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PubMed code 12139445

Compile data set for download or QSAR
Found 36 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50116370
PNG
(1-Benzyl-3-propyl-1H-1,3,4b,9-tetraaza-fluorene-2,...)
Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O
Show InChI InChI=1S/C19H18N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h3-10,12H,2,11,13H2,1H3
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 4n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50116384
PNG
(1-Benzyl-3-cyclopropylmethyl-1H-1,3,4b,9-tetraaza-...)
Show SMILES O=c1n(Cc2ccccc2)c2nc3ccccn3c2c(=O)n1CC1CC1
Show InChI InChI=1S/C20H18N4O2/c25-19-17-18(21-16-8-4-5-11-22(16)17)23(12-14-6-2-1-3-7-14)20(26)24(19)13-15-9-10-15/h1-8,11,15H,9-10,12-13H2
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 4.20n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50116371
PNG
(3-Allyl-1-benzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4...)
Show SMILES C=CCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O
Show InChI InChI=1S/C19H16N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h2-10,12H,1,11,13H2
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 5n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50116382
PNG
(1-Benzyl-3-isobutyl-1H-1,3,4b,9-tetraaza-fluorene-...)
Show SMILES CC(C)Cn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O
Show InChI InChI=1S/C20H20N4O2/c1-14(2)12-24-19(25)17-18(21-16-10-6-7-11-22(16)17)23(20(24)26)13-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3
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 6.30n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50116375
PNG
(1-(4-Methoxy-benzyl)-3-propyl-1H-1,3,4b,9-tetraaza...)
Show SMILES CCCn1c(=O)n(Cc2ccc(OC)cc2)c2nc3ccccn3c2c1=O
Show InChI InChI=1S/C20H20N4O3/c1-3-11-23-19(25)17-18(21-16-6-4-5-12-22(16)17)24(20(23)26)13-14-7-9-15(27-2)10-8-14/h4-10,12H,3,11,13H2,1-2H3
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 8.30n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50116368
PNG
(1-Benzyl-7-methoxy-3-propyl-1H-1,3,4b,9-tetraaza-f...)
Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3cc(OC)ccn3c2c1=O
Show InChI InChI=1S/C20H20N4O3/c1-3-10-23-19(25)17-18(21-16-12-15(27-2)9-11-22(16)17)24(20(23)26)13-14-7-5-4-6-8-14/h4-9,11-12H,3,10,13H2,1-2H3
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 10n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50116373
PNG
(1-Benzyl-3-prop-2-ynyl-1H-1,3,4b,9-tetraaza-fluore...)
Show SMILES O=c1n(Cc2ccccc2)c2nc3ccccn3c2c(=O)n1CC#C
Show InChI InChI=1S/C19H14N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h1,3-10,12H,11,13H2
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 14n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50116382
PNG
(1-Benzyl-3-isobutyl-1H-1,3,4b,9-tetraaza-fluorene-...)
Show SMILES CC(C)Cn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O
Show InChI InChI=1S/C20H20N4O2/c1-14(2)12-24-19(25)17-18(21-16-10-6-7-11-22(16)17)23(20(24)26)13-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3
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 28n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from CHO cell membrane expressing human Adenosine A1 receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50116367
PNG
(1-Benzyl-7-phenyl-3-propyl-1H-1,3,4b,9-tetraaza-fl...)
Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3cc(ccn3c2c1=O)-c1ccccc1
Show InChI InChI=1S/C25H22N4O2/c1-2-14-28-24(30)22-23(29(25(28)31)17-18-9-5-3-6-10-18)26-21-16-20(13-15-27(21)22)19-11-7-4-8-12-19/h3-13,15-16H,2,14,17H2,1H3
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 35n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50116379
PNG
(1-Benzyl-3-ethyl-1H-1,3,4b,9-tetraaza-fluorene-2,4...)
Show SMILES CCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O
Show InChI InChI=1S/C18H16N4O2/c1-2-20-17(23)15-16(19-14-10-6-7-11-21(14)15)22(18(20)24)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
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 36n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50116371
PNG
(3-Allyl-1-benzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4...)
Show SMILES C=CCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O
Show InChI InChI=1S/C19H16N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h2-10,12H,1,11,13H2
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 42n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from CHO cell membrane expressing human Adenosine A1 receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50116370
PNG
(1-Benzyl-3-propyl-1H-1,3,4b,9-tetraaza-fluorene-2,...)
Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O
Show InChI InChI=1S/C19H18N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h3-10,12H,2,11,13H2,1H3
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 50n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from CHO cell membrane expressing human Adenosine A1 receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50116377
PNG
(1-(3-Methyl-benzyl)-3-propyl-1H-1,3,4b,9-tetraaza-...)
Show SMILES CCCn1c(=O)n(Cc2cccc(C)c2)c2nc3ccccn3c2c1=O
Show InChI InChI=1S/C20H20N4O2/c1-3-10-23-19(25)17-18(21-16-9-4-5-11-22(16)17)24(20(23)26)13-15-8-6-7-14(2)12-15/h4-9,11-12H,3,10,13H2,1-2H3
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 68n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50116381
PNG
(1,3-Dibenzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dio...)
Show SMILES O=c1n(Cc2ccccc2)c2nc3ccccn3c2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C23H18N4O2/c28-22-20-21(24-19-13-7-8-14-25(19)20)26(15-17-9-3-1-4-10-17)23(29)27(22)16-18-11-5-2-6-12-18/h1-14H,15-16H2
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 77n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50116375
PNG
(1-(4-Methoxy-benzyl)-3-propyl-1H-1,3,4b,9-tetraaza...)
Show SMILES CCCn1c(=O)n(Cc2ccc(OC)cc2)c2nc3ccccn3c2c1=O
Show InChI InChI=1S/C20H20N4O3/c1-3-11-23-19(25)17-18(21-16-6-4-5-12-22(16)17)24(20(23)26)13-14-7-9-15(27-2)10-8-14/h4-10,12H,3,11,13H2,1-2H3
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 83n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from CHO cell membrane expressing human Adenosine A1 receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50116373
PNG
(1-Benzyl-3-prop-2-ynyl-1H-1,3,4b,9-tetraaza-fluore...)
Show SMILES O=c1n(Cc2ccccc2)c2nc3ccccn3c2c(=O)n1CC#C
Show InChI InChI=1S/C19H14N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h1,3-10,12H,11,13H2
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 96n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM-241,385 from CHO cell membrane expressing human Adenosine A2A receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50116366
PNG
(1-Benzyl-3-cyclohexylmethyl-1H-1,3,4b,9-tetraaza-f...)
Show SMILES O=c1n(Cc2ccccc2)c2nc3ccccn3c2c(=O)n1CC1CCCCC1
Show InChI InChI=1S/C23H24N4O2/c28-22-20-21(24-19-13-7-8-14-25(19)20)26(15-17-9-3-1-4-10-17)23(29)27(22)16-18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15-16H2
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 114n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50116370
PNG
(1-Benzyl-3-propyl-1H-1,3,4b,9-tetraaza-fluorene-2,...)
Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O
Show InChI InChI=1S/C19H18N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h3-10,12H,2,11,13H2,1H3
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 119n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM-241,385 from CHO cell membrane expressing human Adenosine A2A receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50116373
PNG
(1-Benzyl-3-prop-2-ynyl-1H-1,3,4b,9-tetraaza-fluore...)
Show SMILES O=c1n(Cc2ccccc2)c2nc3ccccn3c2c(=O)n1CC#C
Show InChI InChI=1S/C19H14N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h1,3-10,12H,11,13H2
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 124n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from CHO cell membrane expressing human Adenosine A1 receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50116371
PNG
(3-Allyl-1-benzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4...)
Show SMILES C=CCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O
Show InChI InChI=1S/C19H16N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h2-10,12H,1,11,13H2
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 161n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM-241,385 from CHO cell membrane expressing human Adenosine A2A receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50116368
PNG
(1-Benzyl-7-methoxy-3-propyl-1H-1,3,4b,9-tetraaza-f...)
Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3cc(OC)ccn3c2c1=O
Show InChI InChI=1S/C20H20N4O3/c1-3-10-23-19(25)17-18(21-16-12-15(27-2)9-11-22(16)17)24(20(23)26)13-14-7-5-4-6-8-14/h4-9,11-12H,3,10,13H2,1-2H3
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 179n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from CHO cell membrane expressing human Adenosine A1 receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50116369
PNG
(1-Benzyl-7-phenyl-1H-1,3,4b,9-tetraaza-fluorene-2,...)
Show SMILES O=c1[nH]c(=O)c2c(nc3cc(ccn23)-c2ccccc2)n1Cc1ccccc1
Show InChI InChI=1S/C22H16N4O2/c27-21-19-20(26(22(28)24-21)14-15-7-3-1-4-8-15)23-18-13-17(11-12-25(18)19)16-9-5-2-6-10-16/h1-13H,14H2,(H,24,27,28)
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 200n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50116374
PNG
(1-Benzyl-7-methoxy-1H-1,3,4b,9-tetraaza-fluorene-2...)
Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)[nH]c(=O)c21
Show InChI InChI=1S/C17H14N4O3/c1-24-12-7-8-20-13(9-12)18-15-14(20)16(22)19-17(23)21(15)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,19,22,23)
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 210n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50116380
PNG
(1-Benzyl-3-(4-methoxy-benzyl)-1H-1,3,4b,9-tetraaza...)
Show SMILES COc1ccc(Cn2c(=O)n(Cc3ccccc3)c3nc4ccccn4c3c2=O)cc1
Show InChI InChI=1S/C24H20N4O3/c1-31-19-12-10-18(11-13-19)16-28-23(29)21-22(25-20-9-5-6-14-26(20)21)27(24(28)30)15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3
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 213n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50116384
PNG
(1-Benzyl-3-cyclopropylmethyl-1H-1,3,4b,9-tetraaza-...)
Show SMILES O=c1n(Cc2ccccc2)c2nc3ccccn3c2c(=O)n1CC1CC1
Show InChI InChI=1S/C20H18N4O2/c25-19-17-18(21-16-8-4-5-11-22(16)17)23(12-14-6-2-1-3-7-14)20(26)24(19)13-15-9-10-15/h1-8,11,15H,9-10,12-13H2
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 242n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM-241,385 from CHO cell membrane expressing human Adenosine A2A receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50116379
PNG
(1-Benzyl-3-ethyl-1H-1,3,4b,9-tetraaza-fluorene-2,4...)
Show SMILES CCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O
Show InChI InChI=1S/C18H16N4O2/c1-2-20-17(23)15-16(19-14-10-6-7-11-21(14)15)22(18(20)24)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
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 325n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from CHO cell membrane expressing human Adenosine A1 receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50116378
PNG
(1-Benzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione |...)
Show SMILES O=c1[nH]c(=O)c2c(nc3ccccn23)n1Cc1ccccc1
Show InChI InChI=1S/C16H12N4O2/c21-15-13-14(17-12-8-4-5-9-19(12)13)20(16(22)18-15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21,22)
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 370n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50116372
PNG
(1-Benzyl-7-tert-butyl-3-propyl-1H-1,3,4b,9-tetraaz...)
Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3cc(ccn3c2c1=O)C(C)(C)C
Show InChI InChI=1S/C23H26N4O2/c1-5-12-26-21(28)19-20(27(22(26)29)15-16-9-7-6-8-10-16)24-18-14-17(23(2,3)4)11-13-25(18)19/h6-11,13-14H,5,12,15H2,1-4H3
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 385n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM-241,385 from CHO cell membrane expressing human Adenosine A2A receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50116383
PNG
(1-Benzyl-7-tert-butyl-1H-1,3,4b,9-tetraaza-fluoren...)
Show SMILES CC(C)(C)c1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)[nH]c(=O)c21
Show InChI InChI=1S/C20H20N4O2/c1-20(2,3)14-9-10-23-15(11-14)21-17-16(23)18(25)22-19(26)24(17)12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,22,25,26)
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 555n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50116379
PNG
(1-Benzyl-3-ethyl-1H-1,3,4b,9-tetraaza-fluorene-2,4...)
Show SMILES CCn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O
Show InChI InChI=1S/C18H16N4O2/c1-2-20-17(23)15-16(19-14-10-6-7-11-21(14)15)22(18(20)24)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
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 584n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM-241,385 from CHO cell membrane expressing human Adenosine A2A receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50116372
PNG
(1-Benzyl-7-tert-butyl-3-propyl-1H-1,3,4b,9-tetraaz...)
Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3cc(ccn3c2c1=O)C(C)(C)C
Show InChI InChI=1S/C23H26N4O2/c1-5-12-26-21(28)19-20(27(22(26)29)15-16-9-7-6-8-10-16)24-18-14-17(23(2,3)4)11-13-25(18)19/h6-11,13-14H,5,12,15H2,1-4H3
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 950n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50116385
PNG
(4-(1-Benzyl-2,4-dioxo-1,4-dihydro-2H-1,3,4b,9-tetr...)
Show SMILES COC(=O)\C=C\Cn1c(=O)n(Cc2ccccc2)c2nc3ccccn3c2c1=O
Show InChI InChI=1S/C21H18N4O4/c1-29-17(26)11-7-13-24-20(27)18-19(22-16-10-5-6-12-23(16)18)25(21(24)28)14-15-8-3-2-4-9-15/h2-12H,13-14H2,1H3/b11-7+
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 1.13E+3n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50116372
PNG
(1-Benzyl-7-tert-butyl-3-propyl-1H-1,3,4b,9-tetraaz...)
Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3cc(ccn3c2c1=O)C(C)(C)C
Show InChI InChI=1S/C23H26N4O2/c1-5-12-26-21(28)19-20(27(22(26)29)15-16-9-7-6-8-10-16)24-18-14-17(23(2,3)4)11-13-25(18)19/h6-11,13-14H,5,12,15H2,1-4H3
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 1.46E+3n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from CHO cell membrane expressing human Adenosine A1 receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50116376
PNG
(1-Methyl-3-propyl-1H-1,3,4b,9-tetraaza-fluorene-2,...)
Show SMILES CCCn1c(=O)n(C)c2nc3ccccn3c2c1=O
Show InChI InChI=1S/C13H14N4O2/c1-3-7-17-12(18)10-11(15(2)13(17)19)14-9-6-4-5-8-16(9)10/h4-6,8H,3,7H2,1-2H3
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 2.10E+3n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from CHO cell membrane expressing human Adenosine A1 receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50116376
PNG
(1-Methyl-3-propyl-1H-1,3,4b,9-tetraaza-fluorene-2,...)
Show SMILES CCCn1c(=O)n(C)c2nc3ccccn3c2c1=O
Show InChI InChI=1S/C13H14N4O2/c1-3-7-17-12(18)10-11(15(2)13(17)19)14-9-6-4-5-8-16(9)10/h4-6,8H,3,7H2,1-2H3
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 3.02E+3n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50116381
PNG
(1,3-Dibenzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dio...)
Show SMILES O=c1n(Cc2ccccc2)c2nc3ccccn3c2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C23H18N4O2/c28-22-20-21(24-19-13-7-8-14-25(19)20)26(15-17-9-3-1-4-10-17)23(29)27(22)16-18-11-5-2-6-12-18/h1-14H,15-16H2
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 2.58E+4n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM-241,385 from CHO cell membrane expressing human Adenosine A2A receptor

J Med Chem 45: 3337-44 (2002)


BindingDB Entry DOI: 10.7270/Q2H994JM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%