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46 similar compounds to monomer 50053929

Compile data set for download or QSAR
Wt: 341.7
BDBM50023490
Wt: 341.7
BDBM50023493
Wt: 329.7
BDBM50023495
Wt: 299.7
BDBM50023499
Wt: 327.7
BDBM50023500
Wt: 313.7
BDBM50023502
Wt: 356.7
BDBM50455069
Wt: 356.7
BDBM50455072
Wt: 341.7
BDBM50053922
Wt: 327.7
BDBM50053923
Wt: 389.7
BDBM50053925
Wt: 369.8
BDBM50053926
Wt: 369.8
BDBM50053928
Wt: 355.7
BDBM50053930
Wt: 515.6
BDBM50053931
Displayed 1 to 15 (of 46 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 45 hits for monomerid = 50023490,50023493,50023495,50023499,50023500,50023502,50455069,50455072,50053922,50053923,50053925,50053926,50053928,50053930,50053931   
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))
BDBM50053925
PNG
(CHEMBL317382 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...)
Show SMILES Clc1ccc2nc(NC(=O)c3ccccc3)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C20H12ClN5O2/c21-13-8-9-15-14(11-13)18-23-17(16-7-4-10-28-16)25-26(18)20(22-15)24-19(27)12-5-2-1-3-6-12/h1-11H,(H,22,24,27)
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3n/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))
BDBM50053925
PNG
(CHEMBL317382 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...)
Show SMILES Clc1ccc2nc(NC(=O)c3ccccc3)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C20H12ClN5O2/c21-13-8-9-15-14(11-13)18-23-17(16-7-4-10-28-16)25-26(18)20(22-15)24-19(27)12-5-2-1-3-6-12/h1-11H,(H,22,24,27)
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3.03n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A3 receptor


Bioorg Med Chem Lett 21: 2898-905 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.073
BindingDB Entry DOI: 10.7270/Q2VH5P5Z
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50053925
PNG
(CHEMBL317382 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...)
Show SMILES Clc1ccc2nc(NC(=O)c3ccccc3)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C20H12ClN5O2/c21-13-8-9-15-14(11-13)18-23-17(16-7-4-10-28-16)25-26(18)20(22-15)24-19(27)12-5-2-1-3-6-12/h1-11H,(H,22,24,27)
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3.03n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Adenosine A3 receptor from HEK-293 cells by [125I]-AB-MECA displacement.


J Med Chem 39: 4142-8 (1996)


Article DOI: 10.1021/jm960482i
BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50053922
PNG
(CHEMBL329722 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...)
Show SMILES CCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H12ClN5O2/c1-2-13(23)19-16-18-11-6-5-9(17)8-10(11)15-20-14(21-22(15)16)12-4-3-7-24-12/h3-8H,2H2,1H3,(H,18,19,23)
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7.66n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Adenosine A3 receptor from HEK-293 cells by [125I]-AB-MECA displacement.


J Med Chem 39: 4142-8 (1996)


Article DOI: 10.1021/jm960482i
BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50053922
PNG
(CHEMBL329722 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...)
Show SMILES CCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H12ClN5O2/c1-2-13(23)19-16-18-11-6-5-9(17)8-10(11)15-20-14(21-22(15)16)12-4-3-7-24-12/h3-8H,2H2,1H3,(H,18,19,23)
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7.70n/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))
BDBM50053923
PNG
(CHEMBL318251 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...)
Show SMILES CC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C15H10ClN5O2/c1-8(22)17-15-18-11-5-4-9(16)7-10(11)14-19-13(20-21(14)15)12-3-2-6-23-12/h2-7H,1H3,(H,17,18,22)
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13.9n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Adenosine A3 receptor from HEK-293 cells by [125I]-AB-MECA displacement.


J Med Chem 39: 4142-8 (1996)


Article DOI: 10.1021/jm960482i
BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50053923
PNG
(CHEMBL318251 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...)
Show SMILES CC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C15H10ClN5O2/c1-8(22)17-15-18-11-5-4-9(16)7-10(11)14-19-13(20-21(14)15)12-3-2-6-23-12/h2-7H,1H3,(H,17,18,22)
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13.9n/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))
BDBM50053930
PNG
(CHEMBL319971 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...)
Show SMILES CCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C17H14ClN5O2/c1-2-4-14(24)20-17-19-12-7-6-10(18)9-11(12)16-21-15(22-23(16)17)13-5-3-8-25-13/h3,5-9H,2,4H2,1H3,(H,19,20,24)
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14.6n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Adenosine A3 receptor from HEK-293 cells by [125I]-AB-MECA displacement.


J Med Chem 39: 4142-8 (1996)


Article DOI: 10.1021/jm960482i
BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50053926
PNG
(CHEMBL313422 | Pentanoic acid (9-chloro-2-furan-2-...)
Show SMILES CCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H16ClN5O2/c1-2-3-6-15(25)21-18-20-13-8-7-11(19)10-12(13)17-22-16(23-24(17)18)14-5-4-9-26-14/h4-5,7-10H,2-3,6H2,1H3,(H,20,21,25)
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21.5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Adenosine A3 receptor from HEK-293 cells by [125I]-AB-MECA displacement.


J Med Chem 39: 4142-8 (1996)


Article DOI: 10.1021/jm960482i
BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50053931
PNG
(CHEMBL93932 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tria...)
Show SMILES Clc1ccc2nc(NC(=O)c3cccc(I)c3)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C20H11ClIN5O2/c21-12-6-7-15-14(10-12)18-24-17(16-5-2-8-29-16)26-27(18)20(23-15)25-19(28)11-3-1-4-13(22)9-11/h1-10H,(H,23,25,28)
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23.8n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Adenosine A3 receptor from HEK-293 cells by [125I]-AB-MECA displacement.


J Med Chem 39: 4142-8 (1996)


Article DOI: 10.1021/jm960482i
BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50053926
PNG
(CHEMBL313422 | Pentanoic acid (9-chloro-2-furan-2-...)
Show SMILES CCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H16ClN5O2/c1-2-3-6-15(25)21-18-20-13-8-7-11(19)10-12(13)17-22-16(23-24(17)18)14-5-4-9-26-14/h4-5,7-10H,2-3,6H2,1H3,(H,20,21,25)
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28.9n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-¿-PIA from Adenosine A1 receptor of rat cerebral cortex membranes


J Med Chem 39: 4142-8 (1996)


Article DOI: 10.1021/jm960482i
BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50455072
PNG
(CHEMBL2112381)
Show SMILES C[C@@H](N)C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H13ClN6O2/c1-8(18)15(24)21-16-19-11-5-4-9(17)7-10(11)14-20-13(22-23(14)16)12-3-2-6-25-12/h2-8H,18H2,1H3,(H,19,21,24)/t8-/m1/s1
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30n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity was determined in radioligand binding assay at rat striatal Adenosine A2A receptor vs [3H]-CGS- 21680


J Med Chem 41: 2835-45 (1998)


Article DOI: 10.1021/jm980094b
BindingDB Entry DOI: 10.7270/Q25Q4V7D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50053930
PNG
(CHEMBL319971 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...)
Show SMILES CCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C17H14ClN5O2/c1-2-4-14(24)20-17-19-12-7-6-10(18)9-11(12)16-21-15(22-23(16)17)13-5-3-8-25-13/h3,5-9H,2,4H2,1H3,(H,19,20,24)
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32.5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-¿-PIA from Adenosine A1 receptor of rat cerebral cortex membranes


J Med Chem 39: 4142-8 (1996)


Article DOI: 10.1021/jm960482i
BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50053923
PNG
(CHEMBL318251 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...)
Show SMILES CC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C15H10ClN5O2/c1-8(22)17-15-18-11-5-4-9(16)7-10(11)14-19-13(20-21(14)15)12-3-2-6-23-12/h2-7H,1H3,(H,17,18,22)
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36.3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGH 21680 from Adenosine A2A receptor of rat striatal membranes


J Med Chem 39: 4142-8 (1996)


Article DOI: 10.1021/jm960482i
BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50053930
PNG
(CHEMBL319971 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...)
Show SMILES CCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C17H14ClN5O2/c1-2-4-14(24)20-17-19-12-7-6-10(18)9-11(12)16-21-15(22-23(16)17)13-5-3-8-25-13/h3,5-9H,2,4H2,1H3,(H,19,20,24)
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37.6n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGH 21680 from Adenosine A2A receptor of rat striatal membranes


J Med Chem 39: 4142-8 (1996)


Article DOI: 10.1021/jm960482i
BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50053926
PNG
(CHEMBL313422 | Pentanoic acid (9-chloro-2-furan-2-...)
Show SMILES CCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H16ClN5O2/c1-2-3-6-15(25)21-18-20-13-8-7-11(19)10-12(13)17-22-16(23-24(17)18)14-5-4-9-26-14/h4-5,7-10H,2-3,6H2,1H3,(H,20,21,25)
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48.8n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGH 21680 from Adenosine A2A receptor of rat striatal membranes


J Med Chem 39: 4142-8 (1996)


Article DOI: 10.1021/jm960482i
BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50053923
PNG
(CHEMBL318251 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...)
Show SMILES CC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C15H10ClN5O2/c1-8(22)17-15-18-11-5-4-9(16)7-10(11)14-19-13(20-21(14)15)12-3-2-6-23-12/h2-7H,1H3,(H,17,18,22)
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52.2n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-¿-PIA from Adenosine A1 receptor of rat cerebral cortex membranes


J Med Chem 39: 4142-8 (1996)


Article DOI: 10.1021/jm960482i
BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50053928
PNG
(CHEMBL317310 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...)
Show SMILES CC(C)(C)C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H16ClN5O2/c1-18(2,3)16(25)22-17-20-12-7-6-10(19)9-11(12)15-21-14(23-24(15)17)13-5-4-8-26-13/h4-9H,1-3H3,(H,20,22,25)
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88.8n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGH 21680 from Adenosine A2A receptor of rat striatal membranes


J Med Chem 39: 4142-8 (1996)


Article DOI: 10.1021/jm960482i
BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50053922
PNG
(CHEMBL329722 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...)
Show SMILES CCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H12ClN5O2/c1-2-13(23)19-16-18-11-6-5-9(17)8-10(11)15-20-14(21-22(15)16)12-4-3-7-24-12/h3-8H,2H2,1H3,(H,18,19,23)
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106n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGH 21680 from Adenosine A2A receptor of rat striatal membranes


J Med Chem 39: 4142-8 (1996)


Article DOI: 10.1021/jm960482i
BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50455069
PNG
(CHEMBL2111571)
Show SMILES C[C@H](N)C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H13ClN6O2/c1-8(18)15(24)21-16-19-11-5-4-9(17)7-10(11)14-20-13(22-23(14)16)12-3-2-6-25-12/h2-8H,18H2,1H3,(H,19,21,24)/t8-/m0/s1
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143n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity was determined in radioligand binding assay at rat striatal Adenosine A2A receptor vs [3H]-CGS- 21680


J Med Chem 41: 2835-45 (1998)


Article DOI: 10.1021/jm980094b
BindingDB Entry DOI: 10.7270/Q25Q4V7D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50455072
PNG
(CHEMBL2112381)
Show SMILES C[C@@H](N)C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H13ClN6O2/c1-8(18)15(24)21-16-19-11-5-4-9(17)7-10(11)14-20-13(22-23(14)16)12-3-2-6-25-12/h2-8H,18H2,1H3,(H,19,21,24)/t8-/m1/s1
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193n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity was determined in radioligand binding assay at rat brain adenosine A1 receptor vs [3H]-R-PIA


J Med Chem 41: 2835-45 (1998)


Article DOI: 10.1021/jm980094b
BindingDB Entry DOI: 10.7270/Q25Q4V7D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50053931
PNG
(CHEMBL93932 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tria...)
Show SMILES Clc1ccc2nc(NC(=O)c3cccc(I)c3)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C20H11ClIN5O2/c21-12-6-7-15-14(10-12)18-24-17(16-5-2-8-29-16)26-27(18)20(23-15)25-19(28)11-3-1-4-13(22)9-11/h1-10H,(H,23,25,28)
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200n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-¿-PIA from Adenosine A1 receptor of rat cerebral cortex membranes


J Med Chem 39: 4142-8 (1996)


Article DOI: 10.1021/jm960482i
BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50053928
PNG
(CHEMBL317310 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...)
Show SMILES CC(C)(C)C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H16ClN5O2/c1-18(2,3)16(25)22-17-20-12-7-6-10(19)9-11(12)15-21-14(23-24(15)17)13-5-4-8-26-13/h4-9H,1-3H3,(H,20,22,25)
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205n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-¿-PIA from Adenosine A1 receptor of rat cerebral cortex membranes


J Med Chem 39: 4142-8 (1996)


Article DOI: 10.1021/jm960482i
BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50053928
PNG
(CHEMBL317310 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...)
Show SMILES CC(C)(C)C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H16ClN5O2/c1-18(2,3)16(25)22-17-20-12-7-6-10(19)9-11(12)15-21-14(23-24(15)17)13-5-4-8-26-13/h4-9H,1-3H3,(H,20,22,25)
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244n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro binding affinity at human Adenosine A3 receptor from HEK-293 cells by [125I]-AB-MECA displacement.


J Med Chem 39: 4142-8 (1996)


Article DOI: 10.1021/jm960482i
BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50053925
PNG
(CHEMBL317382 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...)
Show SMILES Clc1ccc2nc(NC(=O)c3ccccc3)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C20H12ClN5O2/c21-13-8-9-15-14(11-13)18-23-17(16-7-4-10-28-16)25-26(18)20(22-15)24-19(27)12-5-2-1-3-6-12/h1-11H,(H,22,24,27)
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273n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGH 21680 from Adenosine A2A receptor of rat striatal membranes


J Med Chem 39: 4142-8 (1996)


Article DOI: 10.1021/jm960482i
BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50053922
PNG
(CHEMBL329722 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...)
Show SMILES CCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H12ClN5O2/c1-2-13(23)19-16-18-11-6-5-9(17)8-10(11)15-20-14(21-22(15)16)12-4-3-7-24-12/h3-8H,2H2,1H3,(H,18,19,23)
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283n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-¿-PIA from Adenosine A1 receptor of rat cerebral cortex membranes


J Med Chem 39: 4142-8 (1996)


Article DOI: 10.1021/jm960482i
BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50053931
PNG
(CHEMBL93932 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tria...)
Show SMILES Clc1ccc2nc(NC(=O)c3cccc(I)c3)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C20H11ClIN5O2/c21-12-6-7-15-14(10-12)18-24-17(16-5-2-8-29-16)26-27(18)20(23-15)25-19(28)11-3-1-4-13(22)9-11/h1-10H,(H,23,25,28)
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310n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGH 21680 from Adenosine A2A receptor of rat striatal membranes


J Med Chem 39: 4142-8 (1996)


Article DOI: 10.1021/jm960482i
BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50455069
PNG
(CHEMBL2111571)
Show SMILES C[C@H](N)C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H13ClN6O2/c1-8(18)15(24)21-16-19-11-5-4-9(17)7-10(11)14-20-13(22-23(14)16)12-3-2-6-25-12/h2-8H,18H2,1H3,(H,19,21,24)/t8-/m0/s1
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390n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity was determined in radioligand binding assay at rat brain adenosine A1 receptor vs [3H]-R-PIA


J Med Chem 41: 2835-45 (1998)


Article DOI: 10.1021/jm980094b
BindingDB Entry DOI: 10.7270/Q25Q4V7D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50053925
PNG
(CHEMBL317382 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...)
Show SMILES Clc1ccc2nc(NC(=O)c3ccccc3)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C20H12ClN5O2/c21-13-8-9-15-14(11-13)18-23-17(16-7-4-10-28-16)25-26(18)20(22-15)24-19(27)12-5-2-1-3-6-12/h1-11H,(H,22,24,27)
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680n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of [3H]-¿-PIA from Adenosine A1 receptor of rat cerebral cortex membranes


J Med Chem 39: 4142-8 (1996)


Article DOI: 10.1021/jm960482i
BindingDB Entry DOI: 10.7270/Q2FQ9VQ2
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50455072
PNG
(CHEMBL2112381)
Show SMILES C[C@@H](N)C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H13ClN6O2/c1-8(18)15(24)21-16-19-11-5-4-9(17)7-10(11)14-20-13(22-23(14)16)12-3-2-6-25-12/h2-8H,18H2,1H3,(H,19,21,24)/t8-/m1/s1
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1.14E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity at cloned human adenosine A3 receptor expressed in HEK-293 cells was determined using [125I]-AB-MECA as radioligand


J Med Chem 41: 2835-45 (1998)


Article DOI: 10.1021/jm980094b
BindingDB Entry DOI: 10.7270/Q25Q4V7D
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50455069
PNG
(CHEMBL2111571)
Show SMILES C[C@H](N)C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H13ClN6O2/c1-8(18)15(24)21-16-19-11-5-4-9(17)7-10(11)14-20-13(22-23(14)16)12-3-2-6-25-12/h2-8H,18H2,1H3,(H,19,21,24)/t8-/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity at cloned human adenosine A3 receptor expressed in HEK-293 cells was determined using [125I]-AB-MECA as radioligand


J Med Chem 41: 2835-45 (1998)


Article DOI: 10.1021/jm980094b
BindingDB Entry DOI: 10.7270/Q25Q4V7D
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50023495
PNG
(2-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]qui...)
Show SMILES OCCNc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C15H12ClN5O2/c16-9-3-4-11-10(8-9)14-19-13(12-2-1-7-23-12)20-21(14)15(18-11)17-5-6-22/h1-4,7-8,22H,5-6H2,(H,17,18)
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n/an/a 56n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding to Adenosine-2 receptor using [3H]NECA in rat striatum


J Med Chem 31: 1014-20 (1988)


Article DOI: 10.1021/jm00400a022
BindingDB Entry DOI: 10.7270/Q2T43S4W
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50023490
PNG
(CHEMBL7582 | tert-Butyl-(9-chloro-2-furan-2-yl-[1,...)
Show SMILES CC(C)(C)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C17H16ClN5O/c1-17(2,3)21-16-19-12-7-6-10(18)9-11(12)15-20-14(22-23(15)16)13-5-4-8-24-13/h4-9H,1-3H3,(H,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding to Adenosine-2 receptor using [3H]NECA in rat striatum


J Med Chem 31: 1014-20 (1988)


Article DOI: 10.1021/jm00400a022
BindingDB Entry DOI: 10.7270/Q2T43S4W
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50023499
PNG
((9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quina...)
Show SMILES CNc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C14H10ClN5O/c1-16-14-17-10-5-4-8(15)7-9(10)13-18-12(19-20(13)14)11-3-2-6-21-11/h2-7H,1H3,(H,16,17)
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n/an/a 61n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding to Adenosine-2 receptor using [3H]NECA in rat striatum


J Med Chem 31: 1014-20 (1988)


Article DOI: 10.1021/jm00400a022
BindingDB Entry DOI: 10.7270/Q2T43S4W
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50023493
PNG
(CHEMBL266267 | sec-Butyl-(9-chloro-2-furan-2-yl-[1...)
Show SMILES CCC(C)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C17H16ClN5O/c1-3-10(2)19-17-20-13-7-6-11(18)9-12(13)16-21-15(22-23(16)17)14-5-4-8-24-14/h4-10H,3H2,1-2H3,(H,19,20)
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n/an/a 158n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding to Adenosine-2 receptor using [3H]NECA in rat striatum


J Med Chem 31: 1014-20 (1988)


Article DOI: 10.1021/jm00400a022
BindingDB Entry DOI: 10.7270/Q2T43S4W
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50023502
PNG
((9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quina...)
Show SMILES CN(C)c1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C15H12ClN5O/c1-20(2)15-17-11-6-5-9(16)8-10(11)14-18-13(19-21(14)15)12-4-3-7-22-12/h3-8H,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding to Adenosine-2 receptor using [3H]NECA in rat striatum


J Med Chem 31: 1014-20 (1988)


Article DOI: 10.1021/jm00400a022
BindingDB Entry DOI: 10.7270/Q2T43S4W
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50053923
PNG
(CHEMBL318251 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...)
Show SMILES CC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C15H10ClN5O2/c1-8(22)17-15-18-11-5-4-9(16)7-10(11)14-19-13(20-21(14)15)12-3-2-6-23-12/h2-7H,1H3,(H,17,18,22)
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n/an/a 2.65E+3n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of 50 uM 5`-(N-ethylcarboxamido)adenosine induced cAMP production in CHO cell line expressing human Adenosine A2B receptor


J Med Chem 41: 2835-45 (1998)


Article DOI: 10.1021/jm980094b
BindingDB Entry DOI: 10.7270/Q25Q4V7D
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50053928
PNG
(CHEMBL317310 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...)
Show SMILES CC(C)(C)C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H16ClN5O2/c1-18(2,3)16(25)22-17-20-12-7-6-10(19)9-11(12)15-21-14(23-24(15)17)13-5-4-8-26-13/h4-9H,1-3H3,(H,20,22,25)
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n/an/a 2.40E+3n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of 50 uM 5`-(N-ethylcarboxamido)adenosine induced cAMP production in CHO cell line expressing human Adenosine A2B receptor


J Med Chem 41: 2835-45 (1998)


Article DOI: 10.1021/jm980094b
BindingDB Entry DOI: 10.7270/Q25Q4V7D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50023493
PNG
(CHEMBL266267 | sec-Butyl-(9-chloro-2-furan-2-yl-[1...)
Show SMILES CCC(C)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C17H16ClN5O/c1-3-10(2)19-17-20-13-7-6-11(18)9-12(13)16-21-15(22-23(16)17)14-5-4-8-24-14/h4-10H,3H2,1-2H3,(H,19,20)
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n/an/a 61n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding towards adenosine A1 receptor using [3H]-N-cyclohexyladenosine ([3H]-CHA) in rat whole brain membranes.


J Med Chem 31: 1014-20 (1988)


Article DOI: 10.1021/jm00400a022
BindingDB Entry DOI: 10.7270/Q2T43S4W
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50023499
PNG
((9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quina...)
Show SMILES CNc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C14H10ClN5O/c1-16-14-17-10-5-4-8(15)7-9(10)13-18-12(19-20(13)14)11-3-2-6-21-11/h2-7H,1H3,(H,16,17)
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n/an/a 89n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding towards adenosine A1 receptor using [3H]-N-cyclohexyladenosine ([3H]-CHA) in rat whole brain membranes.


J Med Chem 31: 1014-20 (1988)


Article DOI: 10.1021/jm00400a022
BindingDB Entry DOI: 10.7270/Q2T43S4W
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50023500
PNG
((9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quina...)
Show SMILES CC(C)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H14ClN5O/c1-9(2)18-16-19-12-6-5-10(17)8-11(12)15-20-14(21-22(15)16)13-4-3-7-23-13/h3-9H,1-2H3,(H,18,19)
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n/an/a 22n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding towards adenosine A1 receptor using [3H]-N-cyclohexyladenosine ([3H]-CHA) in rat whole brain membranes.


J Med Chem 31: 1014-20 (1988)


Article DOI: 10.1021/jm00400a022
BindingDB Entry DOI: 10.7270/Q2T43S4W
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50023502
PNG
((9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quina...)
Show SMILES CN(C)c1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C15H12ClN5O/c1-20(2)15-17-11-6-5-9(16)8-10(11)14-18-13(19-21(14)15)12-4-3-7-22-12/h3-8H,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding towards adenosine A1 receptor using [3H]-N-cyclohexyladenosine ([3H]-CHA) in rat whole brain membranes.


J Med Chem 31: 1014-20 (1988)


Article DOI: 10.1021/jm00400a022
BindingDB Entry DOI: 10.7270/Q2T43S4W
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50023500
PNG
((9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quina...)
Show SMILES CC(C)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H14ClN5O/c1-9(2)18-16-19-12-6-5-10(17)8-11(12)15-20-14(21-22(15)16)13-4-3-7-23-13/h3-9H,1-2H3,(H,18,19)
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n/an/a 179n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding to Adenosine-2 receptor using [3H]NECA in rat striatum


J Med Chem 31: 1014-20 (1988)


Article DOI: 10.1021/jm00400a022
BindingDB Entry DOI: 10.7270/Q2T43S4W
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50023490
PNG
(CHEMBL7582 | tert-Butyl-(9-chloro-2-furan-2-yl-[1,...)
Show SMILES CC(C)(C)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C17H16ClN5O/c1-17(2,3)21-16-19-12-7-6-10(18)9-11(12)15-20-14(22-23(15)16)13-5-4-8-24-13/h4-9H,1-3H3,(H,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding towards adenosine A1 receptor using [3H]-N-cyclohexyladenosine ([3H]-CHA) in rat whole brain membranes.


J Med Chem 31: 1014-20 (1988)


Article DOI: 10.1021/jm00400a022
BindingDB Entry DOI: 10.7270/Q2T43S4W
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50023495
PNG
(2-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]qui...)
Show SMILES OCCNc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C15H12ClN5O2/c16-9-3-4-11-10(8-9)14-19-13(12-2-1-7-23-12)20-21(14)15(18-11)17-5-6-22/h1-4,7-8,22H,5-6H2,(H,17,18)
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n/an/a 21n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding towards adenosine A1 receptor using [3H]-N-cyclohexyladenosine ([3H]-CHA) in rat whole brain membranes.


J Med Chem 31: 1014-20 (1988)


Article DOI: 10.1021/jm00400a022
BindingDB Entry DOI: 10.7270/Q2T43S4W
More data for this
Ligand-Target Pair