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PubMed code 25874336

Compile data set for download or QSAR
Found 16 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))
BDBM50079877
PNG
(CHEMBL3415025)
Show SMILES Cc1nc2sc(nc2c(=O)[nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H8ClN3OS/c1-6-14-10(17)9-12(15-6)18-11(16-9)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,14,15,17)
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18n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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


Eur J Med Chem 96: 105-21 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.010
BindingDB Entry DOI: 10.7270/Q2V126HP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50079876
PNG
(CHEMBL3415024)
Show SMILES Cc1ccc(cc1)-c1nc2c(nc(C)[nH]c2=O)s1
Show InChI InChI=1S/C13H11N3OS/c1-7-3-5-9(6-4-7)12-16-10-11(17)14-8(2)15-13(10)18-12/h3-6H,1-2H3,(H,14,15,17)
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33n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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


Eur J Med Chem 96: 105-21 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.010
BindingDB Entry DOI: 10.7270/Q2V126HP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50079875
PNG
(CHEMBL3415023)
Show SMILES COc1ccc(cc1)-c1nc2c(nc(C)[nH]c2=O)s1
Show InChI InChI=1S/C13H11N3O2S/c1-7-14-11(17)10-13(15-7)19-12(16-10)8-3-5-9(18-2)6-4-8/h3-6H,1-2H3,(H,14,15,17)
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38n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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


Eur J Med Chem 96: 105-21 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.010
BindingDB Entry DOI: 10.7270/Q2V126HP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50079874
PNG
(CHEMBL3415022)
Show SMILES Cc1nc2sc(nc2c(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C12H9N3OS/c1-7-13-10(16)9-12(14-7)17-11(15-9)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14,16)
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85n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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


Eur J Med Chem 96: 105-21 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.010
BindingDB Entry DOI: 10.7270/Q2V126HP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50079878
PNG
(CHEMBL3415026)
Show SMILES Cc1nc2sc(nc2c(=O)[nH]1)-c1ccc(F)cc1
Show InChI InChI=1S/C12H8FN3OS/c1-6-14-10(17)9-12(15-6)18-11(16-9)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,14,15,17)
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107n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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


Eur J Med Chem 96: 105-21 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.010
BindingDB Entry DOI: 10.7270/Q2V126HP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50079883
PNG
(CHEMBL3415033)
Show SMILES Cc1nc2sc(nc2c(=O)[nH]1)-c1cccc(F)c1
Show InChI InChI=1S/C12H8FN3OS/c1-6-14-10(17)9-12(15-6)18-11(16-9)7-3-2-4-8(13)5-7/h2-5H,1H3,(H,14,15,17)
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109n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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


Eur J Med Chem 96: 105-21 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.010
BindingDB Entry DOI: 10.7270/Q2V126HP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50079801
PNG
(CHEMBL3415054)
Show SMILES CCOc1nc(C)nc2sc(Nc3cccc(OC)c3)nc12
Show InChI InChI=1S/C15H16N4O2S/c1-4-21-13-12-14(17-9(2)16-13)22-15(19-12)18-10-6-5-7-11(8-10)20-3/h5-8H,4H2,1-3H3,(H,18,19)
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110n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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


Eur J Med Chem 96: 105-21 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.010
BindingDB Entry DOI: 10.7270/Q2V126HP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50079888
PNG
(CHEMBL3415046)
Show SMILES COc1cccc(Nc2nc3c(nc(C)[nH]c3=O)s2)c1
Show InChI InChI=1S/C13H12N4O2S/c1-7-14-11(18)10-12(15-7)20-13(17-10)16-8-4-3-5-9(6-8)19-2/h3-6H,1-2H3,(H,16,17)(H,14,15,18)
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113n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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


Eur J Med Chem 96: 105-21 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.010
BindingDB Entry DOI: 10.7270/Q2V126HP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50079887
PNG
(CHEMBL3415040)
Show SMILES Cc1nc2sc(nc2c(=O)[nH]1)-n1cccc1
Show InChI InChI=1S/C10H8N4OS/c1-6-11-8(15)7-9(12-6)16-10(13-7)14-4-2-3-5-14/h2-5H,1H3,(H,11,12,15)
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227n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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


Eur J Med Chem 96: 105-21 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.010
BindingDB Entry DOI: 10.7270/Q2V126HP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50079886
PNG
(CHEMBL3415039)
Show SMILES Cc1nc2sc(nc2c(=O)[nH]1)-c1cccs1
Show InChI InChI=1S/C10H7N3OS2/c1-5-11-8(14)7-10(12-5)16-9(13-7)6-3-2-4-15-6/h2-4H,1H3,(H,11,12,14)
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248n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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


Eur J Med Chem 96: 105-21 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.010
BindingDB Entry DOI: 10.7270/Q2V126HP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50079879
PNG
(CHEMBL3415031)
Show SMILES Cc1cccc(c1)-c1nc2c(nc(C)[nH]c2=O)s1
Show InChI InChI=1S/C13H11N3OS/c1-7-4-3-5-9(6-7)12-16-10-11(17)14-8(2)15-13(10)18-12/h3-6H,1-2H3,(H,14,15,17)
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384n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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


Eur J Med Chem 96: 105-21 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.010
BindingDB Entry DOI: 10.7270/Q2V126HP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50079885
PNG
(CHEMBL3415035)
Show SMILES Cc1nc2sc(Cc3ccccc3)nc2c(=O)[nH]1
Show InChI InChI=1S/C13H11N3OS/c1-8-14-12(17)11-13(15-8)18-10(16-11)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,15,17)
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427n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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


Eur J Med Chem 96: 105-21 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.010
BindingDB Entry DOI: 10.7270/Q2V126HP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50079796
PNG
(CHEMBL3415047)
Show SMILES Cc1cccc(Nc2nc3c(nc(C)[nH]c3=O)s2)c1
Show InChI InChI=1S/C13H12N4OS/c1-7-4-3-5-9(6-7)16-13-17-10-11(18)14-8(2)15-12(10)19-13/h3-6H,1-2H3,(H,16,17)(H,14,15,18)
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450n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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


Eur J Med Chem 96: 105-21 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.010
BindingDB Entry DOI: 10.7270/Q2V126HP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50079880
PNG
(CHEMBL3415032)
Show SMILES Cc1nc2sc(nc2c(=O)[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C12H8ClN3OS/c1-6-14-10(17)9-12(15-6)18-11(16-9)7-3-2-4-8(13)5-7/h2-5H,1H3,(H,14,15,17)
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826n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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


Eur J Med Chem 96: 105-21 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.010
BindingDB Entry DOI: 10.7270/Q2V126HP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50079877
PNG
(CHEMBL3415025)
Show SMILES Cc1nc2sc(nc2c(=O)[nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H8ClN3OS/c1-6-14-10(17)9-12(15-6)18-11(16-9)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,14,15,17)
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n/an/a 42n/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity against human adenosine A3 receptor expressed in CHO cells assessed as blockade of Cl-IB-MECA-induced inhibition of forskolin-ind...


Eur J Med Chem 96: 105-21 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.010
BindingDB Entry DOI: 10.7270/Q2V126HP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50079874
PNG
(CHEMBL3415022)
Show SMILES Cc1nc2sc(nc2c(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C12H9N3OS/c1-7-13-10(16)9-12(14-7)17-11(15-9)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14,16)
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n/an/a 221n/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity against human adenosine A3 receptor expressed in CHO cells assessed as blockade of Cl-IB-MECA-induced inhibition of forskolin-ind...


Eur J Med Chem 96: 105-21 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.010
BindingDB Entry DOI: 10.7270/Q2V126HP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%