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Compile Data Set for Download or QSAR

Found 7 hits of Enz. Inhib. data with enzyme = 'Adenosine receptor A2b' and Substrate = 'BDBM10852'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM35836
PNG
(pyrimidine-4-carboxamide, 118)
Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ncc[nH]1
Show InChI InChI=1S/C14H14N6O2/c1-8-2-3-11(22-8)9-6-10(20-14(15)19-9)13(21)18-7-12-16-4-5-17-12/h2-6H,7H2,1H3,(H,16,17)(H,18,21)(H2,15,19,20)
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Article
PubMed
798n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM35786
PNG
(pyrimidine-4-carboxamide, 27)
Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1
Show InChI InChI=1S/C16H15N5O2/c1-10-5-6-14(23-10)12-8-13(21-16(17)20-12)15(22)19-9-11-4-2-3-7-18-11/h2-8H,9H2,1H3,(H,19,22)(H2,17,20,21)
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Article
PubMed
1.09E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM35837
PNG
(pyrimidine-4-carboxamide, 119)
Show SMILES CCn1ccnc1CNC(=O)c1cc(nc(N)n1)-c1ccc(C)o1
Show InChI InChI=1S/C16H18N6O2/c1-3-22-7-6-18-14(22)9-19-15(23)12-8-11(20-16(17)21-12)13-5-4-10(2)24-13/h4-8H,3,9H2,1-2H3,(H,19,23)(H2,17,20,21)
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PubMed
1.30E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM35839
PNG
(pyrimidine-4-carboxamide, 121)
Show SMILES CC(C)n1ccnc1CNC(=O)c1cc(nc(N)n1)-c1ccc(C)o1
Show InChI InChI=1S/C17H20N6O2/c1-10(2)23-7-6-19-15(23)9-20-16(24)13-8-12(21-17(18)22-13)14-5-4-11(3)25-14/h4-8,10H,9H2,1-3H3,(H,20,24)(H2,18,21,22)
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PubMed
1.84E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM35833
PNG
(pyrimidine-4-carboxamide, 115)
Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cccn1C
Show InChI InChI=1S/C16H17N5O2/c1-10-5-6-14(23-10)12-8-13(20-16(17)19-12)15(22)18-9-11-4-3-7-21(11)2/h3-8H,9H2,1-2H3,(H,18,22)(H2,17,19,20)
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Article
PubMed
2.47E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM35829
PNG
(pyrimidine-4-carboxamide, 111)
Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cccc(C)n1
Show InChI InChI=1S/C17H17N5O2/c1-10-4-3-5-12(20-10)9-19-16(23)14-8-13(21-17(18)22-14)15-7-6-11(2)24-15/h3-8H,9H2,1-2H3,(H,19,23)(H2,18,21,22)
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Article
PubMed
3.19E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM35834
PNG
(pyrimidine-4-carboxamide, 116)
Show SMILES Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccc[nH]1
Show InChI InChI=1S/C15H15N5O2/c1-9-4-5-13(22-9)11-7-12(20-15(16)19-11)14(21)18-8-10-3-2-6-17-10/h2-7,17H,8H2,1H3,(H,18,21)(H2,16,19,20)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd



Assay Description
Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2...


Bioorg Med Chem 17: 6590-605 (2009)


Article DOI: 10.1016/j.bmc.2009.07.078
BindingDB Entry DOI: 10.7270/Q27M069H
More data for this
Ligand-Target Pair