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Compile Data Set for Download or QSAR

Found 993 hits with Last Name = 'ciancetta' and Initial = 'a'   
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))
BDBM50138568
PNG
(CHEMBL3754229)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1
Show InChI InChI=1S/C23H17N5O2S/c1-30-17-11-9-15(10-12-17)23(29)26-22-20-18(24-21(25-22)19-8-5-13-31-19)14-28(27-20)16-6-3-2-4-7-16/h2-14H,1H3,(H,24,25,26,29)
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0.0270n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method


Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50094037
PNG
(2-Furan-2-yl-7-[3-(4-methoxy-phenyl)-propyl]-7H-py...)
Show SMILES COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24)
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0.0480n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 57: 6210-25 (2014)


Article DOI: 10.1021/jm500752h
BindingDB Entry DOI: 10.7270/Q2FT8NPS
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50055096
PNG
(CHEMBL3317576)
Show SMILES COc1cccc(CCCc2nc(N)c3nn(cc3n2)-c2ccccc2)c1
Show InChI InChI=1S/C21H21N5O/c1-27-17-11-5-7-15(13-17)8-6-12-19-23-18-14-26(16-9-3-2-4-10-16)25-20(18)21(22)24-19/h2-5,7,9-11,13-14H,6,8,12H2,1H3,(H2,22,23,24)
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0.150n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells by scintillation counting analysis


Eur J Med Chem 84: 614-27 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.060
BindingDB Entry DOI: 10.7270/Q2BG2QNH
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50109461
PNG
(1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C18H14N8O2/c1-25-10-12-14(23-25)21-17(22-18(27)19-11-6-3-2-4-7-11)26-16(12)20-15(24-26)13-8-5-9-28-13/h2-10H,1H3,(H2,19,21,22,23,27)
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0.160n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


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


J Med Chem 57: 6210-25 (2014)


Article DOI: 10.1021/jm500752h
BindingDB Entry DOI: 10.7270/Q2FT8NPS
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50109461
PNG
(1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C18H14N8O2/c1-25-10-12-14(23-25)21-17(22-18(27)19-11-6-3-2-4-7-11)26-16(12)20-15(24-26)13-8-5-9-28-13/h2-10H,1H3,(H2,19,21,22,23,27)
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0.160n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008-F20 from human A3 receptor expressed in CHO cells by scintillation counter


Eur J Med Chem 108: 529-41 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.019
BindingDB Entry DOI: 10.7270/Q22R3THM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50055099
PNG
(CHEMBL3317579)
Show SMILES Nc1nc(CCCc2cccc(O)c2)nc2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C20H19N5O/c21-20-19-17(13-25(24-19)15-8-2-1-3-9-15)22-18(23-20)11-5-7-14-6-4-10-16(26)12-14/h1-4,6,8-10,12-13,26H,5,7,11H2,(H2,21,22,23)
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0.220n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells by scintillation counting analysis


Eur J Med Chem 84: 614-27 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.060
BindingDB Entry DOI: 10.7270/Q2BG2QNH
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50399572
PNG
(CHEMBL2180931)
Show SMILES C[C@H](Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1)c1ccccc1
Show InChI InChI=1/C19H17N7O/c1-12(13-7-4-3-5-8-13)20-19-22-16-14(11-25(2)23-16)18-21-17(24-26(18)19)15-9-6-10-27-15/h3-12H,1-2H3,(H,20,22,23)/t12-/s2
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0.300n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane


J Med Chem 55: 9654-68 (2012)


Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50138715
PNG
(CHEMBL3753642)
Show SMILES O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1cccnc1
Show InChI InChI=1S/C21H14N6OS/c28-21(14-6-4-10-22-12-14)25-20-18-16(23-19(24-20)17-9-5-11-29-17)13-27(26-18)15-7-2-1-3-8-15/h1-13H,(H,23,24,25,28)
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0.410n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method


Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50055098
PNG
(CHEMBL3317578)
Show SMILES Nc1nc(CCCc2ccccc2O)nc2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C20H19N5O/c21-20-19-16(13-25(24-19)15-9-2-1-3-10-15)22-18(23-20)12-6-8-14-7-4-5-11-17(14)26/h1-5,7,9-11,13,26H,6,8,12H2,(H2,21,22,23)
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0.540n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells by scintillation counting analysis


Eur J Med Chem 84: 614-27 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.060
BindingDB Entry DOI: 10.7270/Q2BG2QNH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50199469
PNG
(CHEMBL3912578)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(C3CC3)C3CC3)ncnc12
Show InChI InChI=1/C17H23N5O4/c23-5-10-13(24)14(25)17(26-10)22-7-20-12-15(18-6-19-16(12)22)21-11(8-1-2-8)9-3-4-9/h6-11,13-14,17,23-25H,1-5H2,(H,18,19,21)/t10-,13-,14-,17-/s2
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0.800n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]N6-phenylisopropyladenosine from rat A1AR after 60 mins by liquid scintillation counting method


J Med Chem 59: 11006-11026 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01183
BindingDB Entry DOI: 10.7270/Q2DN4709
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50399597
PNG
(CHEMBL2180906)
Show SMILES Cn1cc2c(n1)nc(NC(c1ccccc1)c1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C24H19N7O/c1-30-15-18-21(28-30)27-24(31-23(18)26-22(29-31)19-13-8-14-32-19)25-20(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-15,20H,1H3,(H,25,27,28)
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0.830n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane


J Med Chem 55: 9654-68 (2012)


Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50399570
PNG
(CHEMBL2180933)
Show SMILES Cc1ccc(CNc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C19H17N7O/c1-12-5-7-13(8-6-12)10-20-19-22-16-14(11-25(2)23-16)18-21-17(24-26(18)19)15-4-3-9-27-15/h3-9,11H,10H2,1-2H3,(H,20,22,23)
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1.07n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane


J Med Chem 55: 9654-68 (2012)


Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50094037
PNG
(2-Furan-2-yl-7-[3-(4-methoxy-phenyl)-propyl]-7H-py...)
Show SMILES COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24)
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1.10n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells


J Med Chem 57: 6210-25 (2014)


Article DOI: 10.1021/jm500752h
BindingDB Entry DOI: 10.7270/Q2FT8NPS
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50137528
PNG
(CHEMBL3752514)
Show SMILES Nc1nc(NCc2ccccc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C15H13N7O/c16-13-19-14(17-9-10-5-2-1-3-6-10)20-15-18-12(21-22(13)15)11-7-4-8-23-11/h1-8H,9H2,(H3,16,17,18,19,20,21)
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1.10n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human A2A adenosine receptor expressed in CHO cell membranes


Eur J Med Chem 108: 529-41 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.019
BindingDB Entry DOI: 10.7270/Q22R3THM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50138719
PNG
(CHEMBL3753544)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccc(OC)cc1
Show InChI InChI=1S/C26H21N5O3/c1-33-20-12-8-17(9-13-20)24-27-22-16-31(19-6-4-3-5-7-19)30-23(22)25(28-24)29-26(32)18-10-14-21(34-2)15-11-18/h3-16H,1-2H3,(H,27,28,29,32)
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1.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method


Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50055095
PNG
(CHEMBL3317575)
Show SMILES COc1ccccc1CCCc1nc(N)c2nn(cc2n1)-c1ccccc1
Show InChI InChI=1S/C21H21N5O/c1-27-18-12-6-5-8-15(18)9-7-13-19-23-17-14-26(16-10-3-2-4-11-16)25-20(17)21(22)24-19/h2-6,8,10-12,14H,7,9,13H2,1H3,(H2,22,23,24)
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1.30n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells by scintillation counting analysis


Eur J Med Chem 84: 614-27 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.060
BindingDB Entry DOI: 10.7270/Q2BG2QNH
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50137521
PNG
(CHEMBL3752621)
Show SMILES O=C(Nc1ccccc1)Nc1nc(NCc2ccccc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H18N8O2/c31-22(24-16-10-5-2-6-11-16)28-21-27-19(23-14-15-8-3-1-4-9-15)26-20-25-18(29-30(20)21)17-12-7-13-32-17/h1-13H,14H2,(H3,23,24,25,26,27,28,29,31)
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1.40n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human A2A adenosine receptor expressed in CHO cell membranes


Eur J Med Chem 108: 529-41 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.019
BindingDB Entry DOI: 10.7270/Q22R3THM
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50199462
PNG
(CHEMBL3955519)
Show SMILES CCOC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12
Show InChI InChI=1/C21H26ClN5O4/c1-2-31-19(30)21-7-11(21)14(15(28)16(21)29)27-8-23-13-17(25-20(22)26-18(13)27)24-12(9-3-4-9)10-5-6-10/h8-12,14-16,28-29H,2-7H2,1H3,(H,24,25,26)/t11-,14-,15+,16+,21+/s2
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1.80n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT2BR expressed in Flp-In HEK cells assessed as inhibition of 5-HT-induced calcium mobilization preincubated for 5 to ...


J Med Chem 59: 11006-11026 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01183
BindingDB Entry DOI: 10.7270/Q2DN4709
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50138721
PNG
(CHEMBL3753976)
Show SMILES O=C(N(C(=O)c1ccco1)c1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1ccco1
Show InChI InChI=1S/C25H15N5O4S/c31-24(18-9-4-12-33-18)30(25(32)19-10-5-13-34-19)23-21-17(26-22(27-23)20-11-6-14-35-20)15-29(28-21)16-7-2-1-3-8-16/h1-15H
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1.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method


Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50399568
PNG
(CHEMBL2180935)
Show SMILES Cn1cc2c(n1)nc(NCc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C18H14ClN7O/c1-25-10-13-15(23-25)22-18(20-9-11-4-6-12(19)7-5-11)26-17(13)21-16(24-26)14-3-2-8-27-14/h2-8,10H,9H2,1H3,(H,20,22,23)
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1.99n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane


J Med Chem 55: 9654-68 (2012)


Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50138498
PNG
(CHEMBL3752840)
Show SMILES O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1ccccc1
Show InChI InChI=1S/C22H15N5OS/c28-22(15-8-3-1-4-9-15)25-21-19-17(23-20(24-21)18-12-7-13-29-18)14-27(26-19)16-10-5-2-6-11-16/h1-14H,(H,23,24,25,28)
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2.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method


Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50138713
PNG
(CHEMBL3751978)
Show SMILES O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1ccco1
Show InChI InChI=1S/C20H13N5O2S/c26-20(15-8-4-10-27-15)23-19-17-14(21-18(22-19)16-9-5-11-28-16)12-25(24-17)13-6-2-1-3-7-13/h1-12H,(H,21,22,23,26)
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2.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method


Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50427598
PNG
(CHEMBL2322924)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(C)nc2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C20H17N5O2/c1-13-21-17-12-25(15-6-4-3-5-7-15)24-18(17)19(22-13)23-20(26)14-8-10-16(27-2)11-9-14/h3-12H,1-2H3,(H,21,22,23,26)
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2.40n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


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


J Med Chem 56: 2256-69 (2013)


Article DOI: 10.1021/jm400068e
BindingDB Entry DOI: 10.7270/Q29K4CKZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50138714
PNG
(CHEMBL3752862)
Show SMILES O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1)c1cccs1
Show InChI InChI=1S/C20H13N5OS2/c26-20(16-9-5-11-28-16)23-19-17-14(21-18(22-19)15-8-4-10-27-15)12-25(24-17)13-6-2-1-3-7-13/h1-12H,(H,21,22,23,26)
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2.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method


Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50399573
PNG
(CHEMBL2180930)
Show SMILES Cn1cc2c(n1)nc(NCc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C18H15N7O/c1-24-11-13-15(22-24)21-18(19-10-12-6-3-2-4-7-12)25-17(13)20-16(23-25)14-8-5-9-26-14/h2-9,11H,10H2,1H3,(H,19,21,22)
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2.49n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane


J Med Chem 55: 9654-68 (2012)


Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50009525
PNG
(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/s2
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2.80n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]N6-phenylisopropyladenosine from recombinant human A1AR expressed in CHO cell membranes after 60 mins by liquid scintillation cou...


J Med Chem 59: 11006-11026 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01183
BindingDB Entry DOI: 10.7270/Q2DN4709
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50094701
PNG
(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES Cn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C11H9N7O/c1-17-5-6-8(15-17)14-11(12)18-10(6)13-9(16-18)7-3-2-4-19-7/h2-5H,1H3,(H2,12,14,15)
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2.80n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH58261 from human A2A receptor expressed in CHO cells by scintillation counter


Eur J Med Chem 108: 529-41 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.019
BindingDB Entry DOI: 10.7270/Q22R3THM
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50199455
PNG
(CHEMBL3970041)
Show SMILES COC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12
Show InChI InChI=1/C20H24ClN5O4/c1-30-18(29)20-6-10(20)13(14(27)15(20)28)26-7-22-12-16(24-19(21)25-17(12)26)23-11(8-2-3-8)9-4-5-9/h7-11,13-15,27-28H,2-6H2,1H3,(H,23,24,25)/t10-,13-,14+,15+,20+/s2
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3.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT2BR expressed in Flp-In HEK cells assessed as inhibition of 5-HT-induced calcium mobilization preincubated for 5 to ...


J Med Chem 59: 11006-11026 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01183
BindingDB Entry DOI: 10.7270/Q2DN4709
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50427591
PNG
(CHEMBL2322900)
Show SMILES O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C23H16N6O/c30-23(17-10-7-13-24-14-17)27-22-20-19(15-29(28-20)18-11-5-2-6-12-18)25-21(26-22)16-8-3-1-4-9-16/h1-15H,(H,25,26,27,30)
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3.20n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


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


J Med Chem 56: 2256-69 (2013)


Article DOI: 10.1021/jm400068e
BindingDB Entry DOI: 10.7270/Q29K4CKZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50047991
PNG
(CHEMBL3314888)
Show SMILES CCNc1ncc(C(=O)OCC)c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C14H15N5O3/c1-3-15-14-16-8-9(13(20)21-4-2)12-17-11(18-19(12)14)10-6-5-7-22-10/h5-8H,3-4H2,1-2H3,(H,15,16)
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3.30n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


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


J Med Chem 57: 6210-25 (2014)


Article DOI: 10.1021/jm500752h
BindingDB Entry DOI: 10.7270/Q2FT8NPS
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50047979
PNG
(CHEMBL3314876)
Show SMILES CCOC(=O)c1cnc(N)n2nc(nc12)-c1ccco1
Show InChI InChI=1S/C12H11N5O3/c1-2-19-11(18)7-6-14-12(13)17-10(7)15-9(16-17)8-4-3-5-20-8/h3-6H,2H2,1H3,(H2,13,14)
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3.30n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 57: 6210-25 (2014)


Article DOI: 10.1021/jm500752h
BindingDB Entry DOI: 10.7270/Q2FT8NPS
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50138635
PNG
(CHEMBL3754475)
Show SMILES O=C(Cc1ccccc1)Nc1nc(nc2cn(nc12)-c1ccccc1)-c1cccs1
Show InChI InChI=1S/C23H17N5OS/c29-20(14-16-8-3-1-4-9-16)25-23-21-18(24-22(26-23)19-12-7-13-30-19)15-28(27-21)17-10-5-2-6-11-17/h1-13,15H,14H2,(H,24,25,26,29)
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3.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method


Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50137527
PNG
(CHEMBL3752431)
Show SMILES Nc1nc(NC2CCCCC2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C14H17N7O/c15-12-18-13(16-9-5-2-1-3-6-9)19-14-17-11(20-21(12)14)10-7-4-8-22-10/h4,7-9H,1-3,5-6H2,(H3,15,16,17,18,19,20)
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3.60n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human A2A adenosine receptor expressed in CHO cell membranes


Eur J Med Chem 108: 529-41 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.019
BindingDB Entry DOI: 10.7270/Q22R3THM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50399571
PNG
(CHEMBL2180932)
Show SMILES C[C@@H](Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1)c1ccccc1
Show InChI InChI=1/C19H17N7O/c1-12(13-7-4-3-5-8-13)20-19-22-16-14(11-25(2)23-16)18-21-17(24-26(18)19)15-9-6-10-27-15/h3-12H,1-2H3,(H,20,22,23)/t12-/s2
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3.71n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane


J Med Chem 55: 9654-68 (2012)


Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50399584
PNG
(CHEMBL2181156)
Show SMILES CCCCC(CC)CNc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1/C19H25N7O/c1-4-6-8-13(5-2)11-20-19-22-16-14(12-25(3)23-16)18-21-17(24-26(18)19)15-9-7-10-27-15/h7,9-10,12-13H,4-6,8,11H2,1-3H3,(H,20,22,23)
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3.82n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane


J Med Chem 55: 9654-68 (2012)


Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50199462
PNG
(CHEMBL3955519)
Show SMILES CCOC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12
Show InChI InChI=1/C21H26ClN5O4/c1-2-31-19(30)21-7-11(21)14(15(28)16(21)29)27-8-23-13-17(25-20(22)26-18(13)27)24-12(9-3-4-9)10-5-6-10/h8-12,14-16,28-29H,2-7H2,1H3,(H,24,25,26)/t11-,14-,15+,16+,21+/s2
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3.90n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT2CR expressed in Flp-In HEK cells assessed as inhibition of serotonin induced calcium mobilization preincubated for ...


J Med Chem 59: 11006-11026 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01183
BindingDB Entry DOI: 10.7270/Q2DN4709
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50199455
PNG
(CHEMBL3970041)
Show SMILES COC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12
Show InChI InChI=1/C20H24ClN5O4/c1-30-18(29)20-6-10(20)13(14(27)15(20)28)26-7-22-12-16(24-19(21)25-17(12)26)23-11(8-2-3-8)9-4-5-9/h7-11,13-15,27-28H,2-6H2,1H3,(H,23,24,25)/t10-,13-,14+,15+,20+/s2
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4.10n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT2CR expressed in Flp-In HEK cells assessed as inhibition of serotonin induced calcium mobilization preincubated for ...


J Med Chem 59: 11006-11026 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01183
BindingDB Entry DOI: 10.7270/Q2DN4709
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50047990
PNG
(CHEMBL3314887)
Show SMILES CCOC(=O)c1cnc(NC)n2nc(nc12)-c1ccco1
Show InChI InChI=1S/C13H13N5O3/c1-3-20-12(19)8-7-15-13(14-2)18-11(8)16-10(17-18)9-5-4-6-21-9/h4-7H,3H2,1-2H3,(H,14,15)
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4.10n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


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


J Med Chem 57: 6210-25 (2014)


Article DOI: 10.1021/jm500752h
BindingDB Entry DOI: 10.7270/Q2FT8NPS
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50199463
PNG
(CHEMBL3976121)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12
Show InChI InChI=1/C20H25ClN6O3/c1-22-18(30)20-6-10(20)13(14(28)15(20)29)27-7-23-12-16(25-19(21)26-17(12)27)24-11(8-2-3-8)9-4-5-9/h7-11,13-15,28-29H,2-6H2,1H3,(H,22,30)(H,24,25,26)/t10-,13-,14+,15+,20+/s2
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4.40n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT2BR expressed in Flp-In HEK cells assessed as inhibition of 5-HT-induced calcium mobilization preincubated for 5 to ...


J Med Chem 59: 11006-11026 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01183
BindingDB Entry DOI: 10.7270/Q2DN4709
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50047986
PNG
(CHEMBL3314883)
Show SMILES CCOC(=O)c1cnc(NC(=O)Nc2ccccc2)n2nc(nc12)-c1ccco1
Show InChI InChI=1S/C19H16N6O4/c1-2-28-17(26)13-11-20-18(23-19(27)21-12-7-4-3-5-8-12)25-16(13)22-15(24-25)14-9-6-10-29-14/h3-11H,2H2,1H3,(H2,20,21,23,27)
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4.80n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 57: 6210-25 (2014)


Article DOI: 10.1021/jm500752h
BindingDB Entry DOI: 10.7270/Q2FT8NPS
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50399567
PNG
(CHEMBL2180936)
Show SMILES Cn1cc2c(n1)nc(NCc1ccc(F)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C18H14FN7O/c1-25-10-13-15(23-25)22-18(20-9-11-4-6-12(19)7-5-11)26-17(13)21-16(24-26)14-3-2-8-27-14/h2-8,10H,9H2,1H3,(H,20,22,23)
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4.93n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane


J Med Chem 55: 9654-68 (2012)


Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50427594
PNG
(CHEMBL2322928)
Show SMILES Cc1nc(NC(=O)c2ccncc2)c2nn(cc2n1)-c1ccccc1
Show InChI InChI=1S/C18H14N6O/c1-12-20-15-11-24(14-5-3-2-4-6-14)23-16(15)17(21-12)22-18(25)13-7-9-19-10-8-13/h2-11H,1H3,(H,20,21,22,25)
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5.20n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


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


J Med Chem 56: 2256-69 (2013)


Article DOI: 10.1021/jm400068e
BindingDB Entry DOI: 10.7270/Q29K4CKZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50399588
PNG
(CHEMBL2181152)
Show SMILES CC[C@@H](C)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1/C15H17N7O/c1-4-9(2)16-15-18-12-10(8-21(3)19-12)14-17-13(20-22(14)15)11-6-5-7-23-11/h5-9H,4H2,1-3H3,(H,16,18,19)/t9-/s2
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5.23n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane


J Med Chem 55: 9654-68 (2012)


Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50055094
PNG
(CHEMBL3317574)
Show SMILES Nc1nc(CCCc2ccccc2)nc2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C20H19N5/c21-20-19-17(14-25(24-19)16-11-5-2-6-12-16)22-18(23-20)13-7-10-15-8-3-1-4-9-15/h1-6,8-9,11-12,14H,7,10,13H2,(H2,21,22,23)
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5.30n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells by scintillation counting analysis


Eur J Med Chem 84: 614-27 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.060
BindingDB Entry DOI: 10.7270/Q2BG2QNH
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50427595
PNG
(CHEMBL2322927)
Show SMILES Cc1nc(NC(=O)c2cccnc2)c2nn(cc2n1)-c1ccccc1
Show InChI InChI=1S/C18H14N6O/c1-12-20-15-11-24(14-7-3-2-4-8-14)23-16(15)17(21-12)22-18(25)13-6-5-9-19-10-13/h2-11H,1H3,(H,20,21,22,25)
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5.30n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


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


J Med Chem 56: 2256-69 (2013)


Article DOI: 10.1021/jm400068e
BindingDB Entry DOI: 10.7270/Q29K4CKZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50137530
PNG
(CHEMBL3753079)
Show SMILES O=C(Cc1ccccc1)Nc1nc(NCc2ccccc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C23H19N7O2/c31-19(14-16-8-3-1-4-9-16)25-22-27-21(24-15-17-10-5-2-6-11-17)28-23-26-20(29-30(22)23)18-12-7-13-32-18/h1-13H,14-15H2,(H2,24,25,26,27,28,29,31)
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5.40n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human A2A adenosine receptor expressed in CHO cell membranes


Eur J Med Chem 108: 529-41 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.019
BindingDB Entry DOI: 10.7270/Q22R3THM
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50427583
PNG
(CHEMBL2322923)
Show SMILES Cc1nc(NC(=O)c2ccccc2)c2nn(cc2n1)-c1ccccc1
Show InChI InChI=1S/C19H15N5O/c1-13-20-16-12-24(15-10-6-3-7-11-15)23-17(16)18(21-13)22-19(25)14-8-4-2-5-9-14/h2-12H,1H3,(H,20,21,22,25)
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5.60n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


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


J Med Chem 56: 2256-69 (2013)


Article DOI: 10.1021/jm400068e
BindingDB Entry DOI: 10.7270/Q29K4CKZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50047980
PNG
(CHEMBL3314877)
Show SMILES CNC(=O)c1cnc(NC(=O)Nc2ccccc2)n2nc(nc12)-c1ccco1
Show InChI InChI=1S/C18H15N7O3/c1-19-16(26)12-10-20-17(23-18(27)21-11-6-3-2-4-7-11)25-15(12)22-14(24-25)13-8-5-9-28-13/h2-10H,1H3,(H,19,26)(H2,20,21,23,27)
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5.80n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


J Med Chem 57: 6210-25 (2014)


Article DOI: 10.1021/jm500752h
BindingDB Entry DOI: 10.7270/Q2FT8NPS
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50138497
PNG
(CHEMBL3754500)
Show SMILES O=C(Nc1nc(nc2cn(nc12)-c1ccccc1)-c1ccccc1)c1cccs1
Show InChI InChI=1S/C22H15N5OS/c28-22(18-12-7-13-29-18)25-21-19-17(14-27(26-19)16-10-5-2-6-11-16)23-20(24-21)15-8-3-1-4-9-15/h1-14H,(H,23,24,25,28)
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5.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method


Eur J Med Chem 108: 117-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.015
BindingDB Entry DOI: 10.7270/Q2NK3GWZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50399588
PNG
(CHEMBL2181152)
Show SMILES CC[C@@H](C)Nc1nc2nn(C)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1/C15H17N7O/c1-4-9(2)16-15-18-12-10(8-21(3)19-12)14-17-13(20-22(14)15)11-6-5-7-23-11/h5-9H,4H2,1-3H3,(H,16,18,19)/t9-/s2
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5.93n/an/an/an/an/an/an/an/a



Universit£ di Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane


J Med Chem 55: 9654-68 (2012)


Article DOI: 10.1021/jm300899q
BindingDB Entry DOI: 10.7270/Q2348MJK
More data for this
Ligand-Target Pair
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