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PubMed code 18047262

Compile data set for download or QSAR
Found 13 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))
BDBM50228368
PNG
(1,2-dihydro-2-oxoquinazoline-4-carboxy-(4-methoxyp...)
Show SMILES COc1ccc(NC(=O)c2[nH]c(=O)nc3ccccc23)cc1
Show InChI InChI=1S/C16H13N3O3/c1-22-11-8-6-10(7-9-11)17-15(20)14-12-4-2-3-5-13(12)18-16(21)19-14/h2-9H,1H3,(H,17,20)(H,18,19,21)
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PubMed
19.5n/an/an/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Displacement of [125I]ABMECA from human adenosine A3 receptor expressed in CHO cell membranes


J Med Chem 50: 6596-606 (2007)


Article DOI: 10.1021/jm070852a
BindingDB Entry DOI: 10.7270/Q2KD1XPJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50228372
PNG
(2-acetylaminoquinazoline-4-carboxyanilide | CHEMBL...)
Show SMILES CC(=O)Nc1nc(C(=O)Nc2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C17H14N4O2/c1-11(22)18-17-20-14-10-6-5-9-13(14)15(21-17)16(23)19-12-7-3-2-4-8-12/h2-10H,1H3,(H,19,23)(H,18,20,21,22)
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PubMed
25.3n/an/an/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Displacement of [125I]ABMECA from human adenosine A3 receptor expressed in CHO cell membranes


J Med Chem 50: 6596-606 (2007)


Article DOI: 10.1021/jm070852a
BindingDB Entry DOI: 10.7270/Q2KD1XPJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50228373
PNG
(1,2-dihydro-2-oxoquinazoline-4-carboxy-(4-methylph...)
Show SMILES Cc1ccc(NC(=O)c2[nH]c(=O)nc3ccccc23)cc1
Show InChI InChI=1S/C16H13N3O2/c1-10-6-8-11(9-7-10)17-15(20)14-12-4-2-3-5-13(12)18-16(21)19-14/h2-9H,1H3,(H,17,20)(H,18,19,21)
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26.7n/an/an/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Displacement of [125I]ABMECA from human adenosine A3 receptor expressed in CHO cell membranes


J Med Chem 50: 6596-606 (2007)


Article DOI: 10.1021/jm070852a
BindingDB Entry DOI: 10.7270/Q2KD1XPJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50228365
PNG
(1,2-dihydro-2-oxoquinazoline-4-carboxy-(4-bromophe...)
Show SMILES Brc1ccc(NC(=O)c2[nH]c(=O)nc3ccccc23)cc1
Show InChI InChI=1S/C15H10BrN3O2/c16-9-5-7-10(8-6-9)17-14(20)13-11-3-1-2-4-12(11)18-15(21)19-13/h1-8H,(H,17,20)(H,18,19,21)
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27.2n/an/an/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Displacement of [125I]ABMECA from human adenosine A3 receptor expressed in CHO cell membranes


J Med Chem 50: 6596-606 (2007)


Article DOI: 10.1021/jm070852a
BindingDB Entry DOI: 10.7270/Q2KD1XPJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50228374
PNG
(1,2-dihydro-2-oxoquinazoline-4-carboxyanilide | CH...)
Show SMILES O=C(Nc1ccccc1)c1[nH]c(=O)nc2ccccc12
Show InChI InChI=1S/C15H11N3O2/c19-14(16-10-6-2-1-3-7-10)13-11-8-4-5-9-12(11)17-15(20)18-13/h1-9H,(H,16,19)(H,17,18,20)
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PubMed
50n/an/an/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Displacement of [125I]ABMECA from human adenosine A3 receptor expressed in CHO cell membranes


J Med Chem 50: 6596-606 (2007)


Article DOI: 10.1021/jm070852a
BindingDB Entry DOI: 10.7270/Q2KD1XPJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50228367
PNG
(2-aminoquinazoline-4-carboxy-(4-methoxyphenyl)amid...)
Show SMILES COc1ccc(NC(=O)c2nc(N)nc3ccccc23)cc1
Show InChI InChI=1S/C16H14N4O2/c1-22-11-8-6-10(7-9-11)18-15(21)14-12-4-2-3-5-13(12)19-16(17)20-14/h2-9H,1H3,(H,18,21)(H2,17,19,20)
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PubMed
87.5n/an/an/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Displacement of [125I]ABMECA from human adenosine A3 receptor expressed in CHO cell membranes


J Med Chem 50: 6596-606 (2007)


Article DOI: 10.1021/jm070852a
BindingDB Entry DOI: 10.7270/Q2KD1XPJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50228371
PNG
(2-aminoquinazoline-4-carboxy-(4-methylphenyl)amide...)
Show SMILES Cc1ccc(NC(=O)c2nc(N)nc3ccccc23)cc1
Show InChI InChI=1S/C16H14N4O/c1-10-6-8-11(9-7-10)18-15(21)14-12-4-2-3-5-13(12)19-16(17)20-14/h2-9H,1H3,(H,18,21)(H2,17,19,20)
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PubMed
98.3n/an/an/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Displacement of [125I]ABMECA from human adenosine A3 receptor expressed in CHO cell membranes


J Med Chem 50: 6596-606 (2007)


Article DOI: 10.1021/jm070852a
BindingDB Entry DOI: 10.7270/Q2KD1XPJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50228369
PNG
(2-benzoylaminoquinazoline-4-carboxyanilide | CHEMB...)
Show SMILES O=C(Nc1nc(C(=O)Nc2ccccc2)c2ccccc2n1)c1ccccc1
Show InChI InChI=1S/C22H16N4O2/c27-20(15-9-3-1-4-10-15)26-22-24-18-14-8-7-13-17(18)19(25-22)21(28)23-16-11-5-2-6-12-16/h1-14H,(H,23,28)(H,24,25,26,27)
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182n/an/an/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Displacement of [125I]ABMECA from human adenosine A3 receptor expressed in CHO cell membranes


J Med Chem 50: 6596-606 (2007)


Article DOI: 10.1021/jm070852a
BindingDB Entry DOI: 10.7270/Q2KD1XPJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50228370
PNG
(2-aminoquinazoline-4-carboxyanilide | CHEMBL238091)
Show SMILES Nc1nc(C(=O)Nc2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C15H12N4O/c16-15-18-12-9-5-4-8-11(12)13(19-15)14(20)17-10-6-2-1-3-7-10/h1-9H,(H,17,20)(H2,16,18,19)
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350n/an/an/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Displacement of [125I]ABMECA from human adenosine A3 receptor expressed in CHO cell membranes


J Med Chem 50: 6596-606 (2007)


Article DOI: 10.1021/jm070852a
BindingDB Entry DOI: 10.7270/Q2KD1XPJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50228366
PNG
(2-aminoquinazoline-4-carboxy-(4-bromophenyl)amide ...)
Show SMILES Nc1nc(C(=O)Nc2ccc(Br)cc2)c2ccccc2n1
Show InChI InChI=1S/C15H11BrN4O/c16-9-5-7-10(8-6-9)18-14(21)13-11-3-1-2-4-12(11)19-15(17)20-13/h1-8H,(H,18,21)(H2,17,19,20)
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PubMed
550n/an/an/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Displacement of [125I]ABMECA from human adenosine A3 receptor expressed in CHO cell membranes


J Med Chem 50: 6596-606 (2007)


Article DOI: 10.1021/jm070852a
BindingDB Entry DOI: 10.7270/Q2KD1XPJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50228368
PNG
(1,2-dihydro-2-oxoquinazoline-4-carboxy-(4-methoxyp...)
Show SMILES COc1ccc(NC(=O)c2[nH]c(=O)nc3ccccc23)cc1
Show InChI InChI=1S/C16H13N3O3/c1-22-11-8-6-10(7-9-11)17-15(20)14-12-4-2-3-5-13(12)18-16(21)19-14/h2-9H,1H3,(H,17,20)(H,18,19,21)
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n/an/a 125n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Activity at human adenosine A3 receptor expressed in CHO cells assessed as antagonism of Cl-IB-MECA-inhibited cAMP production


J Med Chem 50: 6596-606 (2007)


Article DOI: 10.1021/jm070852a
BindingDB Entry DOI: 10.7270/Q2KD1XPJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50228372
PNG
(2-acetylaminoquinazoline-4-carboxyanilide | CHEMBL...)
Show SMILES CC(=O)Nc1nc(C(=O)Nc2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C17H14N4O2/c1-11(22)18-17-20-14-10-6-5-9-13(14)15(21-17)16(23)19-12-7-3-2-4-8-12/h2-10H,1H3,(H,19,23)(H,18,20,21,22)
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n/an/a 140n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Activity at human adenosine A3 receptor expressed in CHO cells assessed as antagonism of Cl-IB-MECA-inhibited cAMP production


J Med Chem 50: 6596-606 (2007)


Article DOI: 10.1021/jm070852a
BindingDB Entry DOI: 10.7270/Q2KD1XPJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50228374
PNG
(1,2-dihydro-2-oxoquinazoline-4-carboxyanilide | CH...)
Show SMILES O=C(Nc1ccccc1)c1[nH]c(=O)nc2ccccc12
Show InChI InChI=1S/C15H11N3O2/c19-14(16-10-6-2-1-3-7-10)13-11-8-4-5-9-12(11)17-15(20)18-13/h1-9H,(H,16,19)(H,17,18,20)
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n/an/a 238n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Activity at human adenosine A3 receptor expressed in CHO cells assessed as antagonism of Cl-IB-MECA-inhibited cAMP production


J Med Chem 50: 6596-606 (2007)


Article DOI: 10.1021/jm070852a
BindingDB Entry DOI: 10.7270/Q2KD1XPJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%