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Compile Data Set for Download or QSAR

Found 7151 hits of ki data for polymerid = 2135,4341   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM?mit=repeat
Kd
nM
EC50/IC50
nM?mit=repeat
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50082423
PNG
(2-(furan-2-yl)-8-(3-phenylpropyl)-8H-pyrazolo[4,3-...)
Show SMILES Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H17N7O/c20-19-22-16-14(18-21-17(24-26(18)19)15-9-5-11-27-15)12-25(23-16)10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,22,23)
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4.27E+5n/an/an/an/an/an/an/an/a



University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS)

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins


Bioorg Med Chem Lett 21: 818-23 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.094
BindingDB Entry DOI: 10.7270/Q2XP766Q
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067103
PNG
(2,5-Dimethyl-N-(3-pyridin-2-yl-isoquinolin-1-yl)-b...)
Show SMILES Cc1ccc(C)c(c1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C23H19N3O/c1-15-10-11-16(2)19(13-15)23(27)26-22-18-8-4-3-7-17(18)14-21(25-22)20-9-5-6-12-24-20/h3-14H,1-2H3,(H,25,26,27)
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4.30E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.


J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50364045
PNG
(CHEMBL1950554)
Show SMILES Nc1nc(N=NCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h8-10,12-13,16,25-27H,1-7H2,(H2,18,21,22)/t10-,12-,13-,16-/m1/s1
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4.30E+5n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor


Bioorg Med Chem 21: 436-47 (2012)


Article DOI: 10.1016/j.bmc.2012.11.021
BindingDB Entry DOI: 10.7270/Q2ST7R51
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067100
PNG
(CHEMBL130054 | N-Benzoyl-N-(2-pyridin-2-yl-quinazo...)
Show SMILES O=C(N(C(=O)c1ccccc1)c1nc(nc2ccccc12)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C27H18N4O2/c32-26(19-11-3-1-4-12-19)31(27(33)20-13-5-2-6-14-20)25-21-15-7-8-16-22(21)29-24(30-25)23-17-9-10-18-28-23/h1-18H
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4.70E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.


J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50088476
PNG
(1-Phenyl-3-(2-pyridin-2-yl-quinazolin-4-yl)-urea |...)
Show SMILES O=C(Nc1ccccc1)Nc1nc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C20H15N5O/c26-20(22-14-8-2-1-3-9-14)25-18-15-10-4-5-11-16(15)23-19(24-18)17-12-6-7-13-21-17/h1-13H,(H2,22,23,24,25,26)
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4.95E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells


J Med Chem 43: 2227-38 (2000)


Article DOI: 10.1021/jm000002u
BindingDB Entry DOI: 10.7270/Q2T72GNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067092
PNG
(4-Methyl-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benza...)
Show SMILES Cc1ccc(cc1)C(N)=Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C22H18N4/c1-15-9-11-16(12-10-15)21(23)26-22-18-7-3-2-6-17(18)14-20(25-22)19-8-4-5-13-24-19/h2-14H,1H3,(H2,23,25,26)
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5.80E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.


J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50051242
PNG
(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]tria...)
Show SMILES CCCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C14H15N7O/c1-2-3-6-20-8-9-11(18-20)17-14(15)21-13(9)16-12(19-21)10-5-4-7-22-10/h4-5,7-8H,2-3,6H2,1H3,(H2,15,17,18)
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6.03E+5n/an/an/an/an/an/an/an/a



University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS)

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins


Bioorg Med Chem Lett 21: 818-23 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.094
BindingDB Entry DOI: 10.7270/Q2XP766Q
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067079
PNG
(1-Phenyl-2-(3-pyridin-2-yl-isoquinolin-1-yl)-ethan...)
Show SMILES O=C(Cc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C22H16N2O/c25-22(16-8-2-1-3-9-16)15-20-18-11-5-4-10-17(18)14-21(24-20)19-12-6-7-13-23-19/h1-14H,15H2
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6.60E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.


J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067079
PNG
(1-Phenyl-2-(3-pyridin-2-yl-isoquinolin-1-yl)-ethan...)
Show SMILES O=C(Cc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C22H16N2O/c25-22(16-8-2-1-3-9-16)15-20-18-11-5-4-10-17(18)14-21(24-20)19-12-6-7-13-23-19/h1-14H,15H2
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6.60E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.


J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094688
PNG
(2-(furan-2-yl)-8-isopentyl-8H-pyrazolo[4,3-e][1,2,...)
Show SMILES CC(C)CCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C15H17N7O/c1-9(2)5-6-21-8-10-12(19-21)18-15(16)22-14(10)17-13(20-22)11-4-3-7-23-11/h3-4,7-9H,5-6H2,1-2H3,(H2,16,18,19)
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7.08E+5n/an/an/an/an/an/an/an/a



University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS)

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins


Bioorg Med Chem Lett 21: 818-23 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.094
BindingDB Entry DOI: 10.7270/Q2XP766Q
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067089
PNG
(CHEMBL72897 | N-(3-Pyridin-2-yl-isoquinolin-1-yl)-...)
Show SMILES NC(=Nc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C21H16N4/c22-20(15-8-2-1-3-9-15)25-21-17-11-5-4-10-16(17)14-19(24-21)18-12-6-7-13-23-18/h1-14H,(H2,22,24,25)
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7.40E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.


J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067089
PNG
(CHEMBL72897 | N-(3-Pyridin-2-yl-isoquinolin-1-yl)-...)
Show SMILES NC(=Nc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C21H16N4/c22-20(15-8-2-1-3-9-15)25-21-17-11-5-4-10-16(17)14-19(24-21)18-12-6-7-13-23-18/h1-14H,(H2,22,24,25)
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7.40E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.


J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067102
PNG
(3-Chloro-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benza...)
Show SMILES Clc1cccc(c1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C21H14ClN3O/c22-16-8-5-7-15(12-16)21(26)25-20-17-9-2-1-6-14(17)13-19(24-20)18-10-3-4-11-23-18/h1-13H,(H,24,25,26)
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7.70E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.


J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094682
PNG
(2-(furan-2-yl)-8-(3-methylbut-2-enyl)-8H-pyrazolo[...)
Show SMILES CC(C)=CCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C15H15N7O/c1-9(2)5-6-21-8-10-12(19-21)18-15(16)22-14(10)17-13(20-22)11-4-3-7-23-11/h3-5,7-8H,6H2,1-2H3,(H2,16,18,19)
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8.13E+5n/an/an/an/an/an/an/an/a



University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS)

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins


Bioorg Med Chem Lett 21: 818-23 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.094
BindingDB Entry DOI: 10.7270/Q2XP766Q
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067088
PNG
(3-Methoxy-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benz...)
Show SMILES COc1cccc(c1)C(N)=Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C22H18N4O/c1-27-17-9-6-8-16(13-17)21(23)26-22-18-10-3-2-7-15(18)14-20(25-22)19-11-4-5-12-24-19/h2-14H,1H3,(H2,23,25,26)
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9.80E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.


J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50106536
PNG
(2'-AMINO-2'-DEOXYADENOSINE | 2-aminoadenosine | 4-...)
Show SMILES N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc12
Show InChI InChI=1S/C10H14N6O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,5-,7-,10-/m1/s1
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1.00E+6n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity at wild-type Adenosine A3 receptor expressed in COS-7 cells


J Med Chem 44: 4125-36 (2001)


Article DOI: 10.1021/jm010232o
BindingDB Entry DOI: 10.7270/Q2Z60PSZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50090850
PNG
((2R,3S,4R,5R)-2-Aminomethyl-5-(6-amino-purin-9-yl)...)
Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C10H14N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1
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1.00E+6n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity at wild-type Adenosine A3 receptor expressed in COS-7 cells


J Med Chem 44: 4125-36 (2001)


Article DOI: 10.1021/jm010232o
BindingDB Entry DOI: 10.7270/Q2Z60PSZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094693
PNG
(8-tert-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4...)
Show SMILES CC(C)(C)n1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C14H15N7O/c1-14(2,3)20-7-8-10(18-20)17-13(15)21-12(8)16-11(19-21)9-5-4-6-22-9/h4-7H,1-3H3,(H2,15,17,18)
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1.15E+6n/an/an/an/an/an/an/an/a



University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS)

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins


Bioorg Med Chem Lett 21: 818-23 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.094
BindingDB Entry DOI: 10.7270/Q2XP766Q
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50088472
PNG
(1-Phenyl-3-quinazolin-4-yl-urea | 1-phenyl-3-(quin...)
Show SMILES O=C(Nc1ccccc1)Nc1ncnc2ccccc12
Show InChI InChI=1S/C15H12N4O/c20-15(18-11-6-2-1-3-7-11)19-14-12-8-4-5-9-13(12)16-10-17-14/h1-10H,(H2,16,17,18,19,20)
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1.18E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells


J Med Chem 43: 2227-38 (2000)


Article DOI: 10.1021/jm000002u
BindingDB Entry DOI: 10.7270/Q2T72GNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50088459
PNG
(1-[2-(4,6-Dimethyl-pyrimidin-2-yl)-quinazolin-4-yl...)
Show SMILES Cc1cc(C)nc(n1)-c1nc(NC(=O)Nc2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C21H18N6O/c1-13-12-14(2)23-19(22-13)20-25-17-11-7-6-10-16(17)18(26-20)27-21(28)24-15-8-4-3-5-9-15/h3-12H,1-2H3,(H2,24,25,26,27,28)
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1.26E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells


J Med Chem 43: 2227-38 (2000)


Article DOI: 10.1021/jm000002u
BindingDB Entry DOI: 10.7270/Q2T72GNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067086
PNG
(3-Methyl-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benza...)
Show SMILES Cc1cccc(c1)C(N)=Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C22H18N4/c1-15-7-6-9-17(13-15)21(23)26-22-18-10-3-2-8-16(18)14-20(25-22)19-11-4-5-12-24-19/h2-14H,1H3,(H2,23,25,26)
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1.30E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.


J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50158782
PNG
(CHEMBL359531 | [3-(2-Furan-2-yl-8-phenethyl-8H-pyr...)
Show SMILES CC(C)(C)OC(=O)NCCCC(=O)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C27H30N8O4/c1-27(2,3)39-26(37)28-14-7-12-21(36)29-25-31-22-19(17-34(32-22)15-13-18-9-5-4-6-10-18)24-30-23(33-35(24)25)20-11-8-16-38-20/h4-6,8-11,16-17H,7,12-15H2,1-3H3,(H,28,37)(H,29,31,32,36)
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1.48E+6n/an/an/an/an/an/an/an/a



University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS)

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins


Bioorg Med Chem Lett 21: 818-23 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.094
BindingDB Entry DOI: 10.7270/Q2XP766Q
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50158779
PNG
(8-Cyclohexylmethyl-2-furan-2-yl-8H-pyrazolo[4,3-e]...)
Show SMILES Nc1nc2nn(CC3CCCCC3)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C17H19N7O/c18-17-20-14-12(10-23(21-14)9-11-5-2-1-3-6-11)16-19-15(22-24(16)17)13-7-4-8-25-13/h4,7-8,10-11H,1-3,5-6,9H2,(H2,18,20,21)
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1.74E+6n/an/an/an/an/an/an/an/a



University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS)

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins


Bioorg Med Chem Lett 21: 818-23 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.094
BindingDB Entry DOI: 10.7270/Q2XP766Q
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50088461
PNG
(1-(3-Methoxy-phenyl)-3-(2-phenyl-quinazolin-4-yl)-...)
Show SMILES COc1cccc(NC(=O)Nc2nc(nc3ccccc23)-c2ccccc2)c1
Show InChI InChI=1S/C22H18N4O2/c1-28-17-11-7-10-16(14-17)23-22(27)26-21-18-12-5-6-13-19(18)24-20(25-21)15-8-3-2-4-9-15/h2-14H,1H3,(H2,23,24,25,26,27)
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2.04E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells


J Med Chem 43: 2227-38 (2000)


Article DOI: 10.1021/jm000002u
BindingDB Entry DOI: 10.7270/Q2T72GNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50158760
PNG
(2-Furan-2-yl-8-octyl-8H-pyrazolo[4,3-e][1,2,4]tria...)
Show SMILES CCCCCCCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C18H23N7O/c1-2-3-4-5-6-7-10-24-12-13-15(22-24)21-18(19)25-17(13)20-16(23-25)14-9-8-11-26-14/h8-9,11-12H,2-7,10H2,1H3,(H2,19,21,22)
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2.04E+6n/an/an/an/an/an/an/an/a



University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS)

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins


Bioorg Med Chem Lett 21: 818-23 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.094
BindingDB Entry DOI: 10.7270/Q2XP766Q
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067094
PNG
(4-Chloro-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benza...)
Show SMILES NC(=Nc1nc(cc2ccccc12)-c1ccccn1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H15ClN4/c22-16-10-8-14(9-11-16)20(23)26-21-17-6-2-1-5-15(17)13-19(25-21)18-7-3-4-12-24-18/h1-13H,(H2,23,25,26)
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2.30E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.


J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067087
PNG
(3,4-Dichloro-N-(3-pyridin-2-yl-isoquinolin-1-yl)-b...)
Show SMILES NC(=Nc1nc(cc2ccccc12)-c1ccccn1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H14Cl2N4/c22-16-9-8-14(11-17(16)23)20(24)27-21-15-6-2-1-5-13(15)12-19(26-21)18-7-3-4-10-25-18/h1-12H,(H2,24,26,27)
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2.30E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.


J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50158768
PNG
(CHEMBL367773 | tert-butyl 4-(2-(furan-2-yl)-8-isop...)
Show SMILES CC(C)CCn1cc2c(n1)nc(NC(=O)CCCNC(=O)OC(C)(C)C)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C24H32N8O4/c1-15(2)10-12-31-14-16-19(29-31)28-22(32-21(16)27-20(30-32)17-8-7-13-35-17)26-18(33)9-6-11-25-23(34)36-24(3,4)5/h7-8,13-15H,6,9-12H2,1-5H3,(H,25,34)(H,26,28,29,33)
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2.51E+6n/an/an/an/an/an/an/an/a



University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS)

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins


Bioorg Med Chem Lett 21: 818-23 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.094
BindingDB Entry DOI: 10.7270/Q2XP766Q
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067074
PNG
(1-Chloro-3-pyridin-2-yl-isoquinoline | CHEMBL12851...)
Show SMILES Clc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C14H9ClN2/c15-14-11-6-2-1-5-10(11)9-13(17-14)12-7-3-4-8-16-12/h1-9H
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2.60E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.


J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067110
PNG
(2,6-Dimethyl-N-(3-pyridin-2-yl-isoquinolin-1-yl)-b...)
Show SMILES Cc1cccc(C)c1C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C23H19N3O/c1-15-8-7-9-16(2)21(15)23(27)26-22-18-11-4-3-10-17(18)14-20(25-22)19-12-5-6-13-24-19/h3-14H,1-2H3,(H,25,26,27)
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2.60E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.


J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067090
PNG
(CHEMBL128269 | N-(2,6-Dimethyl-benzoyl)-2,6-dimeth...)
Show SMILES Cc1cccc(C)c1C(=O)N(C(=O)c1c(C)cccc1C)c1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C32H27N3O2/c1-20-11-9-12-21(2)28(20)31(36)35(32(37)29-22(3)13-10-14-23(29)4)30-25-16-6-5-15-24(25)19-27(34-30)26-17-7-8-18-33-26/h5-19H,1-4H3
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3.20E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.


J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094684
PNG
(2-Furan-2-yl-8-(2-naphthalen-1-yl-ethyl)-8H-pyrazo...)
Show SMILES Nc1nc2nn(CCc3cccc4ccccc34)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H17N7O/c23-22-25-19-17(21-24-20(27-29(21)22)18-9-4-12-30-18)13-28(26-19)11-10-15-7-3-6-14-5-1-2-8-16(14)15/h1-9,12-13H,10-11H2,(H2,23,25,26)
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3.39E+6n/an/an/an/an/an/an/an/a



University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS)

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins


Bioorg Med Chem Lett 21: 818-23 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.094
BindingDB Entry DOI: 10.7270/Q2XP766Q
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067073
PNG
(1-Methylsulfanyl-3-pyridin-2-yl-isoquinoline | CHE...)
Show SMILES CSc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C15H12N2S/c1-18-15-12-7-3-2-6-11(12)10-14(17-15)13-8-4-5-9-16-13/h2-10H,1H3
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3.90E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.


J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067108
PNG
(CHEMBL131713 | N-(2-Pyridin-2-yl-quinazolin-4-yl)-...)
Show SMILES NC=Nc1nc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C14H11N5/c15-9-17-13-10-5-1-2-6-11(10)18-14(19-13)12-7-3-4-8-16-12/h1-9H,(H2,15,17,18,19)
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4.00E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA from human Adenosine A3 receptor expressed in HEK 293 cells at 10e-5 M


J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094678
PNG
(2-Furan-2-yl-8-(2,4,5-tribromo-benzyl)-8H-pyrazolo...)
Show SMILES Nc1nc2nn(CCc3cc(Br)c(Br)cc3Br)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H12Br3N7O/c19-11-7-13(21)12(20)6-9(11)3-4-27-8-10-15(25-27)24-18(22)28-17(10)23-16(26-28)14-2-1-5-29-14/h1-2,5-8H,3-4H2,(H2,22,24,25)
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4.47E+6n/an/an/an/an/an/an/an/a



University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS)

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins


Bioorg Med Chem Lett 21: 818-23 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.094
BindingDB Entry DOI: 10.7270/Q2XP766Q
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067093
PNG
(1-Ethyl-3-pyridin-2-yl-isoquinoline | CHEMBL129406)
Show SMILES CCc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C16H14N2/c1-2-14-13-8-4-3-7-12(13)11-16(18-14)15-9-5-6-10-17-15/h3-11H,2H2,1H3
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5.10E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.


J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067078
PNG
(1-Methoxy-3-pyridin-2-yl-isoquinoline | CHEMBL3402...)
Show SMILES COc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C15H12N2O/c1-18-15-12-7-3-2-6-11(12)10-14(17-15)13-8-4-5-9-16-13/h2-10H,1H3
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5.60E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.


J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067077
PNG
(3-Chloro-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benza...)
Show SMILES NC(=Nc1nc(cc2ccccc12)-c1ccccn1)c1cccc(Cl)c1
Show InChI InChI=1S/C21H15ClN4/c22-16-8-5-7-15(12-16)20(23)26-21-17-9-2-1-6-14(17)13-19(25-21)18-10-3-4-11-24-18/h1-13H,(H2,23,25,26)
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7.80E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.


J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067106
PNG
(CHEMBL131068 | N-(2-Pyridin-2-yl-quinazolin-4-yl)-...)
Show SMILES CC(=O)Nc1nc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C15H12N4O/c1-10(20)17-14-11-6-2-3-7-12(11)18-15(19-14)13-8-4-5-9-16-13/h2-9H,1H3,(H,17,18,19,20)
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1.10E+7n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.


J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067072
PNG
(1-Phenyl-3-pyridin-2-yl-isoquinoline | CHEMBL12884...)
Show SMILES c1ccc(cc1)-c1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C20H14N2/c1-2-8-15(9-3-1)20-17-11-5-4-10-16(17)14-19(22-20)18-12-6-7-13-21-18/h1-14H
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1.20E+7n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.


J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067104
PNG
(CHEMBL128520 | N-(3-Pyridin-2-yl-isoquinolin-1-yl)...)
Show SMILES CC(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C16H13N3O/c1-11(20)18-16-13-7-3-2-6-12(13)10-15(19-16)14-8-4-5-9-17-14/h2-10H,1H3,(H,18,19,20)
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1.30E+7n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.


J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067083
PNG
(1-Methanesulfonyl-3-pyridin-2-yl-isoquinoline | CH...)
Show SMILES CS(=O)(=O)c1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C15H12N2O2S/c1-20(18,19)15-12-7-3-2-6-11(12)10-14(17-15)13-8-4-5-9-16-13/h2-10H,1H3
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1.50E+7n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.


J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067076
PNG
(CHEMBL341025 | N-(3-Pyridin-2-yl-isoquinolin-1-yl)...)
Show SMILES NC=Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C15H12N4/c16-10-18-15-12-6-2-1-5-11(12)9-14(19-15)13-7-3-4-8-17-13/h1-10H,(H2,16,18,19)
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2.00E+7n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.


J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067076
PNG
(CHEMBL341025 | N-(3-Pyridin-2-yl-isoquinolin-1-yl)...)
Show SMILES NC=Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C15H12N4/c16-10-18-15-12-6-2-1-5-11(12)9-14(19-15)13-7-3-4-8-17-13/h1-10H,(H2,16,18,19)
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2.00E+7n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.


J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067109
PNG
(2-Pyridin-2-yl-quinazolin-4-ol | CHEMBL128427)
Show SMILES O=c1[nH]c(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C13H9N3O/c17-13-9-5-1-2-6-10(9)15-12(16-13)11-7-3-4-8-14-11/h1-8H,(H,15,16,17)
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2.20E+7n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.


J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067091
PNG
(3-Pyridin-2-yl-isoquinolin-1-ol | CHEMBL128943)
Show SMILES O=c1[nH]c(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C14H10N2O/c17-14-11-6-2-1-5-10(11)9-13(16-14)12-7-3-4-8-15-12/h1-9H,(H,16,17)
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2.70E+7n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.


J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067091
PNG
(3-Pyridin-2-yl-isoquinolin-1-ol | CHEMBL128943)
Show SMILES O=c1[nH]c(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C14H10N2O/c17-14-11-6-2-1-5-10(11)9-13(16-14)12-7-3-4-8-15-12/h1-9H,(H,16,17)
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2.70E+7n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.


J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067085
PNG
(CHEMBL340806 | N-Acetyl-N-(3-pyridin-2-yl-isoquino...)
Show SMILES CC(=O)N(C(C)=O)c1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C18H15N3O2/c1-12(22)21(13(2)23)18-15-8-4-3-7-14(15)11-17(20-18)16-9-5-6-10-19-16/h3-11H,1-2H3
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3.50E+7n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.


J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067115
PNG
(CHEMBL335744 | N-(3-Pyridin-2-yl-isoquinolin-1-yl)...)
Show SMILES CC(C)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C18H17N3O/c1-12(2)18(22)21-17-14-8-4-3-7-13(14)11-16(20-17)15-9-5-6-10-19-15/h3-12H,1-2H3,(H,20,21,22)
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4.80E+7n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA from human Adenosine A3 receptor expressed in HEK 293 cells at 10e-5 M


J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50088464
PNG
(1-(2-tert-Butyl-quinazolin-4-yl)-3-phenyl-urea | C...)
Show SMILES CC(C)(C)c1nc(NC(=O)Nc2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C19H20N4O/c1-19(2,3)17-21-15-12-8-7-11-14(15)16(22-17)23-18(24)20-13-9-5-4-6-10-13/h4-12H,1-3H3,(H2,20,21,22,23,24)
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7.87E+7n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells


J Med Chem 43: 2227-38 (2000)


Article DOI: 10.1021/jm000002u
BindingDB Entry DOI: 10.7270/Q2T72GNJ
More data for this
Ligand-Target Pair
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