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13 similar compounds to monomer 50067114

Compile data set for download or QSAR
Wt: 339.3
BDBM50067095
Wt: 325.3
BDBM50067096
Wt: 353.4
BDBM50067097
Wt: 353.4
BDBM50067101
Wt: 359.8
BDBM50067102
Wt: 353.4
BDBM50067103
Wt: 353.4
BDBM50067105
Wt: 353.4
BDBM50067110
Wt: 339.3
BDBM50067111
Purchase
Wt: 394.2
BDBM50067113
Wt: 355.3
BDBM50067116
Wt: 429.4
BDBM50067084
Wt: 324.3
BDBM50097439

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 39 hits for monomerid = 50067095,50067096,50067097,50067101,50067102,50067103,50067105,50067110,50067111,50067113,50067116,50067084,50097439   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067116
PNG
(4-Methoxy-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benz...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C22H17N3O2/c1-27-17-11-9-15(10-12-17)22(26)25-21-18-7-3-2-6-16(18)14-20(24-21)19-8-4-5-13-23-19/h2-14H,1H3,(H,24,25,26)
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17n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067116
PNG
(4-Methoxy-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benz...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C22H17N3O2/c1-27-17-11-9-15(10-12-17)22(26)25-21-18-7-3-2-6-16(18)14-20(24-21)19-8-4-5-13-23-19/h2-14H,1H3,(H,24,25,26)
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17n/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


J Med Chem 44: 749-62 (2001)


Article DOI: 10.1021/jm0003945
BindingDB Entry DOI: 10.7270/Q2H132Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067116
PNG
(4-Methoxy-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benz...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C22H17N3O2/c1-27-17-11-9-15(10-12-17)22(26)25-21-18-7-3-2-6-16(18)14-20(24-21)19-8-4-5-13-23-19/h2-14H,1H3,(H,24,25,26)
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17n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067116
PNG
(4-Methoxy-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benz...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C22H17N3O2/c1-27-17-11-9-15(10-12-17)22(26)25-21-18-7-3-2-6-16(18)14-20(24-21)19-8-4-5-13-23-19/h2-14H,1H3,(H,24,25,26)
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61.7n/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))
BDBM50067097
PNG
(3,4-Dimethyl-N-(3-pyridin-2-yl-isoquinolin-1-yl)-b...)
Show SMILES Cc1ccc(cc1C)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C23H19N3O/c1-15-10-11-18(13-16(15)2)23(27)26-22-19-8-4-3-7-17(19)14-21(25-22)20-9-5-6-12-24-20/h3-14H,1-2H3,(H,25,26,27)
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69n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067111
PNG
(4-Methyl-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benza...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C22H17N3O/c1-15-9-11-16(12-10-15)22(26)25-21-18-7-3-2-6-17(18)14-20(24-21)19-8-4-5-13-23-19/h2-14H,1H3,(H,24,25,26)
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96n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067096
PNG
(CHEMBL71053 | N-(3-(pyridin-2-yl)isoquinolin-1-yl)...)
Show SMILES O=C(Nc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C21H15N3O/c25-21(15-8-2-1-3-9-15)24-20-17-11-5-4-10-16(17)14-19(23-20)18-12-6-7-13-22-18/h1-14H,(H,23,24,25)
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200n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067096
PNG
(CHEMBL71053 | N-(3-(pyridin-2-yl)isoquinolin-1-yl)...)
Show SMILES O=C(Nc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C21H15N3O/c25-21(15-8-2-1-3-9-15)24-20-17-11-5-4-10-16(17)14-19(23-20)18-12-6-7-13-22-18/h1-14H,(H,23,24,25)
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200n/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


J Med Chem 44: 749-62 (2001)


Article DOI: 10.1021/jm0003945
BindingDB Entry DOI: 10.7270/Q2H132Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067096
PNG
(CHEMBL71053 | N-(3-(pyridin-2-yl)isoquinolin-1-yl)...)
Show SMILES O=C(Nc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C21H15N3O/c25-21(15-8-2-1-3-9-15)24-20-17-11-5-4-10-16(17)14-19(23-20)18-12-6-7-13-22-18/h1-14H,(H,23,24,25)
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200n/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))
BDBM50067095
PNG
(3-Methyl-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benza...)
Show SMILES Cc1cccc(c1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C22H17N3O/c1-15-7-6-9-17(13-15)22(26)25-21-18-10-3-2-8-16(18)14-20(24-21)19-11-4-5-12-23-19/h2-14H,1H3,(H,24,25,26)
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240n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067105
PNG
(2,4-Dimethyl-N-(3-pyridin-2-yl-isoquinolin-1-yl)-b...)
Show SMILES Cc1ccc(C(=O)Nc2nc(cc3ccccc23)-c2ccccn2)c(C)c1
Show InChI InChI=1S/C23H19N3O/c1-15-10-11-18(16(2)13-15)23(27)26-22-19-8-4-3-7-17(19)14-21(25-22)20-9-5-6-12-24-20/h3-14H,1-2H3,(H,25,26,27)
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360n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
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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770n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50097439
PNG
(CHEMBL163248 | N-(3-Phenyl-isoquinolin-1-yl)-benza...)
Show SMILES O=C(Nc1nc(cc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H16N2O/c25-22(17-11-5-2-6-12-17)24-21-19-14-8-7-13-18(19)15-20(23-21)16-9-3-1-4-10-16/h1-15H,(H,23,24,25)
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1.20E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX binding to adenosine A1 receptor of rat brain cortical membrane


J Med Chem 44: 749-62 (2001)


Article DOI: 10.1021/jm0003945
BindingDB Entry DOI: 10.7270/Q2H132Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50097439
PNG
(CHEMBL163248 | N-(3-Phenyl-isoquinolin-1-yl)-benza...)
Show SMILES O=C(Nc1nc(cc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H16N2O/c25-22(17-11-5-2-6-12-17)24-21-19-14-8-7-13-18(19)15-20(23-21)16-9-3-1-4-10-16/h1-15H,(H,23,24,25)
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1.20E+3n/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


J Med Chem 44: 749-62 (2001)


Article DOI: 10.1021/jm0003945
BindingDB Entry DOI: 10.7270/Q2H132Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067116
PNG
(4-Methoxy-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benz...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C22H17N3O2/c1-27-17-11-9-15(10-12-17)22(26)25-21-18-7-3-2-6-16(18)14-20(24-21)19-8-4-5-13-23-19/h2-14H,1H3,(H,24,25,26)
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1.69E+3n/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 Mutant (H272E) human 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 A1


(Rattus norvegicus (rat))
BDBM50067096
PNG
(CHEMBL71053 | N-(3-(pyridin-2-yl)isoquinolin-1-yl)...)
Show SMILES O=C(Nc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C21H15N3O/c25-21(15-8-2-1-3-9-15)24-20-17-11-5-4-10-16(17)14-19(23-20)18-12-6-7-13-22-18/h1-14H,(H,23,24,25)
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3.20E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX binding to adenosine A1 receptor of rat brain cortical membrane


J Med Chem 44: 749-62 (2001)


Article DOI: 10.1021/jm0003945
BindingDB Entry DOI: 10.7270/Q2H132Q0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50067096
PNG
(CHEMBL71053 | N-(3-(pyridin-2-yl)isoquinolin-1-yl)...)
Show SMILES O=C(Nc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C21H15N3O/c25-21(15-8-2-1-3-9-15)24-20-17-11-5-4-10-16(17)14-19(23-20)18-12-6-7-13-22-18/h1-14H,(H,23,24,25)
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3.20E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from adenosine A1 receptor of rat brain cortical membrane


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 A2a and A3


(Rattus norvegicus)
BDBM50067116
PNG
(4-Methoxy-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benz...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C22H17N3O2/c1-27-17-11-9-15(10-12-17)22(26)25-21-18-7-3-2-6-16(18)14-20(24-21)19-8-4-5-13-23-19/h2-14H,1H3,(H,24,25,26)
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4.20E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human rat adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50067116
PNG
(4-Methoxy-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benz...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C22H17N3O2/c1-27-17-11-9-15(10-12-17)22(26)25-21-18-7-3-2-6-16(18)14-20(24-21)19-8-4-5-13-23-19/h2-14H,1H3,(H,24,25,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from rat adenosine A1 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50067116
PNG
(4-Methoxy-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benz...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C22H17N3O2/c1-27-17-11-9-15(10-12-17)22(26)25-21-18-7-3-2-6-16(18)14-20(24-21)19-8-4-5-13-23-19/h2-14H,1H3,(H,24,25,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50067116
PNG
(4-Methoxy-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benz...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C22H17N3O2/c1-27-17-11-9-15(10-12-17)22(26)25-21-18-7-3-2-6-16(18)14-20(24-21)19-8-4-5-13-23-19/h2-14H,1H3,(H,24,25,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from rat adenosine A2A receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50067116
PNG
(4-Methoxy-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benz...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C22H17N3O2/c1-27-17-11-9-15(10-12-17)22(26)25-21-18-7-3-2-6-16(18)14-20(24-21)19-8-4-5-13-23-19/h2-14H,1H3,(H,24,25,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 21680 binding in adenosine A2A receptor of rat striatal membrane


J Med Chem 44: 749-62 (2001)


Article DOI: 10.1021/jm0003945
BindingDB Entry DOI: 10.7270/Q2H132Q0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50067116
PNG
(4-Methoxy-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benz...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C22H17N3O2/c1-27-17-11-9-15(10-12-17)22(26)25-21-18-7-3-2-6-16(18)14-20(24-21)19-8-4-5-13-23-19/h2-14H,1H3,(H,24,25,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX binding to adenosine A1 receptor of rat brain cortical membrane


J Med Chem 44: 749-62 (2001)


Article DOI: 10.1021/jm0003945
BindingDB Entry DOI: 10.7270/Q2H132Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50067116
PNG
(4-Methoxy-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benz...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C22H17N3O2/c1-27-17-11-9-15(10-12-17)22(26)25-21-18-7-3-2-6-16(18)14-20(24-21)19-8-4-5-13-23-19/h2-14H,1H3,(H,24,25,26)
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1.70E+4n/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))
BDBM50067097
PNG
(3,4-Dimethyl-N-(3-pyridin-2-yl-isoquinolin-1-yl)-b...)
Show SMILES Cc1ccc(cc1C)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C23H19N3O/c1-15-10-11-18(13-16(15)2)23(27)26-22-19-8-4-3-7-17(19)14-21(25-22)20-9-5-6-12-24-20/h3-14H,1-2H3,(H,25,26,27)
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6.90E+4n/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))
BDBM50067111
PNG
(4-Methyl-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benza...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C22H17N3O/c1-15-9-11-16(12-10-15)22(26)25-21-18-7-3-2-6-17(18)14-20(24-21)19-8-4-5-13-23-19/h2-14H,1H3,(H,24,25,26)
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9.60E+4n/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))
BDBM50067096
PNG
(CHEMBL71053 | N-(3-(pyridin-2-yl)isoquinolin-1-yl)...)
Show SMILES O=C(Nc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C21H15N3O/c25-21(15-8-2-1-3-9-15)24-20-17-11-5-4-10-16(17)14-19(23-20)18-12-6-7-13-22-18/h1-14H,(H,23,24,25)
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2.00E+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))
BDBM50067113
PNG
(3,4-Dichloro-N-(3-pyridin-2-yl-isoquinolin-1-yl)-b...)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C21H13Cl2N3O/c22-16-9-8-14(11-17(16)23)21(27)26-20-15-6-2-1-5-13(15)12-19(25-20)18-7-3-4-10-24-18/h1-12H,(H,25,26,27)
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2.10E+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))
BDBM50067084
PNG
(CHEMBL128396 | N-Benzoyl-N-(3-pyridin-2-yl-isoquin...)
Show SMILES O=C(N(C(=O)c1ccccc1)c1nc(cc2ccccc12)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C28H19N3O2/c32-27(20-11-3-1-4-12-20)31(28(33)21-13-5-2-6-14-21)26-23-16-8-7-15-22(23)19-25(30-26)24-17-9-10-18-29-24/h1-19H
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2.30E+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))
BDBM50067084
PNG
(CHEMBL128396 | N-Benzoyl-N-(3-pyridin-2-yl-isoquin...)
Show SMILES O=C(N(C(=O)c1ccccc1)c1nc(cc2ccccc12)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C28H19N3O2/c32-27(20-11-3-1-4-12-20)31(28(33)21-13-5-2-6-14-21)26-23-16-8-7-15-22(23)19-25(30-26)24-17-9-10-18-29-24/h1-19H
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2.30E+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 A3


(Homo sapiens (Human))
BDBM50067095
PNG
(3-Methyl-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benza...)
Show SMILES Cc1cccc(c1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C22H17N3O/c1-15-7-6-9-17(13-15)22(26)25-21-18-10-3-2-8-16(18)14-20(24-21)19-11-4-5-12-23-19/h2-14H,1H3,(H,24,25,26)
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2.40E+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))
BDBM50067101
PNG
(3,5-Dimethyl-N-(3-pyridin-2-yl-isoquinolin-1-yl)-b...)
Show SMILES Cc1cc(C)cc(c1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C23H19N3O/c1-15-11-16(2)13-18(12-15)23(27)26-22-19-8-4-3-7-17(19)14-21(25-22)20-9-5-6-10-24-20/h3-14H,1-2H3,(H,25,26,27)
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3.20E+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))
BDBM50067105
PNG
(2,4-Dimethyl-N-(3-pyridin-2-yl-isoquinolin-1-yl)-b...)
Show SMILES Cc1ccc(C(=O)Nc2nc(cc3ccccc23)-c2ccccn2)c(C)c1
Show InChI InChI=1S/C23H19N3O/c1-15-10-11-18(16(2)13-15)23(27)26-22-19-8-4-3-7-17(19)14-21(25-22)20-9-5-6-12-24-20/h3-14H,1-2H3,(H,25,26,27)
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3.60E+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))
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 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))
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 A1


(Rattus norvegicus (rat))
BDBM50067096
PNG
(CHEMBL71053 | N-(3-(pyridin-2-yl)isoquinolin-1-yl)...)
Show SMILES O=C(Nc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C21H15N3O/c25-21(15-8-2-1-3-9-15)24-20-17-11-5-4-10-16(17)14-19(23-20)18-12-6-7-13-22-18/h1-14H,(H,23,24,25)
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3.20E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor of rat cortical membrane


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 A1


(Rattus norvegicus (rat))
BDBM50067084
PNG
(CHEMBL128396 | N-Benzoyl-N-(3-pyridin-2-yl-isoquin...)
Show SMILES O=C(N(C(=O)c1ccccc1)c1nc(cc2ccccc12)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C28H19N3O2/c32-27(20-11-3-1-4-12-20)31(28(33)21-13-5-2-6-14-21)26-23-16-8-7-15-22(23)19-25(30-26)24-17-9-10-18-29-24/h1-19H
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4.30E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor of rat cortical membrane


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 A1


(Rattus norvegicus (rat))
BDBM50067084
PNG
(CHEMBL128396 | N-Benzoyl-N-(3-pyridin-2-yl-isoquin...)
Show SMILES O=C(N(C(=O)c1ccccc1)c1nc(cc2ccccc12)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C28H19N3O2/c32-27(20-11-3-1-4-12-20)31(28(33)21-13-5-2-6-14-21)26-23-16-8-7-15-22(23)19-25(30-26)24-17-9-10-18-29-24/h1-19H
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4.30E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor of rat cortical membrane


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