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PubMed code 26462195

Compile data set for download or QSAR
Found 29 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))		BDBM21190
PNG
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
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 2.90n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membranes after 1 hr by scintillation counting analysis

Eur J Med Chem 104: 177-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.035
BindingDB Entry DOI: 10.7270/Q20K2CKD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50499055
PNG
(CHEMBL3735985)
Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)-c1cccc(c1)C(=O)N1CCCCC1
Show InChI InChI=1S/C21H22N4O2/c1-14-8-9-19(27-14)18-13-17(23-21(22)24-18)15-6-5-7-16(12-15)20(26)25-10-3-2-4-11-25/h5-9,12-13H,2-4,10-11H2,1H3,(H2,22,23,24)
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 6.30n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membranes after 1 hr by scintillation counting analysis

Eur J Med Chem 104: 177-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.035
BindingDB Entry DOI: 10.7270/Q20K2CKD
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50499055
PNG
(CHEMBL3735985)
Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)-c1cccc(c1)C(=O)N1CCCCC1
Show InChI InChI=1S/C21H22N4O2/c1-14-8-9-19(27-14)18-13-17(23-21(22)24-18)15-6-5-7-16(12-15)20(26)25-10-3-2-4-11-25/h5-9,12-13H,2-4,10-11H2,1H3,(H2,22,23,24)
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 9.5n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain membranes after 1 hr by scintillation counting analysis

Eur J Med Chem 104: 177-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.035
BindingDB Entry DOI: 10.7270/Q20K2CKD
More data for this
Ligand-Target Pair
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
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 10n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain membranes after 1 hr by scintillation counting analysis

Eur J Med Chem 104: 177-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.035
BindingDB Entry DOI: 10.7270/Q20K2CKD
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50499051
PNG
(CHEMBL3736368)
Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)[nH]c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C19H22N4O4/c1-5-22-17-16(18(24)23(6-2)19(22)25)20-15(21-17)10-8-12-7-9-13(26-3)14(11-12)27-4/h7-11H,5-6H2,1-4H3,(H,20,21)/b10-8+
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 11n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membranes after 1 hr by scintillation counting analysis

Eur J Med Chem 104: 177-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.035
BindingDB Entry DOI: 10.7270/Q20K2CKD
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50499053
PNG
(CHEMBL3736116)
Show SMILES CN1CCN(CC1)C(=O)c1cccc(c1)-c1cc(nc(N)n1)-c1ccc(C)o1
Show InChI InChI=1S/C21H23N5O2/c1-14-6-7-19(28-14)18-13-17(23-21(22)24-18)15-4-3-5-16(12-15)20(27)26-10-8-25(2)9-11-26/h3-7,12-13H,8-11H2,1-2H3,(H2,22,23,24)
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 16n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membranes after 1 hr by scintillation counting analysis

Eur J Med Chem 104: 177-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.035
BindingDB Entry DOI: 10.7270/Q20K2CKD
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50499052
PNG
(CHEMBL3735374)
Show SMILES Nc1nc(cc(n1)-c1cccc(Cl)c1)-c1ccccc1
Show InChI InChI=1S/C16H12ClN3/c17-13-8-4-7-12(9-13)15-10-14(19-16(18)20-15)11-5-2-1-3-6-11/h1-10H,(H2,18,19,20)
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 23n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain membranes after 1 hr by scintillation counting analysis

Eur J Med Chem 104: 177-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.035
BindingDB Entry DOI: 10.7270/Q20K2CKD
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50499061
PNG
(CHEMBL3735683)
Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)-c1cccc(c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C20H20N4O3/c1-13-5-6-18(27-13)17-12-16(22-20(21)23-17)14-3-2-4-15(11-14)19(25)24-7-9-26-10-8-24/h2-6,11-12H,7-10H2,1H3,(H2,21,22,23)
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 29n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membranes after 1 hr by scintillation counting analysis

Eur J Med Chem 104: 177-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.035
BindingDB Entry DOI: 10.7270/Q20K2CKD
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50499057
PNG
(CHEMBL3735679)
Show SMILES CCN1CCN(CC1)C(=O)c1cccc(c1)-c1cc(nc(N)n1)-c1ccc(C)o1
Show InChI InChI=1S/C22H25N5O2/c1-3-26-9-11-27(12-10-26)21(28)17-6-4-5-16(13-17)18-14-19(25-22(23)24-18)20-8-7-15(2)29-20/h4-8,13-14H,3,9-12H2,1-2H3,(H2,23,24,25)
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 31n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membranes after 1 hr by scintillation counting analysis

Eur J Med Chem 104: 177-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.035
BindingDB Entry DOI: 10.7270/Q20K2CKD
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50499060
PNG
(CHEMBL3735439)
Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)-c1cccc(c1)C(=O)N1CCCC1
Show InChI InChI=1S/C20H20N4O2/c1-13-7-8-18(26-13)17-12-16(22-20(21)23-17)14-5-4-6-15(11-14)19(25)24-9-2-3-10-24/h4-8,11-12H,2-3,9-10H2,1H3,(H2,21,22,23)
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 37n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain membranes after 1 hr by scintillation counting analysis

Eur J Med Chem 104: 177-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.035
BindingDB Entry DOI: 10.7270/Q20K2CKD
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50499057
PNG
(CHEMBL3735679)
Show SMILES CCN1CCN(CC1)C(=O)c1cccc(c1)-c1cc(nc(N)n1)-c1ccc(C)o1
Show InChI InChI=1S/C22H25N5O2/c1-3-26-9-11-27(12-10-26)21(28)17-6-4-5-16(13-17)18-14-19(25-22(23)24-18)20-8-7-15(2)29-20/h4-8,13-14H,3,9-12H2,1-2H3,(H2,23,24,25)
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 38n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain membranes after 1 hr by scintillation counting analysis

Eur J Med Chem 104: 177-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.035
BindingDB Entry DOI: 10.7270/Q20K2CKD
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50499063
PNG
(CHEMBL3734972)
Show SMILES Nc1nc(cc(n1)-c1cccc(Cl)c1)-c1ccco1
Show InChI InChI=1S/C14H10ClN3O/c15-10-4-1-3-9(7-10)11-8-12(18-14(16)17-11)13-5-2-6-19-13/h1-8H,(H2,16,17,18)
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 39n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain membranes after 1 hr by scintillation counting analysis

Eur J Med Chem 104: 177-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.035
BindingDB Entry DOI: 10.7270/Q20K2CKD
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50499061
PNG
(CHEMBL3735683)
Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)-c1cccc(c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C20H20N4O3/c1-13-5-6-18(27-13)17-12-16(22-20(21)23-17)14-3-2-4-15(11-14)19(25)24-7-9-26-10-8-24/h2-6,11-12H,7-10H2,1H3,(H2,21,22,23)
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 52n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain membranes after 1 hr by scintillation counting analysis

Eur J Med Chem 104: 177-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.035
BindingDB Entry DOI: 10.7270/Q20K2CKD
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50499060
PNG
(CHEMBL3735439)
Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)-c1cccc(c1)C(=O)N1CCCC1
Show InChI InChI=1S/C20H20N4O2/c1-13-7-8-18(26-13)17-12-16(22-20(21)23-17)14-5-4-6-15(11-14)19(25)24-9-2-3-10-24/h4-8,11-12H,2-3,9-10H2,1H3,(H2,21,22,23)
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 58n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membranes after 1 hr by scintillation counting analysis

Eur J Med Chem 104: 177-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.035
BindingDB Entry DOI: 10.7270/Q20K2CKD
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50499059
PNG
(CHEMBL3736461)
Show SMILES COc1cccc(c1)-c1cc(nc(N)n1)-c1ccco1
Show InChI InChI=1S/C15H13N3O2/c1-19-11-5-2-4-10(8-11)12-9-13(18-15(16)17-12)14-6-3-7-20-14/h2-9H,1H3,(H2,16,17,18)
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 61n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain membranes after 1 hr by scintillation counting analysis

Eur J Med Chem 104: 177-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.035
BindingDB Entry DOI: 10.7270/Q20K2CKD
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50499054
PNG
(CHEMBL3736199)
Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C15H12ClN3O/c1-9-5-6-14(20-9)13-8-12(18-15(17)19-13)10-3-2-4-11(16)7-10/h2-8H,1H3,(H2,17,18,19)
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 129n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain membranes after 1 hr by scintillation counting analysis

Eur J Med Chem 104: 177-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.035
BindingDB Entry DOI: 10.7270/Q20K2CKD
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50499053
PNG
(CHEMBL3736116)
Show SMILES CN1CCN(CC1)C(=O)c1cccc(c1)-c1cc(nc(N)n1)-c1ccc(C)o1
Show InChI InChI=1S/C21H23N5O2/c1-14-6-7-19(28-14)18-13-17(23-21(22)24-18)15-4-3-5-16(12-15)20(27)26-10-8-25(2)9-11-26/h3-7,12-13H,8-11H2,1-2H3,(H2,22,23,24)
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 136n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain membranes after 1 hr by scintillation counting analysis

Eur J Med Chem 104: 177-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.035
BindingDB Entry DOI: 10.7270/Q20K2CKD
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50499058
PNG
(CHEMBL3735153)
Show SMILES COc1cccc(c1)-c1cc(nc(N)n1)-c1ccc(C)o1
Show InChI InChI=1S/C16H15N3O2/c1-10-6-7-15(21-10)14-9-13(18-16(17)19-14)11-4-3-5-12(8-11)20-2/h3-9H,1-2H3,(H2,17,18,19)
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 145n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain membranes after 1 hr by scintillation counting analysis

Eur J Med Chem 104: 177-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.035
BindingDB Entry DOI: 10.7270/Q20K2CKD
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50499062
PNG
(CHEMBL3735200)
Show SMILES Nc1nc(cc(n1)-c1ccc(F)cc1)-c1ccco1
Show InChI InChI=1S/C14H10FN3O/c15-10-5-3-9(4-6-10)11-8-12(18-14(16)17-11)13-2-1-7-19-13/h1-8H,(H2,16,17,18)
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 158n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain membranes after 1 hr by scintillation counting analysis

Eur J Med Chem 104: 177-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.035
BindingDB Entry DOI: 10.7270/Q20K2CKD
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50499063
PNG
(CHEMBL3734972)
Show SMILES Nc1nc(cc(n1)-c1cccc(Cl)c1)-c1ccco1
Show InChI InChI=1S/C14H10ClN3O/c15-10-4-1-3-9(7-10)11-8-12(18-14(16)17-11)13-5-2-6-19-13/h1-8H,(H2,16,17,18)
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 245n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membranes after 1 hr by scintillation counting analysis

Eur J Med Chem 104: 177-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.035
BindingDB Entry DOI: 10.7270/Q20K2CKD
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50499059
PNG
(CHEMBL3736461)
Show SMILES COc1cccc(c1)-c1cc(nc(N)n1)-c1ccco1
Show InChI InChI=1S/C15H13N3O2/c1-19-11-5-2-4-10(8-11)12-9-13(18-15(16)17-12)14-6-3-7-20-14/h2-9H,1H3,(H2,16,17,18)
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 249n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membranes after 1 hr by scintillation counting analysis

Eur J Med Chem 104: 177-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.035
BindingDB Entry DOI: 10.7270/Q20K2CKD
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50499062
PNG
(CHEMBL3735200)
Show SMILES Nc1nc(cc(n1)-c1ccc(F)cc1)-c1ccco1
Show InChI InChI=1S/C14H10FN3O/c15-10-5-3-9(4-6-10)11-8-12(18-14(16)17-11)13-2-1-7-19-13/h1-8H,(H2,16,17,18)
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 257n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membranes after 1 hr by scintillation counting analysis

Eur J Med Chem 104: 177-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.035
BindingDB Entry DOI: 10.7270/Q20K2CKD
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50499054
PNG
(CHEMBL3736199)
Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C15H12ClN3O/c1-9-5-6-14(20-9)13-8-12(18-15(17)19-13)10-3-2-4-11(16)7-10/h2-8H,1H3,(H2,17,18,19)
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 399n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membranes after 1 hr by scintillation counting analysis

Eur J Med Chem 104: 177-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.035
BindingDB Entry DOI: 10.7270/Q20K2CKD
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50499058
PNG
(CHEMBL3735153)
Show SMILES COc1cccc(c1)-c1cc(nc(N)n1)-c1ccc(C)o1
Show InChI InChI=1S/C16H15N3O2/c1-10-6-7-15(21-10)14-9-13(18-16(17)19-14)11-4-3-5-12(8-11)20-2/h3-9H,1-2H3,(H2,17,18,19)
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 409n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membranes after 1 hr by scintillation counting analysis

Eur J Med Chem 104: 177-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.035
BindingDB Entry DOI: 10.7270/Q20K2CKD
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50499056
PNG
(CHEMBL3735468)
Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H12ClN3O/c1-9-2-7-14(20-9)13-8-12(18-15(17)19-13)10-3-5-11(16)6-4-10/h2-8H,1H3,(H2,17,18,19)
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 434n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain membranes after 1 hr by scintillation counting analysis

Eur J Med Chem 104: 177-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.035
BindingDB Entry DOI: 10.7270/Q20K2CKD
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50499050
PNG
(CHEMBL3736443)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(N)n1)-c1ccc(C)o1
Show InChI InChI=1S/C17H17N3O3/c1-10-4-6-14(23-10)13-9-12(19-17(18)20-13)11-5-7-15(21-2)16(8-11)22-3/h4-9H,1-3H3,(H2,18,19,20)
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 650n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain membranes after 1 hr by scintillation counting analysis

Eur J Med Chem 104: 177-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.035
BindingDB Entry DOI: 10.7270/Q20K2CKD
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50499052
PNG
(CHEMBL3735374)
Show SMILES Nc1nc(cc(n1)-c1cccc(Cl)c1)-c1ccccc1
Show InChI InChI=1S/C16H12ClN3/c17-13-8-4-7-12(9-13)15-10-14(19-16(18)20-15)11-5-2-1-3-6-11/h1-10H,(H2,18,19,20)
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 948n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membranes after 1 hr by scintillation counting analysis

Eur J Med Chem 104: 177-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.035
BindingDB Entry DOI: 10.7270/Q20K2CKD
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50499050
PNG
(CHEMBL3736443)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(N)n1)-c1ccc(C)o1
Show InChI InChI=1S/C17H17N3O3/c1-10-4-6-14(23-10)13-9-12(19-17(18)20-13)11-5-7-15(21-2)16(8-11)22-3/h4-9H,1-3H3,(H2,18,19,20)
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 2.78E+3n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membranes after 1 hr by scintillation counting analysis

Eur J Med Chem 104: 177-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.035
BindingDB Entry DOI: 10.7270/Q20K2CKD
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50499056
PNG
(CHEMBL3735468)
Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H12ClN3O/c1-9-2-7-14(20-9)13-8-12(18-15(17)19-13)10-3-5-11(16)6-4-10/h2-8H,1H3,(H2,17,18,19)
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 3.32E+3n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membranes after 1 hr by scintillation counting analysis

Eur J Med Chem 104: 177-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.035
BindingDB Entry DOI: 10.7270/Q20K2CKD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%