahydro...)
Show SMILES CCCn1c2nc3N(Cc4cccc(Cl)c4)CCCn3c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C21H26ClN5O2/c1-3-9-26-18-17(19(28)27(10-4-2)21(26)29)25-12-6-11-24(20(25)23-18)14-15-7-5-8-16(22)13-15/h5,7-8,13H,3-4,6,9-12,14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 478n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50212801
PNG
(9-(2-chlorobenzyl)-1,3-dipropyl-6,7,8,9-tetrahydro...)
Show SMILES CCCn1c2nc3N(Cc4ccccc4Cl)CCCn3c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C21H26ClN5O2/c1-3-10-26-18-17(19(28)27(11-4-2)21(26)29)25-13-7-12-24(20(25)23-18)14-15-8-5-6-9-16(15)22/h5-6,8-9H,3-4,7,10-14H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 480n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50212798
PNG
(9-(2-methoxybenzyl)-1,3-dimethyl-6,7,8,9-tetrahydr...)
Show SMILES COc1ccccc1CN1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Show InChI InChI=1S/C18H21N5O3/c1-20-15-14(16(24)21(2)18(20)25)23-10-6-9-22(17(23)19-15)11-12-7-4-5-8-13(12)26-3/h4-5,7-8H,6,9-11H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 699n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50212806
PNG
(9-(4-fluorobenzyl)-1,3-dipropyl-6,7,8,9-tetrahydro...)
Show SMILES CCCn1c2nc3N(Cc4ccc(F)cc4)CCCn3c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C21H26FN5O2/c1-3-10-26-18-17(19(28)27(11-4-2)21(26)29)25-13-5-12-24(20(25)23-18)14-15-6-8-16(22)9-7-15/h6-9H,3-5,10-14H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 710n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50212800
PNG
(8-(4-methyl-benzyl)-1,3-dipropyl-5,6,7,8-tetrahydr...)
Show SMILES CCCn1c2nc3N(Cc4ccc(C)cc4)CCCn3c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C22H29N5O2/c1-4-11-26-19-18(20(28)27(12-5-2)22(26)29)25-14-6-13-24(21(25)23-19)15-17-9-7-16(3)8-10-17/h7-10H,4-6,11-15H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 730n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50212807
PNG
(9-(4-chlorobenzyl)-1,3-dipropyl-6,7,8,9-tetrahydro...)
Show SMILES CCCn1c2nc3N(Cc4ccc(Cl)cc4)CCCn3c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C21H26ClN5O2/c1-3-10-26-18-17(19(28)27(11-4-2)21(26)29)25-13-5-12-24(20(25)23-18)14-15-6-8-16(22)9-7-15/h6-9H,3-5,10-14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 870n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50212800
PNG
(8-(4-methyl-benzyl)-1,3-dipropyl-5,6,7,8-tetrahydr...)
Show SMILES CCCn1c2nc3N(Cc4ccc(C)cc4)CCCn3c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C22H29N5O2/c1-4-11-26-19-18(20(28)27(12-5-2)22(26)29)25-14-6-13-24(21(25)23-19)15-17-9-7-16(3)8-10-17/h7-10H,4-6,11-15H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.00E+3n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50212799
PNG
(9-benzyl-1,3-dimethyl-6,7,8,9-tetrahydropyrimido[1...)
Show SMILES Cn1c2nc3N(Cc4ccccc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C17H19N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-10-6-9-21(16(22)18-14)11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.09E+3n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50212816
PNG
(9-(3-chlorobenzyl)-1,3-dimethyl-6,7,8,9-tetrahydro...)
Show SMILES Cn1c2nc3N(Cc4cccc(Cl)c4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C17H18ClN5O2/c1-20-14-13(15(24)21(2)17(20)25)23-8-4-7-22(16(23)19-14)10-11-5-3-6-12(18)9-11/h3,5-6,9H,4,7-8,10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.12E+3n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50212797
PNG
(9-(3-methoxybenzyl)-1,3-dipropyl-6,7,8,9-tetrahydr...)
Show SMILES CCCn1c2nc3N(Cc4cccc(OC)c4)CCCn3c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C22H29N5O3/c1-4-10-26-19-18(20(28)27(11-5-2)22(26)29)25-13-7-12-24(21(25)23-19)15-16-8-6-9-17(14-16)30-3/h6,8-9,14H,4-5,7,10-13,15H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.13E+3n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50212803
PNG
(9-(2-chlorobenzyl)-1,3-dimethyl-6,7,8,9-tetrahydro...)
Show SMILES Cn1c2nc3N(Cc4ccccc4Cl)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C17H18ClN5O2/c1-20-14-13(15(24)21(2)17(20)25)23-9-5-8-22(16(23)19-14)10-11-6-3-4-7-12(11)18/h3-4,6-7H,5,8-10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.24E+3n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50212805
PNG
(9-(3-chlorobenzyl)-1,3-dipropyl-6,7,8,9-tetrahydro...)
Show SMILES CCCn1c2nc3N(Cc4cccc(Cl)c4)CCCn3c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C21H26ClN5O2/c1-3-9-26-18-17(19(28)27(10-4-2)21(26)29)25-12-6-11-24(20(25)23-18)14-15-7-5-8-16(22)13-15/h5,7-8,13H,3-4,6,9-12,14H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.29E+3n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB11 from human adenosine A3 receptor

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50212808
PNG
(9-(3-methoxybenzyl)-1,3-dimethyl-6,7,8,9-tetrahydr...)
Show SMILES COc1cccc(CN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)c1
Show InChI InChI=1S/C18H21N5O3/c1-20-15-14(16(24)21(2)18(20)25)23-9-5-8-22(17(23)19-15)11-12-6-4-7-13(10-12)26-3/h4,6-7,10H,5,8-9,11H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.31E+3n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50212816
PNG
(9-(3-chlorobenzyl)-1,3-dimethyl-6,7,8,9-tetrahydro...)
Show SMILES Cn1c2nc3N(Cc4cccc(Cl)c4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C17H18ClN5O2/c1-20-14-13(15(24)21(2)17(20)25)23-8-4-7-22(16(23)19-14)10-11-5-3-6-12(18)9-11/h3,5-6,9H,4,7-8,10H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.42E+3n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50212807
PNG
(9-(4-chlorobenzyl)-1,3-dipropyl-6,7,8,9-tetrahydro...)
Show SMILES CCCn1c2nc3N(Cc4ccc(Cl)cc4)CCCn3c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C21H26ClN5O2/c1-3-10-26-18-17(19(28)27(11-4-2)21(26)29)25-13-5-12-24(20(25)23-18)14-15-6-8-16(22)9-7-15/h6-9H,3-5,10-14H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.60E+3n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB11 from human adenosine A3 receptor

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50212801
PNG
(9-(2-chlorobenzyl)-1,3-dipropyl-6,7,8,9-tetrahydro...)
Show SMILES CCCn1c2nc3N(Cc4ccccc4Cl)CCCn3c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C21H26ClN5O2/c1-3-10-26-18-17(19(28)27(11-4-2)21(26)29)25-13-7-12-24(20(25)23-18)14-15-8-5-6-9-16(15)22/h5-6,8-9H,3-4,7,10-14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.73E+3n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50212812
PNG
(9-(4-fluorobenzyl)-1,3-dimethyl-6,7,8,9-tetrahydro...)
Show SMILES Cn1c2nc3N(Cc4ccc(F)cc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C17H18FN5O2/c1-20-14-13(15(24)21(2)17(20)25)23-9-3-8-22(16(23)19-14)10-11-4-6-12(18)7-5-11/h4-7H,3,8-10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50212815
PNG
(9-(2,4-dichlorobenzyl)-1,3-dimethyl-6,7,8,9-tetrah...)
Show SMILES Cn1c2nc3N(Cc4ccc(Cl)cc4Cl)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C17H17Cl2N5O2/c1-21-14-13(15(25)22(2)17(21)26)24-7-3-6-23(16(24)20-14)9-10-4-5-11(18)8-12(10)19/h4-5,8H,3,6-7,9H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.48E+3n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50212813
PNG
(9-benzhydryl-1,3-dimethyl-6,7,8,9-tetrahydropyrimi...)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H23N5O2/c1-25-20-19(21(29)26(2)23(25)30)28-15-9-14-27(22(28)24-20)18(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18H,9,14-15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>2.50E+3n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50212803
PNG
(9-(2-chlorobenzyl)-1,3-dimethyl-6,7,8,9-tetrahydro...)
Show SMILES Cn1c2nc3N(Cc4ccccc4Cl)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C17H18ClN5O2/c1-20-14-13(15(24)21(2)17(20)25)23-9-5-8-22(16(23)19-14)10-11-6-3-4-7-12(11)18/h3-4,6-7H,5,8-10H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>2.50E+3n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50212808
PNG
(9-(3-methoxybenzyl)-1,3-dimethyl-6,7,8,9-tetrahydr...)
Show SMILES COc1cccc(CN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)c1
Show InChI InChI=1S/C18H21N5O3/c1-20-15-14(16(24)21(2)18(20)25)23-9-5-8-22(17(23)19-15)11-12-6-4-7-13(10-12)26-3/h4,6-7,10H,5,8-9,11H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.50E+3n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50212809
PNG
(1,3-dimethyl-8-(4-methyl-benzyl)-5,6,7,8-tetrahydr...)
Show SMILES Cc1ccc(CN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
Show InChI InChI=1S/C18H21N5O2/c1-12-5-7-13(8-6-12)11-22-9-4-10-23-14-15(19-17(22)23)20(2)18(25)21(3)16(14)24/h5-8H,4,9-11H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>2.50E+3n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50212813
PNG
(9-benzhydryl-1,3-dimethyl-6,7,8,9-tetrahydropyrimi...)
Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C)c1=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H23N5O2/c1-25-20-19(21(29)26(2)23(25)30)28-15-9-14-27(22(28)24-20)18(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18H,9,14-15H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>2.50E+3n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50212809
PNG
(1,3-dimethyl-8-(4-methyl-benzyl)-5,6,7,8-tetrahydr...)
Show SMILES Cc1ccc(CN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
Show InChI InChI=1S/C18H21N5O2/c1-12-5-7-13(8-6-12)11-22-9-4-10-23-14-15(19-17(22)23)20(2)18(25)21(3)16(14)24/h5-8H,4,9-11H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>2.50E+3n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50212804
PNG
(1,3-dimethyl-9-(pyridin-2-ylmethyl)-6,7,8,9-tetrah...)
Show SMILES Cn1c2nc3N(Cc4ccccn4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C16H18N6O2/c1-19-13-12(14(23)20(2)16(19)24)22-9-5-8-21(15(22)18-13)10-11-6-3-4-7-17-11/h3-4,6-7H,5,8-10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.53E+3n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50212811
PNG
(1,3-dimethyl-9-(1-phenylethyl)-6,7,8,9-tetrahydrop...)
Show SMILES CC(N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21)c1ccccc1 |w:1.0|
Show InChI InChI=1S/C18H21N5O2/c1-12(13-8-5-4-6-9-13)22-10-7-11-23-14-15(19-17(22)23)20(2)18(25)21(3)16(14)24/h4-6,8-9,12H,7,10-11H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.84E+3n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50212810
PNG
(9-(furan-2-ylmethyl)-1,3-dimethyl-6,7,8,9-tetrahyd...)
Show SMILES Cn1c2nc3N(Cc4ccco4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C15H17N5O3/c1-17-12-11(13(21)18(2)15(17)22)20-7-4-6-19(14(20)16-12)9-10-5-3-8-23-10/h3,5,8H,4,6-7,9H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.31E+3n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50212806
PNG
(9-(4-fluorobenzyl)-1,3-dipropyl-6,7,8,9-tetrahydro...)
Show SMILES CCCn1c2nc3N(Cc4ccc(F)cc4)CCCn3c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C21H26FN5O2/c1-3-10-26-18-17(19(28)27(11-4-2)21(26)29)25-13-5-12-24(20(25)23-18)14-15-6-8-16(22)9-7-15/h6-9H,3-5,10-14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.43E+3n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50212810
PNG
(9-(furan-2-ylmethyl)-1,3-dimethyl-6,7,8,9-tetrahyd...)
Show SMILES Cn1c2nc3N(Cc4ccco4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C15H17N5O3/c1-17-12-11(13(21)18(2)15(17)22)20-7-4-6-19(14(20)16-12)9-10-5-3-8-23-10/h3,5,8H,4,6-7,9H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.43E+3n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50212799
PNG
(9-benzyl-1,3-dimethyl-6,7,8,9-tetrahydropyrimido[1...)
Show SMILES Cn1c2nc3N(Cc4ccccc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C17H19N5O2/c1-19-14-13(15(23)20(2)17(19)24)22-10-6-9-21(16(22)18-14)11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.58E+3n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50212814
PNG
(9-(4-chlorobenzyl)-1,3-dimethyl-6,7,8,9-tetrahydro...)
Show SMILES Cn1c2nc3N(Cc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C17H18ClN5O2/c1-20-14-13(15(24)21(2)17(20)25)23-9-3-8-22(16(23)19-14)10-11-4-6-12(18)7-5-11/h4-7H,3,8-10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 4.28E+3n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50212802
PNG
(9-(4-methoxybenzyl)-1,3-dimethyl-6,7,8,9-tetrahydr...)
Show SMILES COc1ccc(CN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
Show InChI InChI=1S/C18H21N5O3/c1-20-15-14(16(24)21(2)18(20)25)23-10-4-9-22(17(23)19-15)11-12-5-7-13(26-3)8-6-12/h5-8H,4,9-11H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 5.49E+3n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50212804
PNG
(1,3-dimethyl-9-(pyridin-2-ylmethyl)-6,7,8,9-tetrah...)
Show SMILES Cn1c2nc3N(Cc4ccccn4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C16H18N6O2/c1-19-13-12(14(23)20(2)16(19)24)22-9-5-8-21(15(22)18-13)10-11-6-3-4-7-17-11/h3-4,6-7H,5,8-10H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB11 from human adenosine A3 receptor

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50212798
PNG
(9-(2-methoxybenzyl)-1,3-dimethyl-6,7,8,9-tetrahydr...)
Show SMILES COc1ccccc1CN1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Show InChI InChI=1S/C18H21N5O3/c1-20-15-14(16(24)21(2)18(20)25)23-10-6-9-22(17(23)19-15)11-12-7-4-5-8-13(12)26-3/h4-5,7-8H,6,9-11H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 1.13E+4n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from human adenosine A2A receptor expressed in CHO cells

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50212804
PNG
(1,3-dimethyl-9-(pyridin-2-ylmethyl)-6,7,8,9-tetrah...)
Show SMILES Cn1c2nc3N(Cc4ccccn4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C16H18N6O2/c1-19-13-12(14(23)20(2)16(19)24)22-9-5-8-21(15(22)18-13)10-11-6-3-4-7-17-11/h3-4,6-7H,5,8-10H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.78E+4n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
 1.88E+4n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50212812
PNG
(9-(4-fluorobenzyl)-1,3-dimethyl-6,7,8,9-tetrahydro...)
Show SMILES Cn1c2nc3N(Cc4ccc(F)cc4)CCCn3c2c(=O)n(C)c1=O
Show InChI InChI=1S/C17H18FN5O2/c1-20-14-13(15(24)21(2)17(20)25)23-9-3-8-22(16(23)19-14)10-11-4-6-12(18)7-5-11/h4-7H,3,8-10H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>2.50E+4n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50212802
PNG
(9-(4-methoxybenzyl)-1,3-dimethyl-6,7,8,9-tetrahydr...)
Show SMILES COc1ccc(CN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1
Show InChI InChI=1S/C18H21N5O3/c1-20-15-14(16(24)21(2)18(20)25)23-10-4-9-22(17(23)19-15)11-12-5-7-13(26-3)8-6-12/h5-8H,4,9-11H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>2.50E+4n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50212798
PNG
(9-(2-methoxybenzyl)-1,3-dimethyl-6,7,8,9-tetrahydr...)
Show SMILES COc1ccccc1CN1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Show InChI InChI=1S/C18H21N5O3/c1-20-15-14(16(24)21(2)18(20)25)23-10-6-9-22(17(23)19-15)11-12-7-4-5-8-13(12)26-3/h4-5,7-8H,6,9-11H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>2.50E+4n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


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

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50212798
PNG
(9-(2-methoxybenzyl)-1,3-dimethyl-6,7,8,9-tetrahydr...)
Show SMILES COc1ccccc1CN1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21
Show InChI InChI=1S/C18H21N5O3/c1-20-15-14(16(24)21(2)18(20)25)23-10-6-9-22(17(23)19-15)11-12-7-4-5-8-13(12)26-3/h4-5,7-8H,6,9-11H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>2.50E+4n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM10849
PNG
(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
 3.25E+4n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat striatal membrane

Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
* indicates data uncertainty>20%