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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Adenosine A2b receptor'   
Target
(Institution)
LigandTarget
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 A2b receptor


(Mus musculus)
BDBM50211685
PNG
(4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-am...)
Show SMILES N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
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n/an/a 349n/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Activity at mouse A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced intracellular cAMP levels by ELISA


J Med Chem 50: 2732-6 (2007)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A2b receptor


(Mus musculus)
BDBM50336977
PNG
(CHEMBL1672627 | N-[5-(3-Fluoropyridin-4-yl)-6-pyri...)
Show SMILES Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1cccnc1
Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-7-5-13(14)17-16(12-2-1-6-20-8-12)23-15(10-22-17)24-18(25)11-3-4-11/h1-2,5-11H,3-4H2,(H,23,24,25)
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n/an/a 512n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at mouse adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced increase of intracellular cAMP leve...


ACS Med Chem Lett 2: 213-218 (2011)

More data for this
Ligand-Target Pair
Adenosine A2b receptor


(Mus musculus)
BDBM50211685
PNG
(4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-am...)
Show SMILES N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
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n/an/a 640n/an/an/an/an/an/a



Almirall

Curated by ChEMBL


Assay Description
Inhibition of NECA-induced IL6 production in Swiss mouse fibroblasts after 24 hrs by ELISA


J Med Chem 50: 2732-6 (2007)

Checked by Author
More data for this
Ligand-Target Pair
Adenosine A2b receptor


(Mus musculus)
BDBM50086170
PNG
((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)
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3.39n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity to mouse adenosine A2B receptor


J Med Chem 52: 3994-4006 (2009)

More data for this
Ligand-Target Pair
Adenosine A2b receptor


(Mus musculus)
BDBM50116458
PNG
(1-Methyl-2-phenyl-1,4,6,7-tetrahydro-1,3,4,5a,8-pe...)
Show SMILES Cn1c(nc2NC(=O)N3CCN=C3c12)-c1ccccc1
Show InChI InChI=1S/C14H13N5O/c1-18-10-11(16-12(18)9-5-3-2-4-6-9)17-14(20)19-8-7-15-13(10)19/h2-6H,7-8H2,1H3,(H,17,20)
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7.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition against A2B-Adenosine Receptor in mouse NIH 3T3 fibroblast cell membranes (functional antagonist activity)


J Med Chem 45: 3440-50 (2002)

More data for this
Ligand-Target Pair
Adenosine A2b receptor


(Mus musculus)
BDBM50268232
PNG
(8-(4-(4-(4-Chlorophenyl)piperazine-1-sulfonyl)phen...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H25ClN6O4S/c1-2-11-31-23(32)20-22(28-24(31)33)27-21(26-20)16-3-9-19(10-4-16)36(34,35)30-14-12-29(13-15-30)18-7-5-17(25)6-8-18/h3-10H,2,11-15H2,1H3,(H,26,27)(H,28,33)
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n/an/an/a 0.351n/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from mouse recombinant adenosine A2B receptor expressed in CHO cells


J Med Chem 52: 3994-4006 (2009)

More data for this
Ligand-Target Pair