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Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50000714   
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



Universita degli Studi di Firenze

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)


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



Universita degli Studi di Firenze

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)


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



Universita degli Studi di Firenze

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)


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



Universita degli Studi di Firenze

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)


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



Universita degli Studi di Firenze

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)


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



Universita degli Studi di Firenze

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)


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



Universita degli Studi di Firenze

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)


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



Universita degli Studi di Firenze

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)


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



Universita degli Studi di Firenze

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)


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



Universita degli Studi di Firenze

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)


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



Universita degli Studi di Firenze

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)


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



Universita degli Studi di Firenze

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)


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



Universita degli Studi di Firenze

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)


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



Universita degli Studi di Firenze

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)


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



Universita degli Studi di Firenze

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)


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



Universita degli Studi di Firenze

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)


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



Universita degli Studi di Firenze

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)


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



Universita degli Studi di Firenze

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)


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



Universita degli Studi di Firenze

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)


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



Universita degli Studi di Firenze

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)


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



Universita degli Studi di Firenze

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)


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



Universita degli Studi di Firenze

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)


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



Universita degli Studi di Firenze

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)


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



Universita degli Studi di Firenze

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)


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



Universita degli Studi di Firenze

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)


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



Universita degli Studi di Firenze

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)


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



Universita degli Studi di Firenze

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)


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



Universita degli Studi di Firenze

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)


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



Universita degli Studi di Firenze

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)


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



Universita degli Studi di Firenze

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)


BindingDB Entry DOI: 10.7270/Q2VM4FPF
More data for this
Ligand-Target Pair