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Compile Data Set for Download or QSAR

Found 40 hits with Last Name = 'alachouzos' and Initial = 'g'   
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


(Homo sapiens (human))
BDBM50210813
PNG
(CHEMBL3916315)
Show SMILES Nc1ncc(-c2ccc(O)c(Cl)c2)c(n1)-c1ccccc1
Show InChI InChI=1S/C16H12ClN3O/c17-13-8-11(6-7-14(13)21)12-9-19-16(18)20-15(12)10-4-2-1-3-5-10/h1-9,21H,(H2,18,19,20)
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0.460n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50210809
PNG
(CHEMBL3951351)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2ccc(O)c(Cl)c2)c(n1)-c1ccccc1
Show InChI InChI=1S/C22H22ClN3O2/c23-19-12-15(6-11-20(19)28)18-13-24-22(25-16-7-9-17(27)10-8-16)26-21(18)14-4-2-1-3-5-14/h1-6,11-13,16-17,27-28H,7-10H2,(H,24,25,26)/t16-,17-
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0.550n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50210817
PNG
(CHEMBL3966761)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2ccnc(c2)C2CC2)c(n1)-c1ccccc1
Show InChI InChI=1S/C24H26N4O/c29-20-10-8-19(9-11-20)27-24-26-15-21(23(28-24)17-4-2-1-3-5-17)18-12-13-25-22(14-18)16-6-7-16/h1-5,12-16,19-20,29H,6-11H2,(H,26,27,28)/t19-,20-
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1.10n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50210813
PNG
(CHEMBL3916315)
Show SMILES Nc1ncc(-c2ccc(O)c(Cl)c2)c(n1)-c1ccccc1
Show InChI InChI=1S/C16H12ClN3O/c17-13-8-11(6-7-14(13)21)12-9-19-16(18)20-15(12)10-4-2-1-3-5-10/h1-9,21H,(H2,18,19,20)
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1.30n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membranes after 2 hrs by beta scintillation count...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50210801
PNG
(CHEMBL3969553)
Show SMILES Nc1ncc(-c2ccc(O)cc2)c(n1)-c1ccccc1
Show InChI InChI=1S/C16H13N3O/c17-16-18-10-14(11-6-8-13(20)9-7-11)15(19-16)12-4-2-1-3-5-12/h1-10,20H,(H2,17,18,19)
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1.30n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membranes after 2 hrs by beta scintillation count...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50210801
PNG
(CHEMBL3969553)
Show SMILES Nc1ncc(-c2ccc(O)cc2)c(n1)-c1ccccc1
Show InChI InChI=1S/C16H13N3O/c17-16-18-10-14(11-6-8-13(20)9-7-11)15(19-16)12-4-2-1-3-5-12/h1-10,20H,(H2,17,18,19)
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1.40n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50210799
PNG
(CHEMBL3948763)
Show SMILES Nc1ncc(-c2ccnc(c2)C2CC2)c(n1)-c1ccccc1
Show InChI InChI=1S/C18H16N4/c19-18-21-11-15(17(22-18)13-4-2-1-3-5-13)14-8-9-20-16(10-14)12-6-7-12/h1-5,8-12H,6-7H2,(H2,19,21,22)
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1.80n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50210798
PNG
(CHEMBL3930969)
Show SMILES Nc1ncc(-c2ccc(O)c(O)c2)c(n1)-c1ccccc1
Show InChI InChI=1S/C16H13N3O2/c17-16-18-9-12(11-6-7-13(20)14(21)8-11)15(19-16)10-4-2-1-3-5-10/h1-9,20-21H,(H2,17,18,19)
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4.70n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membranes after 2 hrs by beta scintillation count...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50210809
PNG
(CHEMBL3951351)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2ccc(O)c(Cl)c2)c(n1)-c1ccccc1
Show InChI InChI=1S/C22H22ClN3O2/c23-19-12-15(6-11-20(19)28)18-13-24-22(25-16-7-9-17(27)10-8-16)26-21(18)14-4-2-1-3-5-14/h1-6,11-13,16-17,27-28H,7-10H2,(H,24,25,26)/t16-,17-
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7.20n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membranes after 2 hrs by beta scintillation count...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50210818
PNG
(CHEMBL3937015)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2ccc3ccccc3c2)c(n1)-c1ccccc1
Show InChI InChI=1S/C26H25N3O/c30-23-14-12-22(13-15-23)28-26-27-17-24(25(29-26)19-7-2-1-3-8-19)21-11-10-18-6-4-5-9-20(18)16-21/h1-11,16-17,22-23,30H,12-15H2,(H,27,28,29)/t22-,23-
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7.70n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50210798
PNG
(CHEMBL3930969)
Show SMILES Nc1ncc(-c2ccc(O)c(O)c2)c(n1)-c1ccccc1
Show InChI InChI=1S/C16H13N3O2/c17-16-18-9-12(11-6-7-13(20)14(21)8-11)15(19-16)10-4-2-1-3-5-10/h1-9,20-21H,(H2,17,18,19)
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12n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50210807
PNG
(CHEMBL3965184)
Show SMILES Nc1ncc(-c2cccc(c2)C(F)(F)F)c(n1)-c1ccccc1
Show InChI InChI=1S/C17H12F3N3/c18-17(19,20)13-8-4-7-12(9-13)14-10-22-16(21)23-15(14)11-5-2-1-3-6-11/h1-10H,(H2,21,22,23)
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14n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50210815
PNG
(CHEMBL3318881)
Show SMILES Nc1ncc(-c2ccncc2)c(n1)-c1ccccc1
Show InChI InChI=1S/C15H12N4/c16-15-18-10-13(11-6-8-17-9-7-11)14(19-15)12-4-2-1-3-5-12/h1-10H,(H2,16,18,19)
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17n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50210814
PNG
(CHEMBL3977929)
Show SMILES Nc1ncc(-c2ccc3ccccc3c2)c(n1)-c1ccccc1
Show InChI InChI=1S/C20H15N3/c21-20-22-13-18(19(23-20)15-7-2-1-3-8-15)17-11-10-14-6-4-5-9-16(14)12-17/h1-13H,(H2,21,22,23)
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18n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50210811
PNG
(CHEMBL3968282)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2cccc(Cl)c2)c(n1)-c1ccccc1
Show InChI InChI=1S/C22H22ClN3O/c23-17-8-4-7-16(13-17)20-14-24-22(25-18-9-11-19(27)12-10-18)26-21(20)15-5-2-1-3-6-15/h1-8,13-14,18-19,27H,9-12H2,(H,24,25,26)/t18-,19-
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30n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50210819
PNG
(CHEMBL3916959)
Show SMILES COc1ccc(cc1Cl)-c1cnc(N)nc1-c1ccccc1
Show InChI InChI=1S/C17H14ClN3O/c1-22-15-8-7-12(9-14(15)18)13-10-20-17(19)21-16(13)11-5-3-2-4-6-11/h2-10H,1H3,(H2,19,20,21)
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30n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50210799
PNG
(CHEMBL3948763)
Show SMILES Nc1ncc(-c2ccnc(c2)C2CC2)c(n1)-c1ccccc1
Show InChI InChI=1S/C18H16N4/c19-18-21-11-15(17(22-18)13-4-2-1-3-5-13)14-8-9-20-16(10-14)12-6-7-12/h1-5,8-12H,6-7H2,(H2,19,21,22)
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36n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membranes after 2 hrs by beta scintillation count...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50210824
PNG
(CHEMBL3954384)
Show SMILES Nc1ncc(-c2ccc(Cl)c(Cl)c2)c(n1)-c1ccccc1
Show InChI InChI=1S/C16H11Cl2N3/c17-13-7-6-11(8-14(13)18)12-9-20-16(19)21-15(12)10-4-2-1-3-5-10/h1-9H,(H2,19,20,21)
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38n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50210806
PNG
(CHEMBL3926983)
Show SMILES COc1cccc(c1)-c1cnc(N)nc1-c1ccccc1
Show InChI InChI=1S/C17H15N3O/c1-21-14-9-5-8-13(10-14)15-11-19-17(18)20-16(15)12-6-3-2-4-7-12/h2-11H,1H3,(H2,18,19,20)
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54n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50210808
PNG
(CHEMBL3982084)
Show SMILES Nc1ncc(-c2cccc(Cl)c2)c(n1)-c1ccccc1
Show InChI InChI=1S/C16H12ClN3/c17-13-8-4-7-12(9-13)14-10-19-16(18)20-15(14)11-5-2-1-3-6-11/h1-10H,(H2,18,19,20)
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55n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50210805
PNG
(CHEMBL3976804)
Show SMILES OCCCNc1ncc(-c2cccc(Cl)c2)c(n1)-c1ccccc1
Show InChI InChI=1S/C19H18ClN3O/c20-16-9-4-8-15(12-16)17-13-22-19(21-10-5-11-24)23-18(17)14-6-2-1-3-7-14/h1-4,6-9,12-13,24H,5,10-11H2,(H,21,22,23)
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59n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50210817
PNG
(CHEMBL3966761)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2ccnc(c2)C2CC2)c(n1)-c1ccccc1
Show InChI InChI=1S/C24H26N4O/c29-20-10-8-19(9-11-20)27-24-26-15-21(23(28-24)17-4-2-1-3-5-17)18-12-13-25-22(14-18)16-6-7-16/h1-5,12-16,19-20,29H,6-11H2,(H,26,27,28)/t19-,20-
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65n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membranes after 2 hrs by beta scintillation count...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50210812
PNG
(CHEMBL3955789)
Show SMILES Clc1cccc(c1)-c1cnc(NC2CCCC2)nc1-c1ccccc1
Show InChI InChI=1S/C21H20ClN3/c22-17-10-6-9-16(13-17)19-14-23-21(24-18-11-4-5-12-18)25-20(19)15-7-2-1-3-8-15/h1-3,6-10,13-14,18H,4-5,11-12H2,(H,23,24,25)
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94n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50210807
PNG
(CHEMBL3965184)
Show SMILES Nc1ncc(-c2cccc(c2)C(F)(F)F)c(n1)-c1ccccc1
Show InChI InChI=1S/C17H12F3N3/c18-17(19,20)13-8-4-7-12(9-13)14-10-22-16(21)23-15(14)11-5-2-1-3-6-11/h1-10H,(H2,21,22,23)
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98n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membranes after 2 hrs by beta scintillation count...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50210821
PNG
(CHEMBL3926610)
Show SMILES COc1ccc(cc1OC)-c1cnc(N)nc1-c1ccccc1
Show InChI InChI=1S/C18H17N3O2/c1-22-15-9-8-13(10-16(15)23-2)14-11-20-18(19)21-17(14)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,19,20,21)
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104n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50210823
PNG
(CHEMBL3949808)
Show SMILES CCCC(=O)Nc1ncc(-c2cccc(Cl)c2)c(n1)-c1ccccc1
Show InChI InChI=1S/C20H18ClN3O/c1-2-7-18(25)23-20-22-13-17(15-10-6-11-16(21)12-15)19(24-20)14-8-4-3-5-9-14/h3-6,8-13H,2,7H2,1H3,(H,22,23,24,25)
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106n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50210815
PNG
(CHEMBL3318881)
Show SMILES Nc1ncc(-c2ccncc2)c(n1)-c1ccccc1
Show InChI InChI=1S/C15H12N4/c16-15-18-10-13(11-6-8-17-9-7-11)14(19-15)12-4-2-1-3-5-12/h1-10H,(H2,16,18,19)
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108n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membranes after 2 hrs by beta scintillation count...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50210808
PNG
(CHEMBL3982084)
Show SMILES Nc1ncc(-c2cccc(Cl)c2)c(n1)-c1ccccc1
Show InChI InChI=1S/C16H12ClN3/c17-13-8-4-7-12(9-13)14-10-19-16(18)20-15(14)11-5-2-1-3-6-11/h1-10H,(H2,18,19,20)
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120n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membranes after 2 hrs by beta scintillation count...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50210814
PNG
(CHEMBL3977929)
Show SMILES Nc1ncc(-c2ccc3ccccc3c2)c(n1)-c1ccccc1
Show InChI InChI=1S/C20H15N3/c21-20-22-13-18(19(23-20)15-7-2-1-3-8-15)17-11-10-14-6-4-5-9-16(14)12-17/h1-13H,(H2,21,22,23)
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129n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membranes after 2 hrs by beta scintillation count...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50210822
PNG
(CHEMBL3956222)
Show SMILES OCCCCNc1ncc(-c2cccc(Cl)c2)c(n1)-c1ccccc1
Show InChI InChI=1S/C20H20ClN3O/c21-17-10-6-9-16(13-17)18-14-23-20(22-11-4-5-12-25)24-19(18)15-7-2-1-3-8-15/h1-3,6-10,13-14,25H,4-5,11-12H2,(H,22,23,24)
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130n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50210820
PNG
(CHEMBL3939987)
Show SMILES Nc1ncc(-c2cccc(O)c2)c(n1)-c1ccccc1
Show InChI InChI=1S/C16H13N3O/c17-16-18-10-14(12-7-4-8-13(20)9-12)15(19-16)11-5-2-1-3-6-11/h1-10,20H,(H2,17,18,19)
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144n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50210806
PNG
(CHEMBL3926983)
Show SMILES COc1cccc(c1)-c1cnc(N)nc1-c1ccccc1
Show InChI InChI=1S/C17H15N3O/c1-21-14-9-5-8-13(10-14)15-11-19-17(18)20-16(15)12-6-3-2-4-7-12/h2-11H,1H3,(H2,18,19,20)
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154n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membranes after 2 hrs by beta scintillation count...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50210800
PNG
(CHEMBL3903115)
Show SMILES Nc1ncc(-c2ccc(F)cc2)c(n1)-c1ccccc1
Show InChI InChI=1S/C16H12FN3/c17-13-8-6-11(7-9-13)14-10-19-16(18)20-15(14)12-4-2-1-3-5-12/h1-10H,(H2,18,19,20)
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160n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50210797
PNG
(CHEMBL3947529)
Show SMILES OCCNc1ncc(-c2cccc(Cl)c2)c(n1)-c1ccccc1
Show InChI InChI=1S/C18H16ClN3O/c19-15-8-4-7-14(11-15)16-12-21-18(20-9-10-23)22-17(16)13-5-2-1-3-6-13/h1-8,11-12,23H,9-10H2,(H,20,21,22)
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180n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50210816
PNG
(CHEMBL3931878)
Show SMILES Cc1cccc(c1)-c1cnc(N)nc1-c1ccccc1
Show InChI InChI=1S/C17H15N3/c1-12-6-5-9-14(10-12)15-11-19-17(18)20-16(15)13-7-3-2-4-8-13/h2-11H,1H3,(H2,18,19,20)
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205n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50210819
PNG
(CHEMBL3916959)
Show SMILES COc1ccc(cc1Cl)-c1cnc(N)nc1-c1ccccc1
Show InChI InChI=1S/C17H14ClN3O/c1-22-15-8-7-12(9-14(15)18)13-10-20-17(19)21-16(13)11-5-3-2-4-6-11/h2-10H,1H3,(H2,19,20,21)
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251n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membranes after 2 hrs by beta scintillation count...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50210818
PNG
(CHEMBL3937015)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2ccc3ccccc3c2)c(n1)-c1ccccc1
Show InChI InChI=1S/C26H25N3O/c30-23-14-12-22(13-15-23)28-26-27-17-24(25(29-26)19-7-2-1-3-8-19)21-11-10-18-6-4-5-9-20(18)16-21/h1-11,16-17,22-23,30H,12-15H2,(H,27,28,29)/t22-,23-
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1.39E+3n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membranes after 2 hrs by beta scintillation count...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50210818
PNG
(CHEMBL3937015)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2ccc3ccccc3c2)c(n1)-c1ccccc1
Show InChI InChI=1S/C26H25N3O/c30-23-14-12-22(13-15-23)28-26-27-17-24(25(29-26)19-7-2-1-3-8-19)21-11-10-18-6-4-5-9-20(18)16-21/h1-11,16-17,22-23,30H,12-15H2,(H,27,28,29)/t22-,23-
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n/an/a 1.00E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB603 from recombinant human adenosine A2B receptor expressed in HEK293 cell membranes after 1 hr by beta scintillation counting...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50210811
PNG
(CHEMBL3968282)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2cccc(Cl)c2)c(n1)-c1ccccc1
Show InChI InChI=1S/C22H22ClN3O/c23-17-8-4-7-16(13-17)20-14-24-22(25-18-9-11-19(27)12-10-18)26-21(20)15-5-2-1-3-6-15/h1-8,13-14,18-19,27H,9-12H2,(H,24,25,26)/t18-,19-
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n/an/an/an/a 278n/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inverse agonist activity at recombinant human adenosine A1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50210818
PNG
(CHEMBL3937015)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2ccc3ccccc3c2)c(n1)-c1ccccc1
Show InChI InChI=1S/C26H25N3O/c30-23-14-12-22(13-15-23)28-26-27-17-24(25(29-26)19-7-2-1-3-8-19)21-11-10-18-6-4-5-9-20(18)16-21/h1-11,16-17,22-23,30H,12-15H2,(H,27,28,29)/t22-,23-
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n/an/an/an/a 166n/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inverse agonist activity at recombinant human adenosine A1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair