BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 226 hits from CV Therapeutics, Inc.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A1


(Homo sapiens (human))
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor by using as [3H]-CPX iradioligand n membranes from Chinese hamster ovary cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2a receptor by using as [3H]-ZM-241,385 radioligand in membranes from HEK-A2A cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine receptor A2b


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

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2b receptor labeled by [3H]-ZM-241,385 in membranes prepared from HEK-A2B cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50159970
PNG
(8-{4-[5-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1
Show InChI InChI=1S/C27H28N6O5/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)17-10-12-18(13-11-17)37-16-21-28-25(38-31-21)19-8-6-7-9-20(19)36-3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A3 receptor by displacement of specific binding of [125I]-AB-MECA in membranes prepared from CHO-A3 cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50159960
PNG
(8-{4-[3-(3-Chloro-phenyl)-[1,2,4]oxadiazol-5-ylmet...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H25ClN6O4/c1-3-12-32-24-21(25(34)33(13-4-2)26(32)35)29-22(30-24)16-8-10-19(11-9-16)36-15-20-28-23(31-37-20)17-6-5-7-18(27)14-17/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.40n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor by using as [3H]-CPX (0.5 nM) radioligand in membranes from Chinese hamster ovary cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50159959
PNG
(8-{4-[3-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-5-ylmet...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H25FN6O4/c1-3-13-32-24-21(25(34)33(14-4-2)26(32)35)29-22(30-24)16-7-11-19(12-8-16)36-15-20-28-23(31-37-20)17-5-9-18(27)10-6-17/h5-12H,3-4,13-15H2,1-2H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor by using as [3H]-CPX radioligand in membranes from Chinese hamster ovary cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50159970
PNG
(8-{4-[5-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1
Show InChI InChI=1S/C27H28N6O5/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)17-10-12-18(13-11-17)37-16-21-28-25(38-31-21)19-8-6-7-9-20(19)36-3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
9n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor labeled by [3H]-CPX in membranes prepared from Chinese hamster ovary cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
Article
PubMed
14n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A3 receptor by displacement of specific binding of [125I]-AB-MECA in membranes from CHO-A3 cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
20n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 19.5+/-12.0


Bioorg Med Chem Lett 14: 3793-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.096
BindingDB Entry DOI: 10.7270/Q20Z73TX
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50159959
PNG
(8-{4-[3-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-5-ylmet...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H25FN6O4/c1-3-13-32-24-21(25(34)33(14-4-2)26(32)35)29-22(30-24)16-7-11-19(12-8-16)36-15-20-28-23(31-37-20)17-5-9-18(27)10-6-17/h5-12H,3-4,13-15H2,1-2H3,(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
>23n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2a receptor labeled by [3H]-ZM-241,385 in membranes from HEK-A2A cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50159970
PNG
(8-{4-[5-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1
Show InChI InChI=1S/C27H28N6O5/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)17-10-12-18(13-11-17)37-16-21-28-25(38-31-21)19-8-6-7-9-20(19)36-3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
23n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2a receptor labeled by [3H]-ZM-241,385 in membranes prepared from HEK-A2A cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50159959
PNG
(8-{4-[3-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-5-ylmet...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H25FN6O4/c1-3-13-32-24-21(25(34)33(14-4-2)26(32)35)29-22(30-24)16-7-11-19(12-8-16)36-15-20-28-23(31-37-20)17-5-9-18(27)10-6-17/h5-12H,3-4,13-15H2,1-2H3,(H,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A3 receptor by displacement of specific binding of [125I]-AB-MECA in membranes from CHO-A3 cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50159960
PNG
(8-{4-[3-(3-Chloro-phenyl)-[1,2,4]oxadiazol-5-ylmet...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H25ClN6O4/c1-3-12-32-24-21(25(34)33(13-4-2)26(32)35)29-22(30-24)16-8-10-19(11-9-16)36-15-20-28-23(31-37-20)17-6-5-7-18(27)14-17/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,29,30)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
42n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50159975
PNG
(8-{4-[5-(3-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(OC)c2)cc1
Show InChI InChI=1S/C27H28N6O5/c1-4-13-32-24-22(26(34)33(14-5-2)27(32)35)29-23(30-24)17-9-11-19(12-10-17)37-16-21-28-25(38-31-21)18-7-6-8-20(15-18)36-3/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,29,30)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
50n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50159972
PNG
(1,3-Dipropyl-8-[4-(5-p-tolyl-[1,2,4]oxadiazol-3-yl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(C)cc2)cc1
Show InChI InChI=1S/C27H28N6O4/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)18-10-12-20(13-11-18)36-16-21-28-25(37-31-21)19-8-6-17(3)7-9-19/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
91n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50159972
PNG
(1,3-Dipropyl-8-[4-(5-p-tolyl-[1,2,4]oxadiazol-3-yl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(C)cc2)cc1
Show InChI InChI=1S/C27H28N6O4/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)18-10-12-20(13-11-18)36-16-21-28-25(37-31-21)19-8-6-17(3)7-9-19/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
113n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor by using as [3H]-CPX (0.5 nM) radioligand in membranes from Chinese hamster ovary cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50366924
PNG
(CHEMBL609539)
Show SMILES O[C@@H]1[C@@H](COc2ccccc2F)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C20H22FN5O5/c21-12-3-1-2-4-13(12)30-8-14-16(27)17(28)20(31-14)26-10-24-15-18(22-9-23-19(15)26)25-11-5-6-29-7-11/h1-4,9-11,14,16-17,20,27-28H,5-8H2,(H,22,23,25)/t11?,14-,16-,17-,20?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
117n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 117+/-46


Bioorg Med Chem Lett 14: 3793-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.096
BindingDB Entry DOI: 10.7270/Q20Z73TX
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50159970
PNG
(8-{4-[5-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1
Show InChI InChI=1S/C27H28N6O5/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)17-10-12-18(13-11-17)37-16-21-28-25(38-31-21)19-8-6-7-9-20(19)36-3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
127n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50159970
PNG
(8-{4-[5-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2OC)cc1
Show InChI InChI=1S/C27H28N6O5/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)17-10-12-18(13-11-17)37-16-21-28-25(38-31-21)19-8-6-7-9-20(19)36-3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
127n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2b receptor labeled by [3H]-ZM-241,385 in membranes prepared from HEK-A2B cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50452006
PNG
(CHEMBL610371)
Show SMILES O[C@@H]1[C@@H](CSc2nccs2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C17H20N6O4S2/c24-12-10(6-29-17-18-2-4-28-17)27-16(13(12)25)23-8-21-11-14(19-7-20-15(11)23)22-9-1-3-26-5-9/h2,4,7-10,12-13,16,24-25H,1,3,5-6H2,(H,19,20,22)/t9?,10-,12-,13-,16?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
158n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 158+/-21


Bioorg Med Chem Lett 14: 3793-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.096
BindingDB Entry DOI: 10.7270/Q20Z73TX
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50451992
PNG
(CHEMBL609537)
Show SMILES O[C@@H]1[C@@H](COCc2ccccc2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C21H25N5O5/c27-17-15(10-30-8-13-4-2-1-3-5-13)31-21(18(17)28)26-12-24-16-19(22-11-23-20(16)26)25-14-6-7-29-9-14/h1-5,11-12,14-15,17-18,21,27-28H,6-10H2,(H,22,23,25)/t14?,15-,17-,18-,21?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
165n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane


Bioorg Med Chem Lett 14: 3793-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.096
BindingDB Entry DOI: 10.7270/Q20Z73TX
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50451996
PNG
(CHEMBL608020)
Show SMILES O[C@@H]1[C@@H](CSc2nccs2)OC([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C18H22N6O3S2/c25-13-11(7-29-18-19-5-6-28-18)27-17(14(13)26)24-9-22-12-15(20-8-21-16(12)24)23-10-3-1-2-4-10/h5-6,8-11,13-14,17,25-26H,1-4,7H2,(H,20,21,23)/t11-,13-,14-,17?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
166n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 166+/-75


Bioorg Med Chem Lett 14: 3793-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.096
BindingDB Entry DOI: 10.7270/Q20Z73TX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50159975
PNG
(8-{4-[5-(3-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(OC)c2)cc1
Show InChI InChI=1S/C27H28N6O5/c1-4-13-32-24-22(26(34)33(14-5-2)27(32)35)29-23(30-24)17-9-11-19(12-10-17)37-16-21-28-25(38-31-21)18-7-6-8-20(15-18)36-3/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>167n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A3 receptor by displacement of specific binding of [125I]-AB-MECA in membranes prepared from CHO-A3 cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50451986
PNG
(CHEMBL608343)
Show SMILES Cc1cc(COC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(NC4CCOC4)ncnc23)no1
Show InChI InChI=1S/C19H24N6O6/c1-10-4-12(24-31-10)6-29-7-13-15(26)16(27)19(30-13)25-9-22-14-17(20-8-21-18(14)25)23-11-2-3-28-5-11/h4,8-9,11,13,15-16,19,26-27H,2-3,5-7H2,1H3,(H,20,21,23)/t11?,13-,15-,16-,19?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
192n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane


Bioorg Med Chem Lett 14: 3793-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.096
BindingDB Entry DOI: 10.7270/Q20Z73TX
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50159975
PNG
(8-{4-[5-(3-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(OC)c2)cc1
Show InChI InChI=1S/C27H28N6O5/c1-4-13-32-24-22(26(34)33(14-5-2)27(32)35)29-23(30-24)17-9-11-19(12-10-17)37-16-21-28-25(38-31-21)18-7-6-8-20(15-18)36-3/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
>200n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2a receptor labeled by [3H]-ZM-241,385 in membranes prepared from HEK-A2A cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50159975
PNG
(8-{4-[5-(3-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2cccc(OC)c2)cc1
Show InChI InChI=1S/C27H28N6O5/c1-4-13-32-24-22(26(34)33(14-5-2)27(32)35)29-23(30-24)17-9-11-19(12-10-17)37-16-21-28-25(38-31-21)18-7-6-8-20(15-18)36-3/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>200n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor labeled by [3H]-CPX in membranes prepared from Chinese hamster ovary cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50159969
PNG
(4-{3-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C27H25N7O4/c1-3-13-33-24-22(26(35)34(14-4-2)27(33)36)30-23(31-24)18-9-11-20(12-10-18)37-16-21-29-25(38-32-21)19-7-5-17(15-28)6-8-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,30,31)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
207n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine receptor A1


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
210n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor labeled by [3H]-CPX in membranes prepared from Chinese hamster ovary cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50159959
PNG
(8-{4-[3-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-5-ylmet...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H25FN6O4/c1-3-13-32-24-21(25(34)33(14-4-2)26(32)35)29-22(30-24)16-7-11-19(12-8-16)36-15-20-28-23(31-37-20)17-5-9-18(27)10-6-17/h5-12H,3-4,13-15H2,1-2H3,(H,29,30)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
215n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50159959
PNG
(8-{4-[3-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-5-ylmet...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H25FN6O4/c1-3-13-32-24-21(25(34)33(14-4-2)26(32)35)29-22(30-24)16-7-11-19(12-8-16)36-15-20-28-23(31-37-20)17-5-9-18(27)10-6-17/h5-12H,3-4,13-15H2,1-2H3,(H,29,30)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
215n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 radioligand in membranes from HEK-A2B cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50159971
PNG
(8-{4-[5-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-3-ylmet...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H25FN6O4/c1-3-13-32-23-21(25(34)33(14-4-2)26(32)35)29-22(30-23)16-7-11-19(12-8-16)36-15-20-28-24(37-31-20)17-5-9-18(27)10-6-17/h5-12H,3-4,13-15H2,1-2H3,(H,29,30)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
220n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50159964
PNG
(8-{4-[5-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-3-ylme...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C27H28N6O5/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)17-6-12-20(13-7-17)37-16-21-28-25(38-31-21)18-8-10-19(36-3)11-9-18/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50159968
PNG
(1,3-Dipropyl-8-{4-[5-(4-trifluoromethyl-phenyl)-[1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H25F3N6O4/c1-3-13-35-23-21(25(37)36(14-4-2)26(35)38)32-22(33-23)16-7-11-19(12-8-16)39-15-20-31-24(40-34-20)17-5-9-18(10-6-17)27(28,29)30/h5-12H,3-4,13-15H2,1-2H3,(H,32,33)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
255n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine receptor A2a


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

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>260n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2a receptor labeled by [3H]-ZM-241,385 in membranes prepared from HEK-A2A cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50451998
PNG
(CHEMBL611856)
Show SMILES O[C@@H]1[C@@H](CSc2ccccc2F)OC([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C21H24FN5O3S/c22-13-7-3-4-8-15(13)31-9-14-17(28)18(29)21(30-14)27-11-25-16-19(23-10-24-20(16)27)26-12-5-1-2-6-12/h3-4,7-8,10-12,14,17-18,21,28-29H,1-2,5-6,9H2,(H,23,24,26)/t14-,17-,18-,21?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
287n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 287+/-125


Bioorg Med Chem Lett 14: 3793-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.096
BindingDB Entry DOI: 10.7270/Q20Z73TX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50159969
PNG
(4-{3-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C27H25N7O4/c1-3-13-33-24-22(26(35)34(14-4-2)27(33)36)30-23(31-24)18-9-11-20(12-10-18)37-16-21-29-25(38-32-21)19-7-5-17(15-28)6-8-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
288n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor by using as [3H]-CPX (0.5 nM) radioligand in membranes from Chinese hamster ovary cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine receptor A3


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

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>290n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A3 receptor by displacement of specific binding of [125I]-AB-MECA in membranes prepared from CHO-A3 cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50159981
PNG
(1,3-Dipropyl-8-{4-[3-(2-trifluoromethyl-phenyl)-[1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C27H25F3N6O4/c1-3-13-35-24-21(25(37)36(14-4-2)26(35)38)32-22(33-24)16-9-11-17(12-10-16)39-15-20-31-23(34-40-20)18-7-5-6-8-19(18)27(28,29)30/h5-12H,3-4,13-15H2,1-2H3,(H,32,33)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50451989
PNG
(CHEMBL608642)
Show SMILES O[C@@H]1[C@@H](CSc2ccccc2Cl)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C20H22ClN5O4S/c21-12-3-1-2-4-14(12)31-8-13-16(27)17(28)20(30-13)26-10-24-15-18(22-9-23-19(15)26)25-11-5-6-29-7-11/h1-4,9-11,13,16-17,20,27-28H,5-8H2,(H,22,23,25)/t11?,13-,16-,17-,20?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
338n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 338+/-98


Bioorg Med Chem Lett 14: 3793-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.096
BindingDB Entry DOI: 10.7270/Q20Z73TX
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50451983
PNG
(CHEMBL610953)
Show SMILES O[C@@H]1[C@@H](COc2ccc(F)cc2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C20H22FN5O5/c21-11-1-3-13(4-2-11)30-8-14-16(27)17(28)20(31-14)26-10-24-15-18(22-9-23-19(15)26)25-12-5-6-29-7-12/h1-4,9-10,12,14,16-17,20,27-28H,5-8H2,(H,22,23,25)/t12?,14-,16-,17-,20?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
343n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 343+/-137


Bioorg Med Chem Lett 14: 3793-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.096
BindingDB Entry DOI: 10.7270/Q20Z73TX
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50452003
PNG
(CHEMBL609532)
Show SMILES COc1ccc2sc(SC[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(NC5CCCC5)ncnc34)nc2c1
Show InChI InChI=1S/C23H26N6O4S2/c1-32-13-6-7-16-14(8-13)28-23(35-16)34-9-15-18(30)19(31)22(33-15)29-11-26-17-20(24-10-25-21(17)29)27-12-4-2-3-5-12/h6-8,10-12,15,18-19,22,30-31H,2-5,9H2,1H3,(H,24,25,27)/t15-,18-,19-,22?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
354n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 354+/-113


Bioorg Med Chem Lett 14: 3793-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.096
BindingDB Entry DOI: 10.7270/Q20Z73TX
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50451994
PNG
(CHEMBL608940)
Show SMILES O[C@@H]1[C@@H](CSc2nc3ccccc3s2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C21H22N6O4S2/c28-16-13(8-32-21-26-12-3-1-2-4-14(12)33-21)31-20(17(16)29)27-10-24-15-18(22-9-23-19(15)27)25-11-5-6-30-7-11/h1-4,9-11,13,16-17,20,28-29H,5-8H2,(H,22,23,25)/t11?,13-,16-,17-,20?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
400n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 400+/-38


Bioorg Med Chem Lett 14: 3793-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.096
BindingDB Entry DOI: 10.7270/Q20Z73TX
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50159960
PNG
(8-{4-[3-(3-Chloro-phenyl)-[1,2,4]oxadiazol-5-ylmet...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H25ClN6O4/c1-3-12-32-24-21(25(34)33(13-4-2)26(32)35)29-22(30-24)16-8-10-19(11-9-16)36-15-20-28-23(31-37-20)17-6-5-7-18(27)14-17/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
407n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2a receptor by using as [3H]-ZM-241,385 (2 nM) radioligand in membranes from HEK-A2A cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50159966
PNG
(1,3-Dipropyl-8-[4-(5-o-tolyl-[1,2,4]oxadiazol-3-yl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2noc(n2)-c2ccccc2C)cc1
Show InChI InChI=1S/C27H28N6O4/c1-4-14-32-24-22(26(34)33(15-5-2)27(32)35)29-23(30-24)18-10-12-19(13-11-18)36-16-21-28-25(37-31-21)20-9-7-6-8-17(20)3/h6-13H,4-5,14-16H2,1-3H3,(H,29,30)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
438n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50159981
PNG
(1,3-Dipropyl-8-{4-[3-(2-trifluoromethyl-phenyl)-[1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C27H25F3N6O4/c1-3-13-35-24-21(25(37)36(14-4-2)26(35)38)32-22(33-24)16-9-11-17(12-10-16)39-15-20-31-23(34-40-20)18-7-5-6-8-19(18)27(28,29)30/h5-12H,3-4,13-15H2,1-2H3,(H,32,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
473n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor by using as [3H]-CPX (0.5 nM) radioligand in membranes from Chinese hamster ovary cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50452005
PNG
(CHEMBL612173)
Show SMILES O[C@@H]1[C@@H](COc2ccccc2Cl)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C20H22ClN5O5/c21-12-3-1-2-4-13(12)30-8-14-16(27)17(28)20(31-14)26-10-24-15-18(22-9-23-19(15)26)25-11-5-6-29-7-11/h1-4,9-11,14,16-17,20,27-28H,5-8H2,(H,22,23,25)/t11?,14-,16-,17-,20?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
473n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 473+/-329


Bioorg Med Chem Lett 14: 3793-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.096
BindingDB Entry DOI: 10.7270/Q20Z73TX
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50159958
PNG
(1,3-Dipropyl-8-{4-[3-(4-trifluoromethyl-phenyl)-[1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCc2nc(no2)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H25F3N6O4/c1-3-13-35-24-21(25(37)36(14-4-2)26(35)38)32-22(33-24)16-7-11-19(12-8-16)39-15-20-31-23(34-40-20)17-5-9-18(10-6-17)27(28,29)30/h5-12H,3-4,13-15H2,1-2H3,(H,32,33)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
485n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A2b receptor by using as [3H]-ZM-241,385 (14 nM) radioligand in membranes from HEK-A2B cells


Bioorg Med Chem Lett 15: 609-12 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.044
BindingDB Entry DOI: 10.7270/Q29K49QX
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50451982
PNG
(CHEMBL2092779)
Show SMILES O[C@@H]1[C@@H](CSc2ccc(F)cc2F)O[C@H]([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C20H21F2N5O4S/c21-10-1-2-14(12(22)5-10)32-7-13-16(28)17(29)20(31-13)27-9-25-15-18(23-8-24-19(15)27)26-11-3-4-30-6-11/h1-2,5,8-9,11,13,16-17,20,28-29H,3-4,6-7H2,(H,23,24,26)/t11?,13-,16-,17-,20-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
494n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Agonistic activity against adenosine A1 receptor in guinea pig isolated hearts


Bioorg Med Chem Lett 14: 3793-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.096
BindingDB Entry DOI: 10.7270/Q20Z73TX
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50451985
PNG
(CHEMBL612179)
Show SMILES Cc1ccccc1OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C21H25N5O5/c1-12-4-2-3-5-14(12)30-9-15-17(27)18(28)21(31-15)26-11-24-16-19(22-10-23-20(16)26)25-13-6-7-29-8-13/h2-5,10-11,13,15,17-18,21,27-28H,6-9H2,1H3,(H,22,23,25)/t13?,15-,17-,18-,21?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
503n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 503+/-262


Bioorg Med Chem Lett 14: 3793-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.096
BindingDB Entry DOI: 10.7270/Q20Z73TX
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50267574
PNG
(CHEMBL489638 | N6-Tetrahydrofuranyl-9H-[5-deoxy-5-...)
Show SMILES O[C@@H]1[C@@H](CSc2ccccc2F)O[C@H]([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show InChI InChI=1S/C20H22FN5O4S/c21-12-3-1-2-4-14(12)31-8-13-16(27)17(28)20(30-13)26-10-24-15-18(22-9-23-19(15)26)25-11-5-6-29-7-11/h1-4,9-11,13,16-17,20,27-28H,5-8H2,(H,22,23,25)/t11?,13-,16-,17-,20-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
506n/an/an/an/an/an/an/an/a



CV Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 506+/-111


Bioorg Med Chem Lett 14: 3793-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.096
BindingDB Entry DOI: 10.7270/Q20Z73TX
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 226 total )  |  Next  |  Last  >>
Jump to: