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PubMed code 16250640

Compile data set for download or QSAR
Found 7 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 A2b


(Homo sapiens (Human))
BDBM50176016
PNG
(2-[5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(F)cc2)nc1
Show InChI InChI=1S/C24H25FN6O4/c1-3-11-30-22-20(23(33)31(12-4-2)24(30)34)28-21(29-22)15-5-10-19(26-13-15)35-14-18(32)27-17-8-6-16(25)7-9-17/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,27,32)(H,28,29)
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Article
PubMed
4.80n/an/an/an/an/an/an/an/a



M. V. Lomonosov Moscow State University

Curated by ChEMBL


Assay Description
Antagonist activity against human Adenosine A2b receptor


J Med Chem 48: 6813-20 (2005)


Article DOI: 10.1021/jm049418o
BindingDB Entry DOI: 10.7270/Q2542N5D
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50176017
PNG
(8-(6-Hydroxy-pyridin-3-yl)-1,3-dipropyl-3,7-dihydr...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(=O)[nH]c1
Show InChI InChI=1S/C16H19N5O3/c1-3-7-20-14-12(15(23)21(8-4-2)16(20)24)18-13(19-14)10-5-6-11(22)17-9-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,22)(H,18,19)
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PubMed
4.90n/an/an/an/an/an/an/an/a



M. V. Lomonosov Moscow State University

Curated by ChEMBL


Assay Description
Antagonist activity against human Adenosine A2b receptor


J Med Chem 48: 6813-20 (2005)


Article DOI: 10.1021/jm049418o
BindingDB Entry DOI: 10.7270/Q2542N5D
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50229885
PNG
(CHEMBL260331 | CHEMBL506685 | N-(benzo[d][1,3]diox...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)nn1C
Show InChI InChI=1S/C24H27N7O6/c1-4-8-30-22-20(23(33)31(9-5-2)24(30)34)26-21(27-22)15-11-19(28-29(15)3)35-12-18(32)25-14-6-7-16-17(10-14)37-13-36-16/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,25,32)(H,26,27)
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PubMed
5.5n/an/an/an/an/an/an/an/a



M. V. Lomonosov Moscow State University

Curated by ChEMBL


Assay Description
Antagonist activity against human Adenosine A2b receptor


J Med Chem 48: 6813-20 (2005)


Article DOI: 10.1021/jm049418o
BindingDB Entry DOI: 10.7270/Q2542N5D
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50021450
PNG
(8-(4-Amino-phenyl)-1,3-dipropyl-3,7-dihydro-purine...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(N)cc1
Show InChI InChI=1S/C17H21N5O2/c1-3-9-21-15-13(16(23)22(10-4-2)17(21)24)19-14(20-15)11-5-7-12(18)8-6-11/h5-8H,3-4,9-10,18H2,1-2H3,(H,19,20)
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9n/an/an/an/an/an/an/an/a



M. V. Lomonosov Moscow State University

Curated by ChEMBL


Assay Description
Antagonist activity against human Adenosine A2b receptor


J Med Chem 48: 6813-20 (2005)


Article DOI: 10.1021/jm049418o
BindingDB Entry DOI: 10.7270/Q2542N5D
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50176015
PNG
(CHEMBL198326 | [5-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(O)=O)no1
Show InChI InChI=1S/C16H19N5O6/c1-3-5-20-14-12(15(24)21(6-4-2)16(20)25)17-13(18-14)9-7-10(19-27-9)26-8-11(22)23/h7H,3-6,8H2,1-2H3,(H,17,18)(H,22,23)
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18n/an/an/an/an/an/an/an/a



M. V. Lomonosov Moscow State University

Curated by ChEMBL


Assay Description
Antagonist activity against human Adenosine A2b receptor


J Med Chem 48: 6813-20 (2005)


Article DOI: 10.1021/jm049418o
BindingDB Entry DOI: 10.7270/Q2542N5D
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50018162
PNG
(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C17H20N4O5S/c1-3-9-20-15-13(16(22)21(10-4-2)17(20)23)18-14(19-15)11-5-7-12(8-6-11)27(24,25)26/h5-8H,3-4,9-10H2,1-2H3,(H,18,19)(H,24,25,26)
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PubMed
250n/an/an/an/an/an/an/an/a



M. V. Lomonosov Moscow State University

Curated by ChEMBL


Assay Description
Antagonist activity against human Adenosine A2b receptor


J Med Chem 48: 6813-20 (2005)


Article DOI: 10.1021/jm049418o
BindingDB Entry DOI: 10.7270/Q2542N5D
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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PubMed
9.07E+3n/an/an/an/an/an/an/an/a



M. V. Lomonosov Moscow State University

Curated by ChEMBL


Assay Description
Antagonist activity against human Adenosine A2b receptor


J Med Chem 48: 6813-20 (2005)


Article DOI: 10.1021/jm049418o
BindingDB Entry DOI: 10.7270/Q2542N5D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%