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135 similar compounds to monomer 50183517

Compile data set for download or QSAR
Wt: 418.4
BDBM50082418
Wt: 508.5
BDBM50082419
Wt: 512.9
BDBM50082420
Wt: 494.5
BDBM50082421
Wt: 422.8
BDBM50082425
Wt: 498.9
BDBM50082426
Wt: 430.4
BDBM50085371
Wt: 460.4
BDBM50094679
Wt: 464.9
BDBM50094680
Wt: 394.7
BDBM50094683
Wt: 462.8
BDBM50094685
Wt: 446.4
BDBM50094686
Wt: 446.4
BDBM50094687
Wt: 450.8
BDBM50094689
Wt: 408.8
BDBM50094690
Displayed 1 to 15 (of 130 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 196 hits for monomerid = 50082418,50082419,50082420,50082421,50082425,50082426,50085371,50094679,50094680,50094683,50094685,50094686,50094687,50094689,50094690   
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 A3


(Homo sapiens (Human))
BDBM50082418
PNG
(1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4...)
Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C20H18N8O3/c1-3-27-11-14-16(25-27)23-19(24-20(29)21-12-6-8-13(30-2)9-7-12)28-18(14)22-17(26-28)15-5-4-10-31-15/h4-11H,3H2,1-2H3,(H2,21,23,24,25,29)
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0.280n/an/an/an/an/an/an/an/a



Università di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against human Adenosine A3 receptor in CHO cells


Bioorg Med Chem Lett 10: 209-11 (2000)


Article DOI: 10.1016/s0960-894x(99)00674-5
BindingDB Entry DOI: 10.7270/Q2QV3KQB
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50082418
PNG
(1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4...)
Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C20H18N8O3/c1-3-27-11-14-16(25-27)23-19(24-20(29)21-12-6-8-13(30-2)9-7-12)28-18(14)22-17(26-28)15-5-4-10-31-15/h4-11H,3H2,1-2H3,(H2,21,23,24,25,29)
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0.280n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125]AB-MECA from human Adenosine A3 receptor expressed in HEK-293 cells


J Med Chem 42: 4473-8 (1999)


Article DOI: 10.1021/jm991114s
BindingDB Entry DOI: 10.7270/Q26972RX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094687
PNG
(1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C22H22N8O3/c1-3-4-11-29-13-16-18(27-29)25-21(26-22(31)23-14-7-9-15(32-2)10-8-14)30-20(16)24-19(28-30)17-6-5-12-33-17/h5-10,12-13H,3-4,11H2,1-2H3,(H2,23,25,26,27,31)
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0.320n/an/an/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A3 receptor


J Med Chem 48: 152-62 (2005)


Article DOI: 10.1021/jm049662f
BindingDB Entry DOI: 10.7270/Q2183609
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094687
PNG
(1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C22H22N8O3/c1-3-4-11-29-13-16-18(27-29)25-21(26-22(31)23-14-7-9-15(32-2)10-8-14)30-20(16)24-19(28-30)17-6-5-12-33-17/h5-10,12-13H,3-4,11H2,1-2H3,(H2,23,25,26,27,31)
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0.320n/an/an/an/an/an/an/an/a



Universit£ di Padova

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 17: 5259-74 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.05.038
BindingDB Entry DOI: 10.7270/Q23N23FX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094687
PNG
(1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C22H22N8O3/c1-3-4-11-29-13-16-18(27-29)25-21(26-22(31)23-14-7-9-15(32-2)10-8-14)30-20(16)24-19(28-30)17-6-5-12-33-17/h5-10,12-13H,3-4,11H2,1-2H3,(H2,23,25,26,27,31)
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0.320n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A3 receptor


Bioorg Med Chem Lett 21: 2898-905 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.073
BindingDB Entry DOI: 10.7270/Q2VH5P5Z
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094687
PNG
(1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C22H22N8O3/c1-3-4-11-29-13-16-18(27-29)25-21(26-22(31)23-14-7-9-15(32-2)10-8-14)30-20(16)24-19(28-30)17-6-5-12-33-17/h5-10,12-13H,3-4,11H2,1-2H3,(H2,23,25,26,27,31)
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0.320n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.27-0.34


J Med Chem 45: 770-80 (2002)


Article DOI: 10.1021/jm0109614
BindingDB Entry DOI: 10.7270/Q27W6BHW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094687
PNG
(1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C22H22N8O3/c1-3-4-11-29-13-16-18(27-29)25-21(26-22(31)23-14-7-9-15(32-2)10-8-14)30-20(16)24-19(28-30)17-6-5-12-33-17/h5-10,12-13H,3-4,11H2,1-2H3,(H2,23,25,26,27,31)
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0.320n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008-F20 from human Adenosine A3 receptor expressed in CHO cells


J Med Chem 44: 2735-42 (2001)


Article DOI: 10.1021/jm010818a
BindingDB Entry DOI: 10.7270/Q2WQ033H
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094687
PNG
(1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C22H22N8O3/c1-3-4-11-29-13-16-18(27-29)25-21(26-22(31)23-14-7-9-15(32-2)10-8-14)30-20(16)24-19(28-30)17-6-5-12-33-17/h5-10,12-13H,3-4,11H2,1-2H3,(H2,23,25,26,27,31)
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0.320n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 0.27-0.34


J Med Chem 43: 4768-80 (2000)


Article DOI: 10.1021/jm001047y
BindingDB Entry DOI: 10.7270/Q2D21WWT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094690
PNG
(1-(3-Chloro-phenyl)-3-(2-furan-2-yl-8-methyl-8H-py...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C18H13ClN8O2/c1-26-9-12-14(24-26)22-17(23-18(28)20-11-5-2-4-10(19)8-11)27-16(12)21-15(25-27)13-6-3-7-29-13/h2-9H,1H3,(H2,20,22,23,24,28)
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0.400n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.24-0.64


J Med Chem 45: 770-80 (2002)


Article DOI: 10.1021/jm0109614
BindingDB Entry DOI: 10.7270/Q27W6BHW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094690
PNG
(1-(3-Chloro-phenyl)-3-(2-furan-2-yl-8-methyl-8H-py...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C18H13ClN8O2/c1-26-9-12-14(24-26)22-17(23-18(28)20-11-5-2-4-10(19)8-11)27-16(12)21-15(25-27)13-6-3-7-29-13/h2-9H,1H3,(H2,20,22,23,24,28)
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0.400n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094690
PNG
(1-(3-Chloro-phenyl)-3-(2-furan-2-yl-8-methyl-8H-py...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C18H13ClN8O2/c1-26-9-12-14(24-26)22-17(23-18(28)20-11-5-2-4-10(19)8-11)27-16(12)21-15(25-27)13-6-3-7-29-13/h2-9H,1H3,(H2,20,22,23,24,28)
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0.400n/an/an/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A3 receptor


J Med Chem 48: 152-62 (2005)


Article DOI: 10.1021/jm049662f
BindingDB Entry DOI: 10.7270/Q2183609
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094690
PNG
(1-(3-Chloro-phenyl)-3-(2-furan-2-yl-8-methyl-8H-py...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C18H13ClN8O2/c1-26-9-12-14(24-26)22-17(23-18(28)20-11-5-2-4-10(19)8-11)27-16(12)21-15(25-27)13-6-3-7-29-13/h2-9H,1H3,(H2,20,22,23,24,28)
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0.400n/an/an/an/an/an/an/an/a



Universit£ di Padova

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 17: 5259-74 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.05.038
BindingDB Entry DOI: 10.7270/Q23N23FX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094690
PNG
(1-(3-Chloro-phenyl)-3-(2-furan-2-yl-8-methyl-8H-py...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C18H13ClN8O2/c1-26-9-12-14(24-26)22-17(23-18(28)20-11-5-2-4-10(19)8-11)27-16(12)21-15(25-27)13-6-3-7-29-13/h2-9H,1H3,(H2,20,22,23,24,28)
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0.400n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A3 receptor


Bioorg Med Chem Lett 21: 2898-905 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.073
BindingDB Entry DOI: 10.7270/Q2VH5P5Z
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094690
PNG
(1-(3-Chloro-phenyl)-3-(2-furan-2-yl-8-methyl-8H-py...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C18H13ClN8O2/c1-26-9-12-14(24-26)22-17(23-18(28)20-11-5-2-4-10(19)8-11)27-16(12)21-15(25-27)13-6-3-7-29-13/h2-9H,1H3,(H2,20,22,23,24,28)
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0.400n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 0.24-0.64


J Med Chem 43: 4768-80 (2000)


Article DOI: 10.1021/jm001047y
BindingDB Entry DOI: 10.7270/Q2D21WWT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50085371
PNG
(1-(8-Allyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES COc1ccc(NC(=O)Nc2nc3nn(CC=C)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C21H18N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h3-9,11-12H,1,10H2,2H3,(H2,22,24,25,26,30)
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0.480n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 0.32-0.74


J Med Chem 43: 4768-80 (2000)


Article DOI: 10.1021/jm001047y
BindingDB Entry DOI: 10.7270/Q2D21WWT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50085371
PNG
(1-(8-Allyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES COc1ccc(NC(=O)Nc2nc3nn(CC=C)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C21H18N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h3-9,11-12H,1,10H2,2H3,(H2,22,24,25,26,30)
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0.480n/an/an/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A3 receptor


J Med Chem 48: 152-62 (2005)


Article DOI: 10.1021/jm049662f
BindingDB Entry DOI: 10.7270/Q2183609
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094683
PNG
(1-(3-Chloro-phenyl)-3-(2-furan-2-yl-8H-pyrazolo[4,...)
Show SMILES Clc1cccc(NC(=O)Nc2nc3n[nH]cc3c3nc(nn23)-c2ccco2)c1
Show InChI InChI=1S/C17H11ClN8O2/c18-9-3-1-4-10(7-9)20-17(27)23-16-22-13-11(8-19-24-13)15-21-14(25-26(15)16)12-5-2-6-28-12/h1-8H,(H3,19,20,22,23,24,27)
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0.5n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 0.34-0.73


J Med Chem 43: 4768-80 (2000)


Article DOI: 10.1021/jm001047y
BindingDB Entry DOI: 10.7270/Q2D21WWT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094683
PNG
(1-(3-Chloro-phenyl)-3-(2-furan-2-yl-8H-pyrazolo[4,...)
Show SMILES Clc1cccc(NC(=O)Nc2nc3n[nH]cc3c3nc(nn23)-c2ccco2)c1
Show InChI InChI=1S/C17H11ClN8O2/c18-9-3-1-4-10(7-9)20-17(27)23-16-22-13-11(8-19-24-13)15-21-14(25-26(15)16)12-5-2-6-28-12/h1-8H,(H3,19,20,22,23,24,27)
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0.5n/an/an/an/an/an/an/an/a



Universit£ di Padova

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 17: 5259-74 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.05.038
BindingDB Entry DOI: 10.7270/Q23N23FX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094683
PNG
(1-(3-Chloro-phenyl)-3-(2-furan-2-yl-8H-pyrazolo[4,...)
Show SMILES Clc1cccc(NC(=O)Nc2nc3n[nH]cc3c3nc(nn23)-c2ccco2)c1
Show InChI InChI=1S/C17H11ClN8O2/c18-9-3-1-4-10(7-9)20-17(27)23-16-22-13-11(8-19-24-13)15-21-14(25-26(15)16)12-5-2-6-28-12/h1-8H,(H3,19,20,22,23,24,27)
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0.5n/an/an/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A3 receptor


J Med Chem 48: 152-62 (2005)


Article DOI: 10.1021/jm049662f
BindingDB Entry DOI: 10.7270/Q2183609
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50082418
PNG
(1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4...)
Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C20H18N8O3/c1-3-27-11-14-16(25-27)23-19(24-20(29)21-12-6-8-13(30-2)9-7-12)28-18(14)22-17(26-28)15-5-4-10-31-15/h4-11H,3H2,1-2H3,(H2,21,23,24,25,29)
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0.600n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 0.51-0.70


J Med Chem 43: 4768-80 (2000)


Article DOI: 10.1021/jm001047y
BindingDB Entry DOI: 10.7270/Q2D21WWT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50082418
PNG
(1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4...)
Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C20H18N8O3/c1-3-27-11-14-16(25-27)23-19(24-20(29)21-12-6-8-13(30-2)9-7-12)28-18(14)22-17(26-28)15-5-4-10-31-15/h4-11H,3H2,1-2H3,(H2,21,23,24,25,29)
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0.600n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50082418
PNG
(1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4...)
Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C20H18N8O3/c1-3-27-11-14-16(25-27)23-19(24-20(29)21-12-6-8-13(30-2)9-7-12)28-18(14)22-17(26-28)15-5-4-10-31-15/h4-11H,3H2,1-2H3,(H2,21,23,24,25,29)
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0.600n/an/an/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A3 receptor


J Med Chem 48: 152-62 (2005)


Article DOI: 10.1021/jm049662f
BindingDB Entry DOI: 10.7270/Q2183609
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50082418
PNG
(1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4...)
Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C20H18N8O3/c1-3-27-11-14-16(25-27)23-19(24-20(29)21-12-6-8-13(30-2)9-7-12)28-18(14)22-17(26-28)15-5-4-10-31-15/h4-11H,3H2,1-2H3,(H2,21,23,24,25,29)
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0.600n/an/an/an/an/an/an/an/a



Universit£ di Padova

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 17: 5259-74 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.05.038
BindingDB Entry DOI: 10.7270/Q23N23FX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50082418
PNG
(1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4...)
Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C20H18N8O3/c1-3-27-11-14-16(25-27)23-19(24-20(29)21-12-6-8-13(30-2)9-7-12)28-18(14)22-17(26-28)15-5-4-10-31-15/h4-11H,3H2,1-2H3,(H2,21,23,24,25,29)
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0.600n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A3 receptor


Bioorg Med Chem Lett 21: 2898-905 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.073
BindingDB Entry DOI: 10.7270/Q2VH5P5Z
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50082418
PNG
(1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4...)
Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C20H18N8O3/c1-3-27-11-14-16(25-27)23-19(24-20(29)21-12-6-8-13(30-2)9-7-12)28-18(14)22-17(26-28)15-5-4-10-31-15/h4-11H,3H2,1-2H3,(H2,21,23,24,25,29)
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0.600n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.51-0.70


J Med Chem 45: 770-80 (2002)


Article DOI: 10.1021/jm0109614
BindingDB Entry DOI: 10.7270/Q27W6BHW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50082418
PNG
(1-(8-ethyl-2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4...)
Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C20H18N8O3/c1-3-27-11-14-16(25-27)23-19(24-20(29)21-12-6-8-13(30-2)9-7-12)28-18(14)22-17(26-28)15-5-4-10-31-15/h4-11H,3H2,1-2H3,(H2,21,23,24,25,29)
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0.600n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008-F20 from human Adenosine A3 receptor expressed in CHO cells


J Med Chem 44: 2735-42 (2001)


Article DOI: 10.1021/jm010818a
BindingDB Entry DOI: 10.7270/Q2WQ033H
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094686
PNG
(1-(8-tert-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,...)
Show SMILES COc1ccc(NC(=O)Nc2nc3nn(cc3c3nc(nn23)-c2ccco2)C(C)(C)C)cc1
Show InChI InChI=1S/C22H22N8O3/c1-22(2,3)29-12-15-17(27-29)25-20(26-21(31)23-13-7-9-14(32-4)10-8-13)30-19(15)24-18(28-30)16-6-5-11-33-16/h5-12H,1-4H3,(H2,23,25,26,27,31)
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0.800n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 0.63-1.00


J Med Chem 43: 4768-80 (2000)


Article DOI: 10.1021/jm001047y
BindingDB Entry DOI: 10.7270/Q2D21WWT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094686
PNG
(1-(8-tert-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,...)
Show SMILES COc1ccc(NC(=O)Nc2nc3nn(cc3c3nc(nn23)-c2ccco2)C(C)(C)C)cc1
Show InChI InChI=1S/C22H22N8O3/c1-22(2,3)29-12-15-17(27-29)25-20(26-21(31)23-13-7-9-14(32-4)10-8-13)30-19(15)24-18(28-30)16-6-5-11-33-16/h5-12H,1-4H3,(H2,23,25,26,27,31)
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0.800n/an/an/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A3 receptor


J Med Chem 48: 152-62 (2005)


Article DOI: 10.1021/jm049662f
BindingDB Entry DOI: 10.7270/Q2183609
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094686
PNG
(1-(8-tert-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,...)
Show SMILES COc1ccc(NC(=O)Nc2nc3nn(cc3c3nc(nn23)-c2ccco2)C(C)(C)C)cc1
Show InChI InChI=1S/C22H22N8O3/c1-22(2,3)29-12-15-17(27-29)25-20(26-21(31)23-13-7-9-14(32-4)10-8-13)30-19(15)24-18(28-30)16-6-5-11-33-16/h5-12H,1-4H3,(H2,23,25,26,27,31)
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0.800n/an/an/an/an/an/an/an/a



Universit£ di Padova

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 17: 5259-74 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.05.038
BindingDB Entry DOI: 10.7270/Q23N23FX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50082421
PNG
(1-(2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1...)
Show SMILES COc1ccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C26H22N8O3/c1-36-19-11-9-18(10-12-19)27-26(35)30-25-29-22-20(16-33(31-22)14-13-17-6-3-2-4-7-17)24-28-23(32-34(24)25)21-8-5-15-37-21/h2-12,15-16H,13-14H2,1H3,(H2,27,29,30,31,35)
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0.980n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 1.22-1.78


J Med Chem 43: 4768-80 (2000)


Article DOI: 10.1021/jm001047y
BindingDB Entry DOI: 10.7270/Q2D21WWT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50082421
PNG
(1-(2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1...)
Show SMILES COc1ccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C26H22N8O3/c1-36-19-11-9-18(10-12-19)27-26(35)30-25-29-22-20(16-33(31-22)14-13-17-6-3-2-4-7-17)24-28-23(32-34(24)25)21-8-5-15-37-21/h2-12,15-16H,13-14H2,1H3,(H2,27,29,30,31,35)
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0.980n/an/an/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A3 receptor


J Med Chem 48: 152-62 (2005)


Article DOI: 10.1021/jm049662f
BindingDB Entry DOI: 10.7270/Q2183609
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50082421
PNG
(1-(2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1...)
Show SMILES COc1ccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C26H22N8O3/c1-36-19-11-9-18(10-12-19)27-26(35)30-25-29-22-20(16-33(31-22)14-13-17-6-3-2-4-7-17)24-28-23(32-34(24)25)21-8-5-15-37-21/h2-12,15-16H,13-14H2,1H3,(H2,27,29,30,31,35)
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1.47n/an/an/an/an/an/an/an/a



Universit£ di Padova

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 17: 5259-74 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.05.038
BindingDB Entry DOI: 10.7270/Q23N23FX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50082421
PNG
(1-(2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1...)
Show SMILES COc1ccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C26H22N8O3/c1-36-19-11-9-18(10-12-19)27-26(35)30-25-29-22-20(16-33(31-22)14-13-17-6-3-2-4-7-17)24-28-23(32-34(24)25)21-8-5-15-37-21/h2-12,15-16H,13-14H2,1H3,(H2,27,29,30,31,35)
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1.5n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125]AB-MECA from human Adenosine A3 receptor expressed in HEK-293 cells


J Med Chem 42: 4473-8 (1999)


Article DOI: 10.1021/jm991114s
BindingDB Entry DOI: 10.7270/Q26972RX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50082425
PNG
(1-(3-Chloro-phenyl)-3-(8-ethyl-2-furan-2-yl-8H-pyr...)
Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C19H15ClN8O2/c1-2-27-10-13-15(25-27)23-18(24-19(29)21-12-6-3-5-11(20)9-12)28-17(13)22-16(26-28)14-7-4-8-30-14/h3-10H,2H2,1H3,(H2,21,23,24,25,29)
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1.60n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 1.42-1.79


J Med Chem 43: 4768-80 (2000)


Article DOI: 10.1021/jm001047y
BindingDB Entry DOI: 10.7270/Q2D21WWT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50082425
PNG
(1-(3-Chloro-phenyl)-3-(8-ethyl-2-furan-2-yl-8H-pyr...)
Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C19H15ClN8O2/c1-2-27-10-13-15(25-27)23-18(24-19(29)21-12-6-3-5-11(20)9-12)28-17(13)22-16(26-28)14-7-4-8-30-14/h3-10H,2H2,1H3,(H2,21,23,24,25,29)
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1.60n/an/an/an/an/an/an/an/a



Universit£ di Padova

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 17: 5259-74 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.05.038
BindingDB Entry DOI: 10.7270/Q23N23FX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50082425
PNG
(1-(3-Chloro-phenyl)-3-(8-ethyl-2-furan-2-yl-8H-pyr...)
Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C19H15ClN8O2/c1-2-27-10-13-15(25-27)23-18(24-19(29)21-12-6-3-5-11(20)9-12)28-17(13)22-16(26-28)14-7-4-8-30-14/h3-10H,2H2,1H3,(H2,21,23,24,25,29)
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1.60n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A3 receptor


Bioorg Med Chem Lett 21: 2898-905 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.073
BindingDB Entry DOI: 10.7270/Q2VH5P5Z
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50082425
PNG
(1-(3-Chloro-phenyl)-3-(8-ethyl-2-furan-2-yl-8H-pyr...)
Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C19H15ClN8O2/c1-2-27-10-13-15(25-27)23-18(24-19(29)21-12-6-3-5-11(20)9-12)28-17(13)22-16(26-28)14-7-4-8-30-14/h3-10H,2H2,1H3,(H2,21,23,24,25,29)
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1.60n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 1.42-1.79


J Med Chem 45: 770-80 (2002)


Article DOI: 10.1021/jm0109614
BindingDB Entry DOI: 10.7270/Q27W6BHW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50082425
PNG
(1-(3-Chloro-phenyl)-3-(8-ethyl-2-furan-2-yl-8H-pyr...)
Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C19H15ClN8O2/c1-2-27-10-13-15(25-27)23-18(24-19(29)21-12-6-3-5-11(20)9-12)28-17(13)22-16(26-28)14-7-4-8-30-14/h3-10H,2H2,1H3,(H2,21,23,24,25,29)
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1.60n/an/an/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A3 receptor


J Med Chem 48: 152-62 (2005)


Article DOI: 10.1021/jm049662f
BindingDB Entry DOI: 10.7270/Q2183609
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50082425
PNG
(1-(3-Chloro-phenyl)-3-(8-ethyl-2-furan-2-yl-8H-pyr...)
Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C19H15ClN8O2/c1-2-27-10-13-15(25-27)23-18(24-19(29)21-12-6-3-5-11(20)9-12)28-17(13)22-16(26-28)14-7-4-8-30-14/h3-10H,2H2,1H3,(H2,21,23,24,25,29)
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2.10n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125]AB-MECA from human Adenosine A3 receptor expressed in HEK-293 cells


J Med Chem 42: 4473-8 (1999)


Article DOI: 10.1021/jm991114s
BindingDB Entry DOI: 10.7270/Q26972RX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50082425
PNG
(1-(3-Chloro-phenyl)-3-(8-ethyl-2-furan-2-yl-8H-pyr...)
Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C19H15ClN8O2/c1-2-27-10-13-15(25-27)23-18(24-19(29)21-12-6-3-5-11(20)9-12)28-17(13)22-16(26-28)14-7-4-8-30-14/h3-10H,2H2,1H3,(H2,21,23,24,25,29)
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2.10n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094689
PNG
(1-(8-tert-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,...)
Show SMILES CC(C)(C)n1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C21H19ClN8O2/c1-21(2,3)29-11-14-16(27-29)25-19(26-20(31)23-13-7-4-6-12(22)10-13)30-18(14)24-17(28-30)15-8-5-9-32-15/h4-11H,1-3H3,(H2,23,25,26,27,31)
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2.78n/an/an/an/an/an/an/an/a



Universit£ di Padova

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 17: 5259-74 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.05.038
BindingDB Entry DOI: 10.7270/Q23N23FX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094689
PNG
(1-(8-tert-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,...)
Show SMILES CC(C)(C)n1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C21H19ClN8O2/c1-21(2,3)29-11-14-16(27-29)25-19(26-20(31)23-13-7-4-6-12(22)10-13)30-18(14)24-17(28-30)15-8-5-9-32-15/h4-11H,1-3H3,(H2,23,25,26,27,31)
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2.78n/an/an/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A3 receptor


J Med Chem 48: 152-62 (2005)


Article DOI: 10.1021/jm049662f
BindingDB Entry DOI: 10.7270/Q2183609
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094689
PNG
(1-(8-tert-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,...)
Show SMILES CC(C)(C)n1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C21H19ClN8O2/c1-21(2,3)29-11-14-16(27-29)25-19(26-20(31)23-13-7-4-6-12(22)10-13)30-18(14)24-17(28-30)15-8-5-9-32-15/h4-11H,1-3H3,(H2,23,25,26,27,31)
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2.78n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 2.13-3.62


J Med Chem 43: 4768-80 (2000)


Article DOI: 10.1021/jm001047y
BindingDB Entry DOI: 10.7270/Q2D21WWT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50082426
PNG
(1-(3-Chloro-phenyl)-3-(2-furan-2-yl-8-phenethyl-8H...)
Show SMILES Clc1cccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)c1
Show InChI InChI=1S/C25H19ClN8O2/c26-17-8-4-9-18(14-17)27-25(35)30-24-29-21-19(15-33(31-21)12-11-16-6-2-1-3-7-16)23-28-22(32-34(23)24)20-10-5-13-36-20/h1-10,13-15H,11-12H2,(H2,27,29,30,31,35)
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8n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 7.2-8.9


J Med Chem 43: 4768-80 (2000)


Article DOI: 10.1021/jm001047y
BindingDB Entry DOI: 10.7270/Q2D21WWT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50082426
PNG
(1-(3-Chloro-phenyl)-3-(2-furan-2-yl-8-phenethyl-8H...)
Show SMILES Clc1cccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)c1
Show InChI InChI=1S/C25H19ClN8O2/c26-17-8-4-9-18(14-17)27-25(35)30-24-29-21-19(15-33(31-21)12-11-16-6-2-1-3-7-16)23-28-22(32-34(23)24)20-10-5-13-36-20/h1-10,13-15H,11-12H2,(H2,27,29,30,31,35)
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8n/an/an/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A3 receptor


J Med Chem 48: 152-62 (2005)


Article DOI: 10.1021/jm049662f
BindingDB Entry DOI: 10.7270/Q2183609
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50082426
PNG
(1-(3-Chloro-phenyl)-3-(2-furan-2-yl-8-phenethyl-8H...)
Show SMILES Clc1cccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)c1
Show InChI InChI=1S/C25H19ClN8O2/c26-17-8-4-9-18(14-17)27-25(35)30-24-29-21-19(15-33(31-21)12-11-16-6-2-1-3-7-16)23-28-22(32-34(23)24)20-10-5-13-36-20/h1-10,13-15H,11-12H2,(H2,27,29,30,31,35)
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13n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125]AB-MECA from human Adenosine A3 receptor expressed in HEK-293 cells


J Med Chem 42: 4473-8 (1999)


Article DOI: 10.1021/jm991114s
BindingDB Entry DOI: 10.7270/Q26972RX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50082426
PNG
(1-(3-Chloro-phenyl)-3-(2-furan-2-yl-8-phenethyl-8H...)
Show SMILES Clc1cccc(NC(=O)Nc2nc3nn(CCc4ccccc4)cc3c3nc(nn23)-c2ccco2)c1
Show InChI InChI=1S/C25H19ClN8O2/c26-17-8-4-9-18(14-17)27-25(35)30-24-29-21-19(15-33(31-21)12-11-16-6-2-1-3-7-16)23-28-22(32-34(23)24)20-10-5-13-36-20/h1-10,13-15H,11-12H2,(H2,27,29,30,31,35)
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13.3n/an/an/an/an/an/an/an/a



Universit£ di Padova

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 17: 5259-74 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.05.038
BindingDB Entry DOI: 10.7270/Q23N23FX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50082419
PNG
(1-(2-(furan-2-yl)-8-(3-phenylpropyl)-8H-pyrazolo[4...)
Show SMILES COc1ccc(NC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C27H24N8O3/c1-37-20-13-11-19(12-14-20)28-27(36)31-26-30-23-21(25-29-24(33-35(25)26)22-10-6-16-38-22)17-34(32-23)15-5-9-18-7-3-2-4-8-18/h2-4,6-8,10-14,16-17H,5,9,15H2,1H3,(H2,28,30,31,32,36)
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19.8n/an/an/an/an/an/an/an/a



Universit£ di Padova

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem 17: 5259-74 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.05.038
BindingDB Entry DOI: 10.7270/Q23N23FX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50082419
PNG
(1-(2-(furan-2-yl)-8-(3-phenylpropyl)-8H-pyrazolo[4...)
Show SMILES COc1ccc(NC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C27H24N8O3/c1-37-20-13-11-19(12-14-20)28-27(36)31-26-30-23-21(25-29-24(33-35(25)26)22-10-6-16-38-22)17-34(32-23)15-5-9-18-7-3-2-4-8-18/h2-4,6-8,10-14,16-17H,5,9,15H2,1H3,(H2,28,30,31,32,36)
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20n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125]AB-MECA from human Adenosine A3 receptor expressed in HEK-293 cells


J Med Chem 42: 4473-8 (1999)


Article DOI: 10.1021/jm991114s
BindingDB Entry DOI: 10.7270/Q26972RX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50094679
PNG
(1-(2-(furan-2-yl)-8-isopentyl-8H-pyrazolo[4,3-e][1...)
Show SMILES COc1ccc(NC(=O)Nc2nc3nn(CCC(C)C)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C23H24N8O3/c1-14(2)10-11-30-13-17-19(28-30)26-22(27-23(32)24-15-6-8-16(33-3)9-7-15)31-21(17)25-20(29-31)18-5-4-12-34-18/h4-9,12-14H,10-11H2,1-3H3,(H2,24,26,27,28,32)
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30n/an/an/an/an/an/an/an/a



Università degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 23-40


J Med Chem 43: 4768-80 (2000)


Article DOI: 10.1021/jm001047y
BindingDB Entry DOI: 10.7270/Q2D21WWT
More data for this
Ligand-Target Pair
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