BindingDB logo
myBDB logout

Articleid 50034702

Compile data set for download or QSAR
Found 22 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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
 0.600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Adenosine A1 receptor determined by [3H]N6-cyclohexyladenosine binding to rat brain membranes

Bioorg Med Chem Lett 1: 481-486 (1991)


Article DOI: 10.1016/S0960-894X(01)81110-0
BindingDB Entry DOI: 10.7270/Q2K64JJ8
More data for this
Ligand-Target Pair
Adenosine receptor A1


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

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

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



TBA

Curated by ChEMBL


Assay Description
Affinity for Adenosine A1 receptor determined by [3H]N6-cyclohexyladenosine binding to rat brain membranes

Bioorg Med Chem Lett 1: 481-486 (1991)


Article DOI: 10.1016/S0960-894X(01)81110-0
BindingDB Entry DOI: 10.7270/Q2K64JJ8
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM14487
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
 13n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Adenosine A1 receptor determined by [3H]N6-cyclohexyladenosine binding to rat brain membranes

Bioorg Med Chem Lett 1: 481-486 (1991)


Article DOI: 10.1016/S0960-894X(01)81110-0
BindingDB Entry DOI: 10.7270/Q2K64JJ8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50366247
PNG
(CHEMBL608168)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)[nH]c(=O)nc12 |r|
Show InChI InChI=1S/C15H21N5O5/c21-5-8-10(22)11(23)14(25-8)20-6-16-9-12(17-7-3-1-2-4-7)18-15(24)19-13(9)20/h6-8,10-11,14,21-23H,1-5H2,(H2,17,18,19,24)/t8-,10-,11-,14?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
 19n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Adenosine A1 receptor determined by [3H]N6-cyclohexyladenosine binding to rat brain membranes

Bioorg Med Chem Lett 1: 481-486 (1991)


Article DOI: 10.1016/S0960-894X(01)81110-0
BindingDB Entry DOI: 10.7270/Q2K64JJ8
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50366245
PNG
(CHEMBL607881)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(I)nc12 |r|
Show InChI InChI=1S/C15H20IN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
 20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Adenosine A1 receptor determined by [3H]N6-cyclohexyladenosine binding to rat brain membranes

Bioorg Med Chem Lett 1: 481-486 (1991)


Article DOI: 10.1016/S0960-894X(01)81110-0
BindingDB Entry DOI: 10.7270/Q2K64JJ8
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50366248
PNG
(CHEMBL608742)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3C4)[nH]c(=O)nc12 |r|
Show InChI InChI=1S/C17H23N5O5/c23-5-10-12(24)13(25)16(27-10)22-6-18-11-14(20-17(26)21-15(11)22)19-9-4-7-1-2-8(9)3-7/h6-10,12-13,16,23-25H,1-5H2,(H2,19,20,21,26)/t7?,8?,9?,10-,12-,13-,16?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
 35n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Adenosine A1 receptor determined by [3H]N6-cyclohexyladenosine binding to rat brain membranes

Bioorg Med Chem Lett 1: 481-486 (1991)


Article DOI: 10.1016/S0960-894X(01)81110-0
BindingDB Entry DOI: 10.7270/Q2K64JJ8
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM14487
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
 37n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Adenosine A2 receptor determined by [3H]NECA binding to rat striatal membranes

Bioorg Med Chem Lett 1: 481-486 (1991)


Article DOI: 10.1016/S0960-894X(01)81110-0
BindingDB Entry DOI: 10.7270/Q2K64JJ8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50366243
PNG
(CHEMBL608747)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)[nH]c(=O)nc12 |r|
Show InChI InChI=1S/C16H23N5O5/c22-6-9-11(23)12(24)15(26-9)21-7-17-10-13(19-16(25)20-14(10)21)18-8-4-2-1-3-5-8/h7-9,11-12,15,22-24H,1-6H2,(H2,18,19,20,25)/t9-,11-,12-,15?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
 40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Adenosine A1 receptor determined by [3H]N6-cyclohexyladenosine binding to rat brain membranes

Bioorg Med Chem Lett 1: 481-486 (1991)


Article DOI: 10.1016/S0960-894X(01)81110-0
BindingDB Entry DOI: 10.7270/Q2K64JJ8
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50366244
PNG
(CHEMBL608445)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC3)[nH]c(=O)nc12 |r|
Show InChI InChI=1S/C14H19N5O5/c20-4-7-9(21)10(22)13(24-7)19-5-15-8-11(16-6-2-1-3-6)17-14(23)18-12(8)19/h5-7,9-10,13,20-22H,1-4H2,(H2,16,17,18,23)/t7-,9-,10-,13?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
 55n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Adenosine A1 receptor determined by [3H]N6-cyclohexyladenosine binding to rat brain membranes

Bioorg Med Chem Lett 1: 481-486 (1991)


Article DOI: 10.1016/S0960-894X(01)81110-0
BindingDB Entry DOI: 10.7270/Q2K64JJ8
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50366246
PNG
(CHEMBL607606)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCC3)[nH]c(=O)nc12 |r|
Show InChI InChI=1S/C17H25N5O5/c23-7-10-12(24)13(25)16(27-10)22-8-18-11-14(20-17(26)21-15(11)22)19-9-5-3-1-2-4-6-9/h8-10,12-13,16,23-25H,1-7H2,(H2,19,20,21,26)/t10-,12-,13-,16?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



TBA

Curated by ChEMBL


Assay Description
Affinity for Adenosine A1 receptor determined by [3H]N6-cyclohexyladenosine binding to rat brain membranes

Bioorg Med Chem Lett 1: 481-486 (1991)


Article DOI: 10.1016/S0960-894X(01)81110-0
BindingDB Entry DOI: 10.7270/Q2K64JJ8
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM82031
PNG
(2-Oxoado (isoguanosine) | CAS_1818-71-9 | isoguano...)
Show SMILES Nc1[nH]c(=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H13N5O5/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Similars
Article
 94n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Adenosine A1 receptor determined by [3H]N6-cyclohexyladenosine binding to rat brain membranes

Bioorg Med Chem Lett 1: 481-486 (1991)


Article DOI: 10.1016/S0960-894X(01)81110-0
BindingDB Entry DOI: 10.7270/Q2K64JJ8
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM82031
PNG
(2-Oxoado (isoguanosine) | CAS_1818-71-9 | isoguano...)
Show SMILES Nc1[nH]c(=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H13N5O5/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Similars
Article
 331n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Adenosine A2 receptor determined by [3H]NECA binding to rat striatal membranes

Bioorg Med Chem Lett 1: 481-486 (1991)


Article DOI: 10.1016/S0960-894X(01)81110-0
BindingDB Entry DOI: 10.7270/Q2K64JJ8
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
Article
 363n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Adenosine A2 receptor determined by [3H]NECA binding to rat striatal membranes

Bioorg Med Chem Lett 1: 481-486 (1991)


Article DOI: 10.1016/S0960-894X(01)81110-0
BindingDB Entry DOI: 10.7270/Q2K64JJ8
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
 462n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Adenosine A2 receptor determined by [3H]NECA binding to rat striatal membranes

Bioorg Med Chem Lett 1: 481-486 (1991)


Article DOI: 10.1016/S0960-894X(01)81110-0
BindingDB Entry DOI: 10.7270/Q2K64JJ8
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50366246
PNG
(CHEMBL607606)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCC3)[nH]c(=O)nc12 |r|
Show InChI InChI=1S/C17H25N5O5/c23-7-10-12(24)13(25)16(27-10)22-8-18-11-14(20-17(26)21-15(11)22)19-9-5-3-1-2-4-6-9/h8-10,12-13,16,23-25H,1-7H2,(H2,19,20,21,26)/t10-,12-,13-,16?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
 6.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Adenosine A2 receptor determined by [3H]NECA binding to rat striatal membranes

Bioorg Med Chem Lett 1: 481-486 (1991)


Article DOI: 10.1016/S0960-894X(01)81110-0
BindingDB Entry DOI: 10.7270/Q2K64JJ8
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50366247
PNG
(CHEMBL608168)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)[nH]c(=O)nc12 |r|
Show InChI InChI=1S/C15H21N5O5/c21-5-8-10(22)11(23)14(25-8)20-6-16-9-12(17-7-3-1-2-4-7)18-15(24)19-13(9)20/h6-8,10-11,14,21-23H,1-5H2,(H2,17,18,19,24)/t8-,10-,11-,14?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
 7.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Adenosine A2 receptor determined by [3H]NECA binding to rat striatal membranes

Bioorg Med Chem Lett 1: 481-486 (1991)


Article DOI: 10.1016/S0960-894X(01)81110-0
BindingDB Entry DOI: 10.7270/Q2K64JJ8
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50366243
PNG
(CHEMBL608747)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)[nH]c(=O)nc12 |r|
Show InChI InChI=1S/C16H23N5O5/c22-6-9-11(23)12(24)15(26-9)21-7-17-10-13(19-16(25)20-14(10)21)18-8-4-2-1-3-5-8/h7-9,11-12,15,22-24H,1-6H2,(H2,18,19,20,25)/t9-,11-,12-,15?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
 1.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Adenosine A2 receptor determined by [3H]NECA binding to rat striatal membranes

Bioorg Med Chem Lett 1: 481-486 (1991)


Article DOI: 10.1016/S0960-894X(01)81110-0
BindingDB Entry DOI: 10.7270/Q2K64JJ8
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50366244
PNG
(CHEMBL608445)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC3)[nH]c(=O)nc12 |r|
Show InChI InChI=1S/C14H19N5O5/c20-4-7-9(21)10(22)13(24-7)19-5-15-8-11(16-6-2-1-3-6)17-14(23)18-12(8)19/h5-7,9-10,13,20-22H,1-4H2,(H2,16,17,18,23)/t7-,9-,10-,13?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
 1.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Adenosine A2 receptor determined by [3H]NECA binding to rat striatal membranes

Bioorg Med Chem Lett 1: 481-486 (1991)


Article DOI: 10.1016/S0960-894X(01)81110-0
BindingDB Entry DOI: 10.7270/Q2K64JJ8
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50366242
PNG
(CHEMBL608748)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC4CCCCC4C3)[nH]c(=O)nc12 |r|
Show InChI InChI=1S/C20H29N5O5/c26-8-13-15(27)16(28)19(30-13)25-9-21-14-17(23-20(29)24-18(14)25)22-12-6-5-10-3-1-2-4-11(10)7-12/h9-13,15-16,19,26-28H,1-8H2,(H2,22,23,24,29)/t10?,11?,12?,13-,15-,16-,19?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
 3.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Adenosine A1 receptor determined by [3H]N6-cyclohexyladenosine binding to rat brain membranes

Bioorg Med Chem Lett 1: 481-486 (1991)


Article DOI: 10.1016/S0960-894X(01)81110-0
BindingDB Entry DOI: 10.7270/Q2K64JJ8
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50366245
PNG
(CHEMBL607881)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(I)nc12 |r|
Show InChI InChI=1S/C15H20IN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
 4.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Adenosine A2 receptor determined by [3H]NECA binding to rat striatal membranes

Bioorg Med Chem Lett 1: 481-486 (1991)


Article DOI: 10.1016/S0960-894X(01)81110-0
BindingDB Entry DOI: 10.7270/Q2K64JJ8
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50366248
PNG
(CHEMBL608742)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3C4)[nH]c(=O)nc12 |r|
Show InChI InChI=1S/C17H23N5O5/c23-5-10-12(24)13(25)16(27-10)22-6-18-11-14(20-17(26)21-15(11)22)19-9-4-7-1-2-8(9)3-7/h6-10,12-13,16,23-25H,1-5H2,(H2,19,20,21,26)/t7?,8?,9?,10-,12-,13-,16?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
 8.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Adenosine A2 receptor determined by [3H]NECA binding to rat striatal membranes

Bioorg Med Chem Lett 1: 481-486 (1991)


Article DOI: 10.1016/S0960-894X(01)81110-0
BindingDB Entry DOI: 10.7270/Q2K64JJ8
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))		BDBM50366242
PNG
(CHEMBL608748)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC4CCCCC4C3)[nH]c(=O)nc12 |r|
Show InChI InChI=1S/C20H29N5O5/c26-8-13-15(27)16(28)19(30-13)25-9-21-14-17(23-20(29)24-18(14)25)22-12-6-5-10-3-1-2-4-11(10)7-12/h9-13,15-16,19,26-28H,1-8H2,(H2,22,23,24,29)/t10?,11?,12?,13-,15-,16-,19?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
 1.40E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for Adenosine A2 receptor determined by [3H]NECA binding to rat striatal membranes

Bioorg Med Chem Lett 1: 481-486 (1991)


Article DOI: 10.1016/S0960-894X(01)81110-0
BindingDB Entry DOI: 10.7270/Q2K64JJ8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%