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PubMed code 27721147

Compile data set for download or QSAR
Found 30 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
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50259308
PNG
(CHEMBL4068878)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cn2cc(nc12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C26H20N4O2/c1-32-21-14-12-20(13-15-21)26(31)29-24-25-28-23(19-10-6-3-7-11-19)17-30(25)16-22(27-24)18-8-4-2-5-9-18/h2-17H,1H3,(H,27,29,31)
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 25n/an/an/an/an/an/an/an/a



Dipartimento di Neuroscienze, Psicologia, Area del Farmaco e Salute del Bambino, Sez. Farmaceutica e Nutraceutica, Universita' degli Studi di Firenze, Via Ugo Schiff 6, 50019, Sesto Fiorentino (FI),

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.076
BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50259310
PNG
(CHEMBL4091060)
Show SMILES Fc1ccc(cc1)C(=O)Nc1nc(cn2cc(nc12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C25H17FN4O/c26-20-13-11-19(12-14-20)25(31)29-23-24-28-22(18-9-5-2-6-10-18)16-30(24)15-21(27-23)17-7-3-1-4-8-17/h1-16H,(H,27,29,31)
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 38n/an/an/an/an/an/an/an/a



Dipartimento di Neuroscienze, Psicologia, Area del Farmaco e Salute del Bambino, Sez. Farmaceutica e Nutraceutica, Universita' degli Studi di Firenze, Via Ugo Schiff 6, 50019, Sesto Fiorentino (FI),

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.076
BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50259303
PNG
(CHEMBL4092103)
Show SMILES O=C(Nc1nccn2cc(nc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H14N4O/c24-19(15-9-5-2-6-10-15)22-17-18-21-16(13-23(18)12-11-20-17)14-7-3-1-4-8-14/h1-13H,(H,20,22,24)
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 52n/an/an/an/an/an/an/an/a



Dipartimento di Neuroscienze, Psicologia, Area del Farmaco e Salute del Bambino, Sez. Farmaceutica e Nutraceutica, Universita' degli Studi di Firenze, Via Ugo Schiff 6, 50019, Sesto Fiorentino (FI),

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.076
BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50259315
PNG
(CHEMBL4069012)
Show SMILES O=C(Nc1nc(cn2cc(nc12)-c1ccccc1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C24H17N5O/c30-24(19-12-7-13-25-14-19)28-22-23-27-21(18-10-5-2-6-11-18)16-29(23)15-20(26-22)17-8-3-1-4-9-17/h1-16H,(H,26,28,30)
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 54n/an/an/an/an/an/an/an/a



Dipartimento di Neuroscienze, Psicologia, Area del Farmaco e Salute del Bambino, Sez. Farmaceutica e Nutraceutica, Universita' degli Studi di Firenze, Via Ugo Schiff 6, 50019, Sesto Fiorentino (FI),

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.076
BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50259304
PNG
(CHEMBL4070079)
Show SMILES O=C(N(C(=O)c1ccccc1)c1nccn2cc(nc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H18N4O2/c31-25(20-12-6-2-7-13-20)30(26(32)21-14-8-3-9-15-21)23-24-28-22(18-29(24)17-16-27-23)19-10-4-1-5-11-19/h1-18H
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 64n/an/an/an/an/an/an/an/a



Dipartimento di Neuroscienze, Psicologia, Area del Farmaco e Salute del Bambino, Sez. Farmaceutica e Nutraceutica, Universita' degli Studi di Firenze, Via Ugo Schiff 6, 50019, Sesto Fiorentino (FI),

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.076
BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50259311
PNG
(CHEMBL4105423)
Show SMILES O=C(Nc1nc(cn2cc(nc12)-c1ccccc1)-c1ccccc1)c1ccco1
Show InChI InChI=1S/C23H16N4O2/c28-23(20-12-7-13-29-20)26-21-22-25-19(17-10-5-2-6-11-17)15-27(22)14-18(24-21)16-8-3-1-4-9-16/h1-15H,(H,24,26,28)
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 67n/an/an/an/an/an/an/an/a



Dipartimento di Neuroscienze, Psicologia, Area del Farmaco e Salute del Bambino, Sez. Farmaceutica e Nutraceutica, Universita' degli Studi di Firenze, Via Ugo Schiff 6, 50019, Sesto Fiorentino (FI),

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.076
BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50259314
PNG
(CHEMBL4075640)
Show SMILES O=C(Nc1nc(cn2cc(nc12)-c1ccccc1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H18N4O/c30-25(20-14-8-3-9-15-20)28-23-24-27-22(19-12-6-2-7-13-19)17-29(24)16-21(26-23)18-10-4-1-5-11-18/h1-17H,(H,26,28,30)
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 82n/an/an/an/an/an/an/an/a



Dipartimento di Neuroscienze, Psicologia, Area del Farmaco e Salute del Bambino, Sez. Farmaceutica e Nutraceutica, Universita' degli Studi di Firenze, Via Ugo Schiff 6, 50019, Sesto Fiorentino (FI),

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.076
BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50259307
PNG
(CHEMBL4082271)
Show SMILES COc1ccc(cc1)-c1cn2ccnc(NC(=O)c3ccccc3)c2n1
Show InChI InChI=1S/C20H16N4O2/c1-26-16-9-7-14(8-10-16)17-13-24-12-11-21-18(19(24)22-17)23-20(25)15-5-3-2-4-6-15/h2-13H,1H3,(H,21,23,25)
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 121n/an/an/an/an/an/an/an/a



Dipartimento di Neuroscienze, Psicologia, Area del Farmaco e Salute del Bambino, Sez. Farmaceutica e Nutraceutica, Universita' degli Studi di Firenze, Via Ugo Schiff 6, 50019, Sesto Fiorentino (FI),

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.076
BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50259300
PNG
(CHEMBL4101016)
Show SMILES Nc1nc(cn2cc(nc12)-c1ccco1)-c1ccccc1
Show InChI InChI=1S/C16H12N4O/c17-15-16-19-13(14-7-4-8-21-14)10-20(16)9-12(18-15)11-5-2-1-3-6-11/h1-10H,(H2,17,18)
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 143n/an/an/an/an/an/an/an/a



Dipartimento di Neuroscienze, Psicologia, Area del Farmaco e Salute del Bambino, Sez. Farmaceutica e Nutraceutica, Universita' degli Studi di Firenze, Via Ugo Schiff 6, 50019, Sesto Fiorentino (FI),

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.076
BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50259317
PNG
(CHEMBL4064023)
Show SMILES Clc1ccc(cc1)C(=O)Nc1nc(cn2cc(nc12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C25H17ClN4O/c26-20-13-11-19(12-14-20)25(31)29-23-24-28-22(18-9-5-2-6-10-18)16-30(24)15-21(27-23)17-7-3-1-4-8-17/h1-16H,(H,27,29,31)
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 156n/an/an/an/an/an/an/an/a



Dipartimento di Neuroscienze, Psicologia, Area del Farmaco e Salute del Bambino, Sez. Farmaceutica e Nutraceutica, Universita' degli Studi di Firenze, Via Ugo Schiff 6, 50019, Sesto Fiorentino (FI),

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.076
BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50259316
PNG
(CHEMBL4070253)
Show SMILES COc1ccc(cc1)C(=O)Nc1nccn2cc(nc12)-c1ccccc1
Show InChI InChI=1S/C20H16N4O2/c1-26-16-9-7-15(8-10-16)20(25)23-18-19-22-17(13-24(19)12-11-21-18)14-5-3-2-4-6-14/h2-13H,1H3,(H,21,23,25)
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 162n/an/an/an/an/an/an/an/a



Dipartimento di Neuroscienze, Psicologia, Area del Farmaco e Salute del Bambino, Sez. Farmaceutica e Nutraceutica, Universita' degli Studi di Firenze, Via Ugo Schiff 6, 50019, Sesto Fiorentino (FI),

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.076
BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50259298
PNG
(CHEMBL4105350)
Show SMILES Nc1nc(cn2cc(nc12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C18H14N4/c19-17-18-21-16(14-9-5-2-6-10-14)12-22(18)11-15(20-17)13-7-3-1-4-8-13/h1-12H,(H2,19,20)
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 180n/an/an/an/an/an/an/an/a



Dipartimento di Neuroscienze, Psicologia, Area del Farmaco e Salute del Bambino, Sez. Farmaceutica e Nutraceutica, Universita' degli Studi di Firenze, Via Ugo Schiff 6, 50019, Sesto Fiorentino (FI),

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.076
BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50259312
PNG
(CHEMBL4082842)
Show SMILES O=C(Nc1nc(cn2cc(nc12)-c1ccccc1)-c1ccccc1)c1cccs1
Show InChI InChI=1S/C23H16N4OS/c28-23(20-12-7-13-29-20)26-21-22-25-19(17-10-5-2-6-11-17)15-27(22)14-18(24-21)16-8-3-1-4-9-16/h1-15H,(H,24,26,28)
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 185n/an/an/an/an/an/an/an/a



Dipartimento di Neuroscienze, Psicologia, Area del Farmaco e Salute del Bambino, Sez. Farmaceutica e Nutraceutica, Universita' degli Studi di Firenze, Via Ugo Schiff 6, 50019, Sesto Fiorentino (FI),

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.076
BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50259301
PNG
(CHEMBL4070713)
Show SMILES Nc1nc(Br)cn2cc(nc12)-c1ccco1
Show InChI InChI=1S/C10H7BrN4O/c11-8-5-15-4-6(7-2-1-3-16-7)13-10(15)9(12)14-8/h1-5H,(H2,12,14)
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 210n/an/an/an/an/an/an/an/a



Dipartimento di Neuroscienze, Psicologia, Area del Farmaco e Salute del Bambino, Sez. Farmaceutica e Nutraceutica, Universita' degli Studi di Firenze, Via Ugo Schiff 6, 50019, Sesto Fiorentino (FI),

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.076
BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50259309
PNG
(CHEMBL4089977)
Show SMILES Cc1ccc(cc1)C(=O)Nc1nc(cn2cc(nc12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C26H20N4O/c1-18-12-14-21(15-13-18)26(31)29-24-25-28-23(20-10-6-3-7-11-20)17-30(25)16-22(27-24)19-8-4-2-5-9-19/h2-17H,1H3,(H,27,29,31)
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 223n/an/an/an/an/an/an/an/a



Dipartimento di Neuroscienze, Psicologia, Area del Farmaco e Salute del Bambino, Sez. Farmaceutica e Nutraceutica, Universita' degli Studi di Firenze, Via Ugo Schiff 6, 50019, Sesto Fiorentino (FI),

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.076
BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50259306
PNG
(CHEMBL4084789)
Show SMILES O=C(Nc1nccn2cc(nc12)-c1ccccc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H20N4O/c31-26(23(20-12-6-2-7-13-20)21-14-8-3-9-15-21)29-24-25-28-22(18-30(25)17-16-27-24)19-10-4-1-5-11-19/h1-18,23H,(H,27,29,31)
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 245n/an/an/an/an/an/an/an/a



Dipartimento di Neuroscienze, Psicologia, Area del Farmaco e Salute del Bambino, Sez. Farmaceutica e Nutraceutica, Universita' degli Studi di Firenze, Via Ugo Schiff 6, 50019, Sesto Fiorentino (FI),

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.076
BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50259301
PNG
(CHEMBL4070713)
Show SMILES Nc1nc(Br)cn2cc(nc12)-c1ccco1
Show InChI InChI=1S/C10H7BrN4O/c11-8-5-15-4-6(7-2-1-3-16-7)13-10(15)9(12)14-8/h1-5H,(H2,12,14)
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 265n/an/an/an/an/an/an/an/a



Dipartimento di Neuroscienze, Psicologia, Area del Farmaco e Salute del Bambino, Sez. Farmaceutica e Nutraceutica, Universita' degli Studi di Firenze, Via Ugo Schiff 6, 50019, Sesto Fiorentino (FI),

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 60 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.076
BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50259298
PNG
(CHEMBL4105350)
Show SMILES Nc1nc(cn2cc(nc12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C18H14N4/c19-17-18-21-16(14-9-5-2-6-10-14)12-22(18)11-15(20-17)13-7-3-1-4-8-13/h1-12H,(H2,19,20)
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 310n/an/an/an/an/an/an/an/a



Dipartimento di Neuroscienze, Psicologia, Area del Farmaco e Salute del Bambino, Sez. Farmaceutica e Nutraceutica, Universita' degli Studi di Firenze, Via Ugo Schiff 6, 50019, Sesto Fiorentino (FI),

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 60 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.076
BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50259313
PNG
(CHEMBL4099880)
Show SMILES COc1ccc(cc1)-c1cn2cc(nc(NC(=O)c3ccccc3)c2n1)-c1ccccc1
Show InChI InChI=1S/C26H20N4O2/c1-32-21-14-12-19(13-15-21)23-17-30-16-22(18-8-4-2-5-9-18)27-24(25(30)28-23)29-26(31)20-10-6-3-7-11-20/h2-17H,1H3,(H,27,29,31)
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 312n/an/an/an/an/an/an/an/a



Dipartimento di Neuroscienze, Psicologia, Area del Farmaco e Salute del Bambino, Sez. Farmaceutica e Nutraceutica, Universita' degli Studi di Firenze, Via Ugo Schiff 6, 50019, Sesto Fiorentino (FI),

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.076
BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50259302
PNG
(CHEMBL4071067)
Show SMILES Nc1nc(cn2cc(nc12)-c1ccco1)-c1ccco1
Show InChI InChI=1S/C14H10N4O2/c15-13-14-17-10(12-4-2-6-20-12)8-18(14)7-9(16-13)11-3-1-5-19-11/h1-8H,(H2,15,16)
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 316n/an/an/an/an/an/an/an/a



Dipartimento di Neuroscienze, Psicologia, Area del Farmaco e Salute del Bambino, Sez. Farmaceutica e Nutraceutica, Universita' degli Studi di Firenze, Via Ugo Schiff 6, 50019, Sesto Fiorentino (FI),

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.076
BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50259297
PNG
(CHEMBL4062085)
Show SMILES Nc1nc(Br)cn2cc(nc12)-c1ccccc1
Show InChI InChI=1S/C12H9BrN4/c13-10-7-17-6-9(8-4-2-1-3-5-8)15-12(17)11(14)16-10/h1-7H,(H2,14,16)
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 420n/an/an/an/an/an/an/an/a



Dipartimento di Neuroscienze, Psicologia, Area del Farmaco e Salute del Bambino, Sez. Farmaceutica e Nutraceutica, Universita' degli Studi di Firenze, Via Ugo Schiff 6, 50019, Sesto Fiorentino (FI),

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.076
BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50259300
PNG
(CHEMBL4101016)
Show SMILES Nc1nc(cn2cc(nc12)-c1ccco1)-c1ccccc1
Show InChI InChI=1S/C16H12N4O/c17-15-16-19-13(14-7-4-8-21-14)10-20(16)9-12(18-15)11-5-2-1-3-6-11/h1-10H,(H2,17,18)
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 520n/an/an/an/an/an/an/an/a



Dipartimento di Neuroscienze, Psicologia, Area del Farmaco e Salute del Bambino, Sez. Farmaceutica e Nutraceutica, Universita' degli Studi di Firenze, Via Ugo Schiff 6, 50019, Sesto Fiorentino (FI),

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 60 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.076
BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50259299
PNG
(CHEMBL4076998)
Show SMILES COc1ccc(cc1)-c1cn2cc(nc(N)c2n1)-c1ccccc1
Show InChI InChI=1S/C19H16N4O/c1-24-15-9-7-14(8-10-15)17-12-23-11-16(13-5-3-2-4-6-13)21-18(20)19(23)22-17/h2-12H,1H3,(H2,20,21)
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 524n/an/an/an/an/an/an/an/a



Dipartimento di Neuroscienze, Psicologia, Area del Farmaco e Salute del Bambino, Sez. Farmaceutica e Nutraceutica, Universita' degli Studi di Firenze, Via Ugo Schiff 6, 50019, Sesto Fiorentino (FI),

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.076
BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50259305
PNG
(CHEMBL4075670)
Show SMILES O=C(Cc1ccccc1)Nc1nccn2cc(nc12)-c1ccccc1
Show InChI InChI=1S/C20H16N4O/c25-18(13-15-7-3-1-4-8-15)23-19-20-22-17(14-24(20)12-11-21-19)16-9-5-2-6-10-16/h1-12,14H,13H2,(H,21,23,25)
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 524n/an/an/an/an/an/an/an/a



Dipartimento di Neuroscienze, Psicologia, Area del Farmaco e Salute del Bambino, Sez. Farmaceutica e Nutraceutica, Universita' degli Studi di Firenze, Via Ugo Schiff 6, 50019, Sesto Fiorentino (FI),

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.076
BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50259302
PNG
(CHEMBL4071067)
Show SMILES Nc1nc(cn2cc(nc12)-c1ccco1)-c1ccco1
Show InChI InChI=1S/C14H10N4O2/c15-13-14-17-10(12-4-2-6-20-12)8-18(14)7-9(16-13)11-3-1-5-19-11/h1-8H,(H2,15,16)
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 854n/an/an/an/an/an/an/an/a



Dipartimento di Neuroscienze, Psicologia, Area del Farmaco e Salute del Bambino, Sez. Farmaceutica e Nutraceutica, Universita' degli Studi di Firenze, Via Ugo Schiff 6, 50019, Sesto Fiorentino (FI),

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 60 mins by scintillation counting method

Eur J Med Chem 125: 611-628 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.076
BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50259308
PNG
(CHEMBL4068878)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cn2cc(nc12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C26H20N4O2/c1-32-21-14-12-20(13-15-21)26(31)29-24-25-28-23(19-10-6-3-7-11-19)17-30(25)16-22(27-24)18-8-4-2-5-9-18/h2-17H,1H3,(H,27,29,31)
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n/an/a 73n/an/an/an/an/an/a



Dipartimento di Neuroscienze, Psicologia, Area del Farmaco e Salute del Bambino, Sez. Farmaceutica e Nutraceutica, Universita' degli Studi di Firenze, Via Ugo Schiff 6, 50019, Sesto Fiorentino (FI),

Curated by ChEMBL


Assay Description
Antagonist activity at human A3 receptor expressed in CHO cells assessed as inhibition of CI-IB-MECA-mediated inhibition of cAMP production by [3H]cA...

Eur J Med Chem 125: 611-628 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.076
BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50259303
PNG
(CHEMBL4092103)
Show SMILES O=C(Nc1nccn2cc(nc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H14N4O/c24-19(15-9-5-2-6-10-15)22-17-18-21-16(13-23(18)12-11-20-17)14-7-3-1-4-8-14/h1-13H,(H,20,22,24)
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n/an/a 163n/an/an/an/an/an/a



Dipartimento di Neuroscienze, Psicologia, Area del Farmaco e Salute del Bambino, Sez. Farmaceutica e Nutraceutica, Universita' degli Studi di Firenze, Via Ugo Schiff 6, 50019, Sesto Fiorentino (FI),

Curated by ChEMBL


Assay Description
Antagonist activity at human A3 receptor expressed in CHO cells assessed as inhibition of CI-IB-MECA-mediated inhibition of cAMP production by [3H]cA...

Eur J Med Chem 125: 611-628 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.076
BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50259315
PNG
(CHEMBL4069012)
Show SMILES O=C(Nc1nc(cn2cc(nc12)-c1ccccc1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C24H17N5O/c30-24(19-12-7-13-25-14-19)28-22-23-27-21(18-10-5-2-6-11-18)16-29(23)15-20(26-22)17-8-3-1-4-9-17/h1-16H,(H,26,28,30)
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n/an/a 172n/an/an/an/an/an/a



Dipartimento di Neuroscienze, Psicologia, Area del Farmaco e Salute del Bambino, Sez. Farmaceutica e Nutraceutica, Universita' degli Studi di Firenze, Via Ugo Schiff 6, 50019, Sesto Fiorentino (FI),

Curated by ChEMBL


Assay Description
Antagonist activity at human A3 receptor expressed in CHO cells assessed as inhibition of CI-IB-MECA-mediated inhibition of cAMP production by [3H]cA...

Eur J Med Chem 125: 611-628 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.076
BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50259304
PNG
(CHEMBL4070079)
Show SMILES O=C(N(C(=O)c1ccccc1)c1nccn2cc(nc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H18N4O2/c31-25(20-12-6-2-7-13-20)30(26(32)21-14-8-3-9-15-21)23-24-28-22(18-29(24)17-16-27-23)19-10-4-1-5-11-19/h1-18H
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n/an/a 187n/an/an/an/an/an/a



Dipartimento di Neuroscienze, Psicologia, Area del Farmaco e Salute del Bambino, Sez. Farmaceutica e Nutraceutica, Universita' degli Studi di Firenze, Via Ugo Schiff 6, 50019, Sesto Fiorentino (FI),

Curated by ChEMBL


Assay Description
Antagonist activity at human A3 receptor expressed in CHO cells assessed as inhibition of CI-IB-MECA-mediated inhibition of cAMP production by [3H]cA...

Eur J Med Chem 125: 611-628 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.076
BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))		BDBM50259314
PNG
(CHEMBL4075640)
Show SMILES O=C(Nc1nc(cn2cc(nc12)-c1ccccc1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H18N4O/c30-25(20-14-8-3-9-15-20)28-23-24-27-22(19-12-6-2-7-13-19)17-29(24)16-21(26-23)18-10-4-1-5-11-18/h1-17H,(H,26,28,30)
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n/an/a 235n/an/an/an/an/an/a



Dipartimento di Neuroscienze, Psicologia, Area del Farmaco e Salute del Bambino, Sez. Farmaceutica e Nutraceutica, Universita' degli Studi di Firenze, Via Ugo Schiff 6, 50019, Sesto Fiorentino (FI),

Curated by ChEMBL


Assay Description
Antagonist activity at human A3 receptor expressed in CHO cells assessed as inhibition of CI-IB-MECA-mediated inhibition of cAMP production by [3H]cA...

Eur J Med Chem 125: 611-628 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.076
BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%