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Compile Data Set for Download or QSAR

Found 1367 hits with Last Name = 'kachler' and Initial = 's'   
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))
BDBM50315643
PNG
(CHEMBL1091268 | N-[2-(Phenyl)-8-methylpyrazolo[4,3...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccccc1
Show InChI InChI=1S/C21H17N7O/c1-27-13-16-19(25-27)24-21(22-17(29)12-14-8-4-2-5-9-14)28-20(16)23-18(26-28)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,22,24,25,29)
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0.108n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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


J Med Chem 53: 3361-75 (2010)


Article DOI: 10.1021/jm100049f
BindingDB Entry DOI: 10.7270/Q2DR2VNJ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50108043
PNG
(2,2'-(4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3...)
Show SMILES Nc1nc2n(CCc3ccc(cc3)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H24N8O3/c23-22-26-20-17(21-25-19(27-30(21)22)18-2-1-13-33-18)14-24-29(20)8-7-15-3-5-16(6-4-15)28(9-11-31)10-12-32/h1-6,13-14,31-32H,7-12H2,(H2,23,26)
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0.120n/an/an/an/an/an/an/an/a



Universit£ di Padova

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A 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 A2a


(Homo sapiens (Human))
BDBM50108020
PNG
(7-(3-(4-(aminomethyl)phenyl)propyl)-2-(furan-2-yl)...)
Show SMILES NCc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C20H20N8O/c21-11-14-7-5-13(6-8-14)3-1-9-27-18-15(12-23-27)19-24-17(16-4-2-10-29-16)26-28(19)20(22)25-18/h2,4-8,10,12H,1,3,9,11,21H2,(H2,22,25)
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0.130n/an/an/an/an/an/an/an/a



Universit£ di Padova

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A 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))
BDBM50094696
PNG
(1-(2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazol...)
Show SMILES COc1ccc(NC(=O)Nc2nc3n[nH]cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C18H14N8O3/c1-28-11-6-4-10(5-7-11)20-18(27)23-17-22-14-12(9-19-24-14)16-21-15(25-26(16)17)13-3-2-8-29-13/h2-9H,1H3,(H3,19,20,22,23,24,27)
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0.140n/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))
BDBM50109445
PNG
(1-(8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1ccc(C)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C20H18N8O2/c1-3-27-11-14-16(25-27)23-19(24-20(29)21-13-8-6-12(2)7-9-13)28-18(14)22-17(26-28)15-5-4-10-30-15/h4-11H,3H2,1-2H3,(H2,21,23,24,25,29)
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0.140n/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))
BDBM50109481
PNG
(1-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,...)
Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C20H18N8O2/c1-2-10-27-12-14-16(25-27)23-19(24-20(29)21-13-7-4-3-5-8-13)28-18(14)22-17(26-28)15-9-6-11-30-15/h3-9,11-12H,2,10H2,1H3,(H2,21,23,24,25,29)
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0.150n/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))
BDBM50355170
PNG
(CHEMBL1834703)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccc(cc1)-c1ccco1
Show InChI InChI=1S/C24H18N8O2/c1-31-14-18-21(29-31)27-23(28-24(33)25-17-6-3-2-4-7-17)32-22(18)26-20(30-32)16-11-9-15(10-12-16)19-8-5-13-34-19/h2-14H,1H3,(H2,25,27,28,29,33)
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0.160n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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


Bioorg Med Chem 19: 6120-34 (2011)


Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50109461
PNG
(1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C18H14N8O2/c1-25-10-12-14(23-25)21-17(22-18(27)19-11-6-3-2-4-7-11)26-16(12)20-15(24-26)13-8-5-9-28-13/h2-10H,1H3,(H2,19,21,22,23,27)
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0.160n/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 A2a


(Homo sapiens (Human))
BDBM50082423
PNG
(2-(furan-2-yl)-8-(3-phenylpropyl)-8H-pyrazolo[4,3-...)
Show SMILES Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H17N7O/c20-19-22-16-14(18-21-17(24-26(18)19)15-9-5-11-27-15)12-25(23-16)10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,22,23)
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0.160n/an/an/an/an/an/an/an/a



Universit£ di Padova

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A 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))
BDBM50109473
PNG
(1-(8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C19H16N8O2/c1-2-26-11-13-15(24-26)22-18(23-19(28)20-12-7-4-3-5-8-12)27-17(13)21-16(25-27)14-9-6-10-29-14/h3-11H,2H2,1H3,(H2,20,22,23,24,28)
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0.180n/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 A2a


(Homo sapiens (Human))
BDBM50108019
PNG
((5-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1...)
Show SMILES Nc1nc2n(CCCc3ccc4OC(CO)(CO)Oc4c3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H21N7O5/c23-21-26-19-14(20-25-18(27-29(20)21)16-4-2-8-32-16)10-24-28(19)7-1-3-13-5-6-15-17(9-13)34-22(11-30,12-31)33-15/h2,4-6,8-10,30-31H,1,3,7,11-12H2,(H2,23,26)
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0.190n/an/an/an/an/an/an/an/a



Universit£ di Padova

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A 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))
BDBM50355171
PNG
(CHEMBL1834704)
Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(cc2)-c2ccco2)cc1
Show InChI InChI=1S/C25H20N8O3/c1-32-14-19-22(30-32)28-24(29-25(34)26-17-9-11-18(35-2)12-10-17)33-23(19)27-21(31-33)16-7-5-15(6-8-16)20-4-3-13-36-20/h3-14H,1-2H3,(H2,26,28,29,30,34)
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0.200n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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


Bioorg Med Chem 19: 6120-34 (2011)


Article DOI: 10.1016/j.bmc.2011.08.026
BindingDB Entry DOI: 10.7270/Q2GX4BZG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50109455
PNG
(1-(4-Chloro-phenyl)-3-(8-ethyl-2-furan-2-yl-8H-pyr...)
Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C19H15ClN8O2/c1-2-27-10-13-15(25-27)23-18(24-19(29)21-12-7-5-11(20)6-8-12)28-17(13)22-16(26-28)14-4-3-9-30-14/h3-10H,2H2,1H3,(H2,21,23,24,25,29)
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0.200n/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))
BDBM50094691
PNG
(1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...)
Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C19H16N8O3/c1-26-10-13-15(24-26)22-18(23-19(28)20-11-5-7-12(29-2)8-6-11)27-17(13)21-16(25-27)14-4-3-9-30-14/h3-10H,1-2H3,(H2,20,22,23,24,28)
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0.200n/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))
BDBM50315644
PNG
(CHEMBL1091640 | N-[2-(4-Fluorophenyl)-8-methylpyra...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(F)cc1
Show InChI InChI=1S/C21H16FN7O/c1-28-12-16-19(26-28)25-21(23-17(30)11-13-5-3-2-4-6-13)29-20(16)24-18(27-29)14-7-9-15(22)10-8-14/h2-10,12H,11H2,1H3,(H,23,25,26,30)
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0.201n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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


J Med Chem 53: 3361-75 (2010)


Article DOI: 10.1021/jm100049f
BindingDB Entry DOI: 10.7270/Q2DR2VNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50109456
PNG
(1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES CCCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C21H20N8O2/c1-2-3-11-28-13-15-17(26-28)24-20(25-21(30)22-14-8-5-4-6-9-14)29-19(15)23-18(27-29)16-10-7-12-31-16/h4-10,12-13H,2-3,11H2,1H3,(H2,22,24,25,26,30)
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0.210n/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))
BDBM50109438
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(C)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C22H22N8O2/c1-3-4-11-29-13-16-18(27-29)25-21(26-22(31)23-15-9-7-14(2)8-10-15)30-20(16)24-19(28-30)17-6-5-12-32-17/h5-10,12-13H,3-4,11H2,1-2H3,(H2,23,25,26,27,31)
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0.210n/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 A2a


(Homo sapiens (Human))
BDBM50108018
PNG
(7-(3-(4-aminophenyl)propyl)-2-(furan-2-yl)-7H-pyra...)
Show SMILES Nc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C19H18N8O/c20-13-7-5-12(6-8-13)3-1-9-26-17-14(11-22-26)18-23-16(15-4-2-10-28-15)25-27(18)19(21)24-17/h2,4-8,10-11H,1,3,9,20H2,(H2,21,24)
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0.220n/an/an/an/an/an/an/an/a



Universit£ di Padova

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A 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))
BDBM50109441
PNG
(1-(benzo[d][1,3]dioxol-5-yl)-3-(2-(furan-2-yl)-8-m...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc3OCOc3c1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C19H14N8O4/c1-26-8-11-15(24-26)22-18(27-17(11)21-16(25-27)13-3-2-6-29-13)23-19(28)20-10-4-5-12-14(7-10)31-9-30-12/h2-8H,9H2,1H3,(H2,20,22,23,24,28)
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0.240n/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))
BDBM50315647
PNG
(CHEMBL1091938 | N-[2-(4-Methoxyphenyl)-8-methylpyr...)
Show SMILES COc1ccc(cc1)-c1nc2c3cn(C)nc3nc(NC(=O)Cc3ccccc3)n2n1
Show InChI InChI=1S/C22H19N7O2/c1-28-13-17-20(26-28)25-22(23-18(30)12-14-6-4-3-5-7-14)29-21(17)24-19(27-29)15-8-10-16(31-2)11-9-15/h3-11,13H,12H2,1-2H3,(H,23,25,26,30)
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0.241n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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


J Med Chem 53: 3361-75 (2010)


Article DOI: 10.1021/jm100049f
BindingDB Entry DOI: 10.7270/Q2DR2VNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50315645
PNG
(CHEMBL1091641 | N-[2-(4-Chlorophenyl)-8-methylpyra...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H16ClN7O/c1-28-12-16-19(26-28)25-21(23-17(30)11-13-5-3-2-4-6-13)29-20(16)24-18(27-29)14-7-9-15(22)10-8-14/h2-10,12H,11H2,1H3,(H,23,25,26,30)
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0.248n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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


J Med Chem 53: 3361-75 (2010)


Article DOI: 10.1021/jm100049f
BindingDB Entry DOI: 10.7270/Q2DR2VNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50298557
PNG
(5-[(Diphenylmethyl)carbonyl]amino-8-methyl-2-(2-fu...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)C(c1ccccc1)c1ccccc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C25H19N7O2/c1-31-15-18-21(29-31)27-25(32-23(18)26-22(30-32)19-13-8-14-34-19)28-24(33)20(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-15,20H,1H3,(H,27,28,29,33)
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0.25n/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))
BDBM50109475
PNG
(1-(benzo[d][1,3]dioxol-5-yl)-3-(8-ethyl-2-(furan-2...)
Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1ccc3OCOc3c1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C20H16N8O4/c1-2-27-9-12-16(25-27)23-19(28-18(12)22-17(26-28)14-4-3-7-30-14)24-20(29)21-11-5-6-13-15(8-11)32-10-31-13/h3-9H,2,10H2,1H3,(H2,21,23,24,25,29)
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0.270n/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))
BDBM50109454
PNG
(1-(4-Chloro-phenyl)-3-(2-furan-2-yl-8-methyl-8H-py...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C18H13ClN8O2/c1-26-9-12-14(24-26)22-17(23-18(28)20-11-6-4-10(19)5-7-11)27-16(12)21-15(25-27)13-3-2-8-29-13/h2-9H,1H3,(H2,20,22,23,24,28)
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0.290n/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))
BDBM50109462
PNG
(1-(4-Fluoro-phenyl)-3-(2-furan-2-yl-8-propyl-8H-py...)
Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C20H17FN8O2/c1-2-9-28-11-14-16(26-28)24-19(25-20(30)22-13-7-5-12(21)6-8-13)29-18(14)23-17(27-29)15-4-3-10-31-15/h3-8,10-11H,2,9H2,1H3,(H2,22,24,25,26,30)
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0.290n/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))
BDBM50109480
PNG
(1-(2-Chloro-phenyl)-3-(8-ethyl-2-furan-2-yl-8H-pyr...)
Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1ccccc1Cl)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C19H15ClN8O2/c1-2-27-10-11-15(25-27)23-18(24-19(29)21-13-7-4-3-6-12(13)20)28-17(11)22-16(26-28)14-8-5-9-30-14/h3-10H,2H2,1H3,(H2,21,23,24,25,29)
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0.300n/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))
BDBM50109446
PNG
(1-(benzo[d][1,3]dioxol-5-yl)-3-(2-(furan-2-yl)-8-p...)
Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc3OCOc3c1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C21H18N8O4/c1-2-7-28-10-13-17(26-28)24-20(29-19(13)23-18(27-29)15-4-3-8-31-15)25-21(30)22-12-5-6-14-16(9-12)33-11-32-14/h3-6,8-10H,2,7,11H2,1H3,(H2,22,24,25,26,30)
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0.300n/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))
BDBM50109472
PNG
(1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...)
Show SMILES Cc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C19H16N8O2/c1-11-5-7-12(8-6-11)20-19(28)23-18-22-15-13(10-26(2)24-15)17-21-16(25-27(17)18)14-4-3-9-29-14/h3-10H,1-2H3,(H2,20,22,23,24,28)
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0.310n/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 A1


(Homo sapiens (Human))
BDBM50078427
PNG
(CHEMBL3414941)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12
Show InChI InChI=1/C15H18ClN9O3/c1-2-25-22-12(21-23-25)10-8(26)9(27)14(28-10)24-5-17-7-11(18-6-3-4-6)19-15(16)20-13(7)24/h5-6,8-10,14,26-27H,2-4H2,1H3,(H,18,19,20)/t8-,9+,10-,14+/s2
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0.311n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor transfected in CHO cells


J Med Chem 58: 2560-6 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00074
BindingDB Entry DOI: 10.7270/Q2GX4D8B
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))
BDBM50109434
PNG
(1-(4-Fluoro-phenyl)-3-(2-furan-2-yl-8-methyl-8H-py...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C18H13FN8O2/c1-26-9-12-14(24-26)22-17(23-18(28)20-11-6-4-10(19)5-7-11)27-16(12)21-15(25-27)13-3-2-8-29-13/h2-9H,1H3,(H2,20,22,23,24,28)
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0.340n/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 A2a


(Homo sapiens (Human))
BDBM50051234
PNG
(2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,...)
Show SMILES Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15N7O/c19-18-21-15-13(11-24(22-15)9-8-12-5-2-1-3-6-12)17-20-16(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,21,22)
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0.340n/an/an/an/an/an/an/an/a



Universit£ di Padova

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A 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))
BDBM50109489
PNG
(1-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,...)
Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1OC)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-13-17(26-28)24-20(25-21(30)22-14-7-4-5-8-15(14)31-2)29-19(13)23-18(27-29)16-9-6-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)
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0.340n/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))
BDBM50109458
PNG
(1-(4-Chloro-phenyl)-3-(2-furan-2-yl-8-propyl-8H-py...)
Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C20H17ClN8O2/c1-2-9-28-11-14-16(26-28)24-19(25-20(30)22-13-7-5-12(21)6-8-13)29-18(14)23-17(27-29)15-4-3-10-31-15/h3-8,10-11H,2,9H2,1H3,(H2,22,24,25,26,30)
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0.340n/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))
BDBM50315646
PNG
(CHEMBL1091937 | N-[2-(4-Bromophenyl)-8-methylpyraz...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Cc1ccccc1)n1nc(nc21)-c1ccc(Br)cc1
Show InChI InChI=1S/C21H16BrN7O/c1-28-12-16-19(26-28)25-21(23-17(30)11-13-5-3-2-4-6-13)29-20(16)24-18(27-29)14-7-9-15(22)10-8-14/h2-10,12H,11H2,1H3,(H,23,25,26,30)
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0.345n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


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


J Med Chem 53: 3361-75 (2010)


Article DOI: 10.1021/jm100049f
BindingDB Entry DOI: 10.7270/Q2DR2VNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50109437
PNG
(1-(4-Bromo-phenyl)-3-(8-ethyl-2-furan-2-yl-8H-pyra...)
Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1ccc(Br)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C19H15BrN8O2/c1-2-27-10-13-15(25-27)23-18(24-19(29)21-12-7-5-11(20)6-8-12)28-17(13)22-16(26-28)14-4-3-9-30-14/h3-10H,2H2,1H3,(H2,21,23,24,25,29)
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0.370n/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))
BDBM50109469
PNG
(1-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,...)
Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(C)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C21H20N8O2/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-14-8-6-13(2)7-9-14)29-19(15)23-18(27-29)16-5-4-11-31-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)
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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))
BDBM50109463
PNG
(1-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,...)
Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1cccc(OC)c1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C21H20N8O3/c1-3-9-28-12-15-17(26-28)24-20(25-21(30)22-13-6-4-7-14(11-13)31-2)29-19(15)23-18(27-29)16-8-5-10-32-16/h4-8,10-12H,3,9H2,1-2H3,(H2,22,24,25,26,30)
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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



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))
BDBM50041905
PNG
(5-[6-Amino-2-(3-hydroxy-3-phenyl-prop-1-ynyl)-puri...)
Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(N)nc(nc12)C#CC(O)c1ccccc1
Show InChI InChI=1/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)
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0.420n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 360: 103-8 (1999)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2R20ZXT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50078425
PNG
(CHEMBL3414939)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(Cl)nc12
Show InChI InChI=1/C13H16ClN9O3/c1-3-23-20-10(19-21-23)8-6(24)7(25)12(26-8)22-4-16-5-9(15-2)17-13(14)18-11(5)22/h4,6-8,12,24-25H,3H2,1-2H3,(H,15,17,18)/t6-,7+,8-,12+/s2
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0.429n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]-HEMADO from human recombinant adenosine A3 receptor transfected in CHO cells


J Med Chem 58: 2560-6 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00074
BindingDB Entry DOI: 10.7270/Q2GX4D8B
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50298491
PNG
(CHEMBL572411 | ethyl 2-(4-(3-(5-amino-2-(furan-2-y...)
Show SMILES CCOC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C23H23N7O4/c1-2-32-19(31)14-34-16-9-7-15(8-10-16)5-3-11-29-21-17(13-25-29)22-26-20(18-6-4-12-33-18)28-30(22)23(24)27-21/h4,6-10,12-13H,2-3,5,11,14H2,1H3,(H2,24,27)
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0.430n/an/an/an/an/an/an/an/a



Universit£ di Padova

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A 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))
BDBM50109439
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(Cl)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C21H19ClN8O2/c1-2-3-10-29-12-15-17(27-29)25-20(26-21(31)23-14-8-6-13(22)7-9-14)30-19(15)24-18(28-30)16-5-4-11-32-16/h4-9,11-12H,2-3,10H2,1H3,(H2,23,25,26,27,31)
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0.430n/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))
BDBM50109451
PNG
(1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C18H13N9O4/c1-25-9-12-14(23-25)21-17(26-16(12)20-15(24-26)13-3-2-8-31-13)22-18(28)19-10-4-6-11(7-5-10)27(29)30/h2-9H,1H3,(H2,19,21,22,23,28)
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0.430n/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 A1


(Homo sapiens (Human))
BDBM50078538
PNG
(CHEMBL3414946)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)ncnc12
Show InChI InChI=1/C18H17ClFN9O3/c1-2-29-26-16(25-27-29)14-12(30)13(31)18(32-14)28-7-23-11-15(21-6-22-17(11)28)24-10-4-3-8(19)5-9(10)20/h3-7,12-14,18,30-31H,2H2,1H3,(H,21,22,24)/t12-,13+,14-,18+/s2
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0.432n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor transfected in CHO cells


J Med Chem 58: 2560-6 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00074
BindingDB Entry DOI: 10.7270/Q2GX4D8B
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50109435
PNG
(1-(4-Bromo-phenyl)-3-(2-furan-2-yl-8-propyl-8H-pyr...)
Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Br)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C20H17BrN8O2/c1-2-9-28-11-14-16(26-28)24-19(25-20(30)22-13-7-5-12(21)6-8-13)29-18(14)23-17(27-29)15-4-3-10-31-15/h3-8,10-11H,2,9H2,1H3,(H2,22,24,25,26,30)
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0.450n/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 A1


(Homo sapiens (Human))
BDBM50078428
PNG
(CHEMBL3414942)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4CC[C@@H]3C4)ncnc12
Show InChI InChI=1/C19H25N9O3/c1-2-28-25-17(24-26-28)15-13(29)14(30)19(31-15)27-8-22-12-16(20-7-21-18(12)27)23-11-6-9-3-4-10(11)5-9/h7-11,13-15,19,29-30H,2-6H2,1H3,(H,20,21,23)/t9-,10-,11+,13+,14-,15+,19-/s2
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0.453n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor transfected in CHO cells


J Med Chem 58: 2560-6 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00074
BindingDB Entry DOI: 10.7270/Q2GX4D8B
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50109477
PNG
(1-(4-Bromo-phenyl)-3-(2-furan-2-yl-8-methyl-8H-pyr...)
Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(Br)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C18H13BrN8O2/c1-26-9-12-14(24-26)22-17(23-18(28)20-11-6-4-10(19)5-7-11)27-16(12)21-15(25-27)13-3-2-8-29-13/h2-9H,1H3,(H2,20,22,23,24,28)
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0.460n/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))
BDBM50078424
PNG
(CHEMBL3414938)
Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)ncnc12
Show InChI InChI=1/C13H17N9O3/c1-3-22-19-11(18-20-22)9-7(23)8(24)13(25-9)21-5-17-6-10(14-2)15-4-16-12(6)21/h4-5,7-9,13,23-24H,3H2,1-2H3,(H,14,15,16)/t7-,8+,9-,13+/s2
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0.478n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]-HEMADO from human recombinant adenosine A3 receptor transfected in CHO cells


J Med Chem 58: 2560-6 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00074
BindingDB Entry DOI: 10.7270/Q2GX4D8B
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50298559
PNG
(1-(2-(furan-2-yl)-8-vinyl-8H-pyrazolo[4,3-e][1,2,4...)
Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C=C)cc3c3nc(nn23)-c2ccco2)cc1
Show InChI InChI=1S/C20H16N8O3/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/h3-11H,1H2,2H3,(H2,21,23,24,25,29)
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0.480n/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
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