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Compile Data Set for Download or QSAR

Found 49 hits with Last Name = 'kiselgof' and Initial = 'e'   
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 A2a


(Homo sapiens (Human))
BDBM50202775
PNG
(8-(furan-2-yl)-3-(2-(4-(4-methoxyphenyl)piperazin-...)
Show SMILES COc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccco2)CC1
Show InChI InChI=1S/C23H25N9O2/c1-33-17-6-4-16(5-7-17)30-11-8-29(9-12-30)10-13-31-15-25-19-21(31)27-23(24)32-22(19)26-20(28-32)18-3-2-14-34-18/h2-7,14-15H,8-13H2,1H3,(H2,24,27)
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0.100n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202777
PNG
(3-(2-(4-(4-chloro-2-fluorophenyl)piperazin-1-yl)et...)
Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ccc(Cl)cc3F)cnc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H21ClFN9O/c23-14-3-4-16(15(24)12-14)31-8-5-30(6-9-31)7-10-32-13-26-18-20(32)28-22(25)33-21(18)27-19(29-33)17-2-1-11-34-17/h1-4,11-13H,5-10H2,(H2,25,28)
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0.300n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202788
PNG
(3-(2-(4-(3-chlorophenyl)piperazin-1-yl)ethyl)-8-(f...)
Show SMILES Nc1nc2n(CCN3CCN(CC3)c3cccc(Cl)c3)cnc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H22ClN9O/c23-15-3-1-4-16(13-15)30-9-6-29(7-10-30)8-11-31-14-25-18-20(31)27-22(24)32-21(18)26-19(28-32)17-5-2-12-33-17/h1-5,12-14H,6-11H2,(H2,24,27)
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0.400n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202771
PNG
(8-(furan-2-yl)-3-(2-(4-(4-(2-methoxyethoxy)-2-(tri...)
Show SMILES COCCOc1ccc(N2CCN(CCn3cnc4c3nc(N)n3nc(nc43)-c3ccco3)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H28F3N9O3/c1-39-13-14-40-17-4-5-19(18(15-17)26(27,28)29)36-9-6-35(7-10-36)8-11-37-16-31-21-23(37)33-25(30)38-24(21)32-22(34-38)20-3-2-12-41-20/h2-5,12,15-16H,6-11,13-14H2,1H3,(H2,30,33)
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0.400n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202779
PNG
(3-(2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethyl)-...)
Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ccc(F)cc3F)cnc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H21F2N9O/c23-14-3-4-16(15(24)12-14)31-8-5-30(6-9-31)7-10-32-13-26-18-20(32)28-22(25)33-21(18)27-19(29-33)17-2-1-11-34-17/h1-4,11-13H,5-10H2,(H2,25,28)
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0.700n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202790
PNG
(8-(furan-2-yl)-3-(2-(4-(4-(2-methoxyethoxy)phenyl)...)
Show SMILES COCCOc1ccc(cc1)C1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccco2)CC1
Show InChI InChI=1S/C26H30N8O3/c1-35-15-16-36-20-6-4-18(5-7-20)19-8-10-32(11-9-19)12-13-33-17-28-22-24(33)30-26(27)34-25(22)29-23(31-34)21-3-2-14-37-21/h2-7,14,17,19H,8-13,15-16H2,1H3,(H2,27,30)
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0.700n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202769
PNG
(3-(2-(4-(2-fluoro-4-(2-methoxyethoxy)phenyl)pipera...)
Show SMILES COCCOc1ccc(N2CCN(CCn3cnc4c3nc(N)n3nc(nc43)-c3ccco3)CC2)c(F)c1
Show InChI InChI=1S/C25H28FN9O3/c1-36-13-14-37-17-4-5-19(18(26)15-17)33-9-6-32(7-10-33)8-11-34-16-28-21-23(34)30-25(27)35-24(21)29-22(31-35)20-3-2-12-38-20/h2-5,12,15-16H,6-11,13-14H2,1H3,(H2,27,30)
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0.800n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202783
PNG
(3-(2-(4-(5-chloropyridin-2-yl)piperazin-1-yl)ethyl...)
Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ccc(Cl)cn3)cnc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C21H21ClN10O/c22-14-3-4-16(24-12-14)30-8-5-29(6-9-30)7-10-31-13-25-17-19(31)27-21(23)32-20(17)26-18(28-32)15-2-1-11-33-15/h1-4,11-13H,5-10H2,(H2,23,27)
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0.900n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202773
PNG
(8-(furan-2-yl)-3-(2-(4-(4-(2-methoxyethoxy)phenyl)...)
Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccco2)CC1
Show InChI InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-17-27-21-23(33)29-25(26)34-24(21)28-22(30-34)20-3-2-14-37-20/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29)
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0.900n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202766
PNG
(3-(2-(4-(4-fluorophenyl)piperidin-1-yl)ethyl)-8-(f...)
Show SMILES Nc1nc2n(CCN3CCC(CC3)c3ccc(F)cc3)cnc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C23H23FN8O/c24-17-5-3-15(4-6-17)16-7-9-30(10-8-16)11-12-31-14-26-19-21(31)28-23(25)32-22(19)27-20(29-32)18-2-1-13-33-18/h1-6,13-14,16H,7-12H2,(H2,25,28)
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0.900n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202767
PNG
(8-(furan-2-yl)-3-(2-(4-(5-methylpyridin-2-yl)piper...)
Show SMILES Cc1ccc(nc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccco2)CC1
Show InChI InChI=1S/C22H24N10O/c1-15-4-5-17(24-13-15)30-9-6-29(7-10-30)8-11-31-14-25-18-20(31)27-22(23)32-21(18)26-19(28-32)16-3-2-12-33-16/h2-5,12-14H,6-11H2,1H3,(H2,23,27)
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1n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202789
PNG
(3-(2-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)eth...)
Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ncc(F)cn3)cnc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H20FN11O/c21-13-10-23-20(24-11-13)30-6-3-29(4-7-30)5-8-31-12-25-15-17(31)27-19(22)32-18(15)26-16(28-32)14-2-1-9-33-14/h1-2,9-12H,3-8H2,(H2,22,27)
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1.40n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50165053
PNG
(6-Furan-2-yl-9-naphthalen-2-ylmethyl-9H-purin-2-yl...)
Show SMILES Nc1nc(-c2ccco2)c2ncn(Cc3ccc4ccccc4c3)c2n1
Show InChI InChI=1S/C20H15N5O/c21-20-23-17(16-6-3-9-26-16)18-19(24-20)25(12-22-18)11-13-7-8-14-4-1-2-5-15(14)10-13/h1-10,12H,11H2,(H2,21,23,24)
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1.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against human Adenosine A2a receptor using [3H]-SCH- 58261 as radioligand expressed in HEK cell membranes


Bioorg Med Chem Lett 15: 2119-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.031
BindingDB Entry DOI: 10.7270/Q2542N3H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202772
PNG
(3-benzyl-8-(furan-2-yl)-3H-[1,2,4]triazolo[1,5-g]p...)
Show SMILES Nc1nc2n(Cc3ccccc3)cnc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C17H13N7O/c18-17-21-15-13(19-10-23(15)9-11-5-2-1-3-6-11)16-20-14(22-24(16)17)12-7-4-8-25-12/h1-8,10H,9H2,(H2,18,21)
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1.5n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202782
PNG
(8-(furan-2-yl)-3-(2-(4-(thiazol-2-yl)piperazin-1-y...)
Show SMILES Nc1nc2n(CCN3CCN(CC3)c3nccs3)cnc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H20N10OS/c20-18-24-16-14(17-23-15(25-29(17)18)13-2-1-10-30-13)22-12-28(16)9-6-26-4-7-27(8-5-26)19-21-3-11-31-19/h1-3,10-12H,4-9H2,(H2,20,24)
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1.70n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202787
PNG
(8-(furan-2-yl)-3-(2-(4-phenylpiperazin-1-yl)ethyl)...)
Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ccccc3)cnc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H23N9O/c23-22-26-20-18(21-25-19(27-31(21)22)17-7-4-14-32-17)24-15-30(20)13-10-28-8-11-29(12-9-28)16-5-2-1-3-6-16/h1-7,14-15H,8-13H2,(H2,23,26)
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1.70n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202765
PNG
(3-(2-chlorobenzyl)-8-(furan-2-yl)-3H-[1,2,4]triazo...)
Show SMILES Nc1nc2n(Cc3ccccc3Cl)cnc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C17H12ClN7O/c18-11-5-2-1-4-10(11)8-24-9-20-13-15(24)22-17(19)25-16(13)21-14(23-25)12-6-3-7-26-12/h1-7,9H,8H2,(H2,19,22)
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1.70n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202768
PNG
(8-(3-fluorophenyl)-3-(2-(4-(4-(2-methoxyethoxy)phe...)
Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2cccc(F)c2)CC1
Show InChI InChI=1S/C27H30FN9O2/c1-38-15-16-39-22-7-5-21(6-8-22)35-12-9-34(10-13-35)11-14-36-18-30-23-25(36)32-27(29)37-26(23)31-24(33-37)19-3-2-4-20(28)17-19/h2-8,17-18H,9-16H2,1H3,(H2,29,32)
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2n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50165064
PNG
(9-(2-Fluoro-4-trifluoromethyl-benzyl)-6-furan-2-yl...)
Show SMILES Nc1nc(-c2ccco2)c2ncn(Cc3ccc(cc3F)C(F)(F)F)c2n1
Show InChI InChI=1S/C17H11F4N5O/c18-11-6-10(17(19,20)21)4-3-9(11)7-26-8-23-14-13(12-2-1-5-27-12)24-16(22)25-15(14)26/h1-6,8H,7H2,(H2,22,24,25)
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2.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against human Adenosine A2a receptor using [3H]-SCH- 58261 as radioligand expressed in HEK cell membranes


Bioorg Med Chem Lett 15: 2119-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.031
BindingDB Entry DOI: 10.7270/Q2542N3H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50165063
PNG
(9-(2-Benzenesulfonylmethyl-benzyl)-6-furan-2-yl-9H...)
Show SMILES Nc1nc(-c2ccco2)c2ncn(Cc3ccccc3CS(=O)(=O)c3ccccc3)c2n1
Show InChI InChI=1S/C23H19N5O3S/c24-23-26-20(19-11-6-12-31-19)21-22(27-23)28(15-25-21)13-16-7-4-5-8-17(16)14-32(29,30)18-9-2-1-3-10-18/h1-12,15H,13-14H2,(H2,24,26,27)
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3.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against human Adenosine A2a receptor using [3H]-SCH- 58261 as radioligand expressed in HEK cell membranes


Bioorg Med Chem Lett 15: 2119-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.031
BindingDB Entry DOI: 10.7270/Q2542N3H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202785
PNG
(3-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)...)
Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2cnc3c4nc(nn4c(N)nc23)-c2ccccc2)CC1
Show InChI InChI=1S/C27H31N9O2/c1-37-17-18-38-22-9-7-21(8-10-22)34-14-11-33(12-15-34)13-16-35-19-29-23-25(35)31-27(28)36-26(23)30-24(32-36)20-5-3-2-4-6-20/h2-10,19H,11-18H2,1H3,(H2,28,31)
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3.70n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202784
PNG
(8-(furan-2-yl)-3-phenethyl-3H-[1,2,4]triazolo[1,5-...)
Show SMILES Nc1nc2n(CCc3ccccc3)cnc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15N7O/c19-18-22-16-14(17-21-15(23-25(17)18)13-7-4-10-26-13)20-11-24(16)9-8-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H2,19,22)
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4.10n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50048466
PNG
(2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...)
Show SMILES Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)
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4.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against human Adenosine A2a receptor using [3H]-SCH- 58261 as radioligand expressed in HEK cell membranes


Bioorg Med Chem Lett 15: 2119-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.031
BindingDB Entry DOI: 10.7270/Q2542N3H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50165069
PNG
(9-(2,6-Difluoro-benzyl)-6-furan-2-yl-9H-purin-2-yl...)
Show SMILES Nc1nc(-c2ccco2)c2ncn(Cc3c(F)cccc3F)c2n1
Show InChI InChI=1S/C16H11F2N5O/c17-10-3-1-4-11(18)9(10)7-23-8-20-14-13(12-5-2-6-24-12)21-16(19)22-15(14)23/h1-6,8H,7H2,(H2,19,21,22)
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4.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against human Adenosine A2a receptor using [3H]-SCH- 58261 as radioligand expressed in HEK cell membranes


Bioorg Med Chem Lett 15: 2119-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.031
BindingDB Entry DOI: 10.7270/Q2542N3H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202774
PNG
(3-(2-bromobenzyl)-8-(furan-2-yl)-3H-[1,2,4]triazol...)
Show SMILES Nc1nc2n(Cc3ccccc3Br)cnc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C17H12BrN7O/c18-11-5-2-1-4-10(11)8-24-9-20-13-15(24)22-17(19)25-16(13)21-14(23-25)12-6-3-7-26-12/h1-7,9H,8H2,(H2,19,22)
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4.60n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202776
PNG
(3-(2-(trifluoromethyl)benzyl)-8-(furan-2-yl)-3H-[1...)
Show SMILES Nc1nc2n(Cc3ccccc3C(F)(F)F)cnc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H12F3N7O/c19-18(20,21)11-5-2-1-4-10(11)8-27-9-23-13-15(27)25-17(22)28-16(13)24-14(26-28)12-6-3-7-29-12/h1-7,9H,8H2,(H2,22,25)
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4.60n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50165067
PNG
(6-Furan-2-yl-9-naphthalen-1-ylmethyl-9H-purin-2-yl...)
Show SMILES Nc1nc(-c2ccco2)c2ncn(Cc3cccc4ccccc34)c2n1
Show InChI InChI=1S/C20H15N5O/c21-20-23-17(16-9-4-10-26-16)18-19(24-20)25(12-22-18)11-14-7-3-6-13-5-1-2-8-15(13)14/h1-10,12H,11H2,(H2,21,23,24)
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5.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against human Adenosine A2a receptor using [3H]-SCH- 58261 as radioligand expressed in HEK cell membranes


Bioorg Med Chem Lett 15: 2119-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.031
BindingDB Entry DOI: 10.7270/Q2542N3H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202780
PNG
(8-(furan-2-yl)-3-propyl-3H-[1,2,4]triazolo[1,5-g]p...)
Show SMILES CCCn1cnc2c1nc(N)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C13H13N7O/c1-2-5-19-7-15-9-11(19)17-13(14)20-12(9)16-10(18-20)8-4-3-6-21-8/h3-4,6-7H,2,5H2,1H3,(H2,14,17)
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5.90n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202786
PNG
(8-(furan-2-yl)-3-(2-morpholinoethyl)-3H-[1,2,4]tri...)
Show SMILES Nc1nc2n(CCN3CCOCC3)cnc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H18N8O2/c17-16-20-14-12(15-19-13(21-24(15)16)11-2-1-7-26-11)18-10-23(14)4-3-22-5-8-25-9-6-22/h1-2,7,10H,3-6,8-9H2,(H2,17,20)
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6.30n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50165059
PNG
(9-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-6-furan-2...)
Show SMILES Nc1nc(-c2ccco2)c2ncn(Cc3cc4OCOc4cc3Cl)c2n1
Show InChI InChI=1S/C17H12ClN5O3/c18-10-5-13-12(25-8-26-13)4-9(10)6-23-7-20-15-14(11-2-1-3-24-11)21-17(19)22-16(15)23/h1-5,7H,6,8H2,(H2,19,21,22)
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6.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against human Adenosine A2a receptor using [3H]-SCH- 58261 as radioligand expressed in HEK cell membranes


Bioorg Med Chem Lett 15: 2119-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.031
BindingDB Entry DOI: 10.7270/Q2542N3H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50165052
PNG
(6-Furan-2-yl-9-(3-phenyl-propyl)-9H-purin-2-ylamin...)
Show SMILES Nc1nc(-c2ccco2)c2ncn(CCCc3ccccc3)c2n1
Show InChI InChI=1S/C18H17N5O/c19-18-21-15(14-9-5-11-24-14)16-17(22-18)23(12-20-16)10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11-12H,4,8,10H2,(H2,19,21,22)
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6.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against human Adenosine A2a receptor using [3H]-SCH- 58261 as radioligand expressed in HEK cell membranes


Bioorg Med Chem Lett 15: 2119-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.031
BindingDB Entry DOI: 10.7270/Q2542N3H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50165065
PNG
(9-(2,6-Dichloro-benzyl)-6-furan-2-yl-9H-purin-2-yl...)
Show SMILES Nc1nc(-c2ccco2)c2ncn(Cc3c(Cl)cccc3Cl)c2n1
Show InChI InChI=1S/C16H11Cl2N5O/c17-10-3-1-4-11(18)9(10)7-23-8-20-14-13(12-5-2-6-24-12)21-16(19)22-15(14)23/h1-6,8H,7H2,(H2,19,21,22)
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7.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against human Adenosine A2a receptor using [3H]-SCH- 58261 as radioligand expressed in HEK cell membranes


Bioorg Med Chem Lett 15: 2119-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.031
BindingDB Entry DOI: 10.7270/Q2542N3H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50165071
PNG
(2-amino-6-(2-furyl)-9-(4-methoxyphenylmethyl)-9Hpu...)
Show SMILES COc1ccc(Cn2cnc3c(nc(N)nc23)-c2ccco2)cc1
Show InChI InChI=1S/C17H15N5O2/c1-23-12-6-4-11(5-7-12)9-22-10-19-15-14(13-3-2-8-24-13)20-17(18)21-16(15)22/h2-8,10H,9H2,1H3,(H2,18,20,21)
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7.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against human Adenosine A2a receptor using [3H]-SCH- 58261 as radioligand expressed in HEK cell membranes


Bioorg Med Chem Lett 15: 2119-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.031
BindingDB Entry DOI: 10.7270/Q2542N3H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50165070
PNG
(9-(3-Fluoro-4-trifluoromethyl-benzyl)-6-furan-2-yl...)
Show SMILES Nc1nc(-c2ccco2)c2ncn(Cc3ccc(c(F)c3)C(F)(F)F)c2n1
Show InChI InChI=1S/C17H11F4N5O/c18-11-6-9(3-4-10(11)17(19,20)21)7-26-8-23-14-13(12-2-1-5-27-12)24-16(22)25-15(14)26/h1-6,8H,7H2,(H2,22,24,25)
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8.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against human Adenosine A2a receptor using [3H]-SCH- 58261 as radioligand expressed in HEK cell membranes


Bioorg Med Chem Lett 15: 2119-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.031
BindingDB Entry DOI: 10.7270/Q2542N3H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202792
PNG
(8-(2-fluorophenyl)-3-(2-(4-(4-(2-methoxyethoxy)phe...)
Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccccc2F)CC1
Show InChI InChI=1S/C27H30FN9O2/c1-38-16-17-39-20-8-6-19(7-9-20)35-13-10-34(11-14-35)12-15-36-18-30-23-25(36)32-27(29)37-26(23)31-24(33-37)21-4-2-3-5-22(21)28/h2-9,18H,10-17H2,1H3,(H2,29,32)
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9.30n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50165061
PNG
(6-Furan-2-yl-9-(4-isopropyl-benzyl)-9H-purin-2-yla...)
Show SMILES CC(C)c1ccc(Cn2cnc3c(nc(N)nc23)-c2ccco2)cc1
Show InChI InChI=1S/C19H19N5O/c1-12(2)14-7-5-13(6-8-14)10-24-11-21-17-16(15-4-3-9-25-15)22-19(20)23-18(17)24/h3-9,11-12H,10H2,1-2H3,(H2,20,22,23)
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10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against human Adenosine A2a receptor using [3H]-SCH- 58261 as radioligand expressed in HEK cell membranes


Bioorg Med Chem Lett 15: 2119-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.031
BindingDB Entry DOI: 10.7270/Q2542N3H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202791
PNG
(3-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)...)
Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccccc2C(F)(F)F)CC1
Show InChI InChI=1S/C28H30F3N9O2/c1-41-16-17-42-20-8-6-19(7-9-20)38-13-10-37(11-14-38)12-15-39-18-33-23-25(39)35-27(32)40-26(23)34-24(36-40)21-4-2-3-5-22(21)28(29,30)31/h2-9,18H,10-17H2,1H3,(H2,32,35)
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10n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50165062
PNG
(6-Furan-2-yl-9-(3-methoxy-benzyl)-9H-purin-2-ylami...)
Show SMILES COc1cccc(Cn2cnc3c(nc(N)nc23)-c2ccco2)c1
Show InChI InChI=1S/C17H15N5O2/c1-23-12-5-2-4-11(8-12)9-22-10-19-15-14(13-6-3-7-24-13)20-17(18)21-16(15)22/h2-8,10H,9H2,1H3,(H2,18,20,21)
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12.3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against human Adenosine A2a receptor using [3H]-SCH- 58261 as radioligand expressed in HEK cell membranes


Bioorg Med Chem Lett 15: 2119-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.031
BindingDB Entry DOI: 10.7270/Q2542N3H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202770
PNG
(3-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)...)
Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2cnc3c4nc(nn4c(N)nc23)-c2ccccn2)CC1
Show InChI InChI=1S/C26H30N10O2/c1-37-16-17-38-20-7-5-19(6-8-20)34-13-10-33(11-14-34)12-15-35-18-29-22-24(35)31-26(27)36-25(22)30-23(32-36)21-4-2-3-9-28-21/h2-9,18H,10-17H2,1H3,(H2,27,31)
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12.6n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50165056
PNG
(6-Furan-2-yl-9-(4-trifluoromethyl-benzyl)-9H-purin...)
Show SMILES Nc1nc(-c2ccco2)c2ncn(Cc3ccc(cc3)C(F)(F)F)c2n1
Show InChI InChI=1S/C17H12F3N5O/c18-17(19,20)11-5-3-10(4-6-11)8-25-9-22-14-13(12-2-1-7-26-12)23-16(21)24-15(14)25/h1-7,9H,8H2,(H2,21,23,24)
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20.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against human Adenosine A2a receptor using [3H]-SCH- 58261 as radioligand expressed in HEK cell membranes


Bioorg Med Chem Lett 15: 2119-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.031
BindingDB Entry DOI: 10.7270/Q2542N3H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202781
PNG
(3-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)...)
Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2cnc3c4nc(nn4c(N)nc23)-c2ccccc2C)CC1
Show InChI InChI=1S/C28H33N9O2/c1-20-5-3-4-6-23(20)25-31-27-24-26(32-28(29)37(27)33-25)36(19-30-24)16-13-34-11-14-35(15-12-34)21-7-9-22(10-8-21)39-18-17-38-2/h3-10,19H,11-18H2,1-2H3,(H2,29,32)
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20.5n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50165058
PNG
(9-(4-Chloro-benzyl)-6-furan-2-yl-9H-purin-2-ylamin...)
Show SMILES Nc1nc(-c2ccco2)c2ncn(Cc3ccc(Cl)cc3)c2n1
Show InChI InChI=1S/C16H12ClN5O/c17-11-5-3-10(4-6-11)8-22-9-19-14-13(12-2-1-7-23-12)20-16(18)21-15(14)22/h1-7,9H,8H2,(H2,18,20,21)
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21.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against human Adenosine A2a receptor using [3H]-SCH- 58261 as radioligand expressed in HEK cell membranes


Bioorg Med Chem Lett 15: 2119-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.031
BindingDB Entry DOI: 10.7270/Q2542N3H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50165055
PNG
(6-Furan-2-yl-9-(2-methoxy-benzyl)-9H-purin-2-ylami...)
Show SMILES COc1ccccc1Cn1cnc2c(nc(N)nc12)-c1ccco1
Show InChI InChI=1S/C17H15N5O2/c1-23-12-6-3-2-5-11(12)9-22-10-19-15-14(13-7-4-8-24-13)20-17(18)21-16(15)22/h2-8,10H,9H2,1H3,(H2,18,20,21)
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22n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against human Adenosine A2a receptor using [3H]-SCH- 58261 as radioligand expressed in HEK cell membranes


Bioorg Med Chem Lett 15: 2119-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.031
BindingDB Entry DOI: 10.7270/Q2542N3H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50165057
PNG
(6-Furan-2-yl-9-(2,4,6-trifluoro-benzyl)-9H-purin-2...)
Show SMILES Nc1nc(-c2ccco2)c2ncn(Cc3c(F)cc(F)cc3F)c2n1
Show InChI InChI=1S/C16H10F3N5O/c17-8-4-10(18)9(11(19)5-8)6-24-7-21-14-13(12-2-1-3-25-12)22-16(20)23-15(14)24/h1-5,7H,6H2,(H2,20,22,23)
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26n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against human Adenosine A2a receptor using [3H]-SCH- 58261 as radioligand expressed in HEK cell membranes


Bioorg Med Chem Lett 15: 2119-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.031
BindingDB Entry DOI: 10.7270/Q2542N3H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50165066
PNG
(9-Benzyl-6-furan-2-yl-9H-purin-2-ylamine | 9-benzy...)
Show SMILES Nc1nc(-c2ccco2)c2ncn(Cc3ccccc3)c2n1
Show InChI InChI=1S/C16H13N5O/c17-16-19-13(12-7-4-8-22-12)14-15(20-16)21(10-18-14)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,17,19,20)
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34.9n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against human Adenosine A2a receptor using [3H]-SCH- 58261 as radioligand expressed in HEK cell membranes


Bioorg Med Chem Lett 15: 2119-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.031
BindingDB Entry DOI: 10.7270/Q2542N3H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50165054
PNG
(6-Furan-2-yl-9-phenyl-9H-purin-2-ylamine | CHEMBL4...)
Show SMILES Nc1nc(-c2ccco2)c2ncn(-c3ccccc3)c2n1
Show InChI InChI=1S/C15H11N5O/c16-15-18-12(11-7-4-8-21-11)13-14(19-15)20(9-17-13)10-5-2-1-3-6-10/h1-9H,(H2,16,18,19)
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68.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against human Adenosine A2a receptor using [3H]-SCH- 58261 as radioligand expressed in HEK cell membranes


Bioorg Med Chem Lett 15: 2119-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.031
BindingDB Entry DOI: 10.7270/Q2542N3H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202778
PNG
(3-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]-piperazin-1-...)
Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2cccc[n+]2[O-])CC1
Show InChI InChI=1S/C26H30N10O3/c1-38-16-17-39-20-7-5-19(6-8-20)33-13-10-32(11-14-33)12-15-34-18-28-22-24(34)30-26(27)36-25(22)29-23(31-36)21-4-2-3-9-35(21)37/h2-9,18H,10-17H2,1H3,(H2,27,30)
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89.7n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50165068
PNG
(6-Furan-2-yl-9-phenethyl-9H-purin-2-ylamine | CHEM...)
Show SMILES Nc1nc(-c2ccco2)c2ncn(CCc3ccccc3)c2n1
Show InChI InChI=1S/C17H15N5O/c18-17-20-14(13-7-4-10-23-13)15-16(21-17)22(11-19-15)9-8-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H2,18,20,21)
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271n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against human Adenosine A2a receptor using [3H]-SCH- 58261 as radioligand expressed in HEK cell membranes


Bioorg Med Chem Lett 15: 2119-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.031
BindingDB Entry DOI: 10.7270/Q2542N3H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50165060
PNG
(6-Furan-2-yl-9-(1-phenyl-ethyl)-9H-purin-2-ylamine...)
Show SMILES CC(c1ccccc1)n1cnc2c(nc(N)nc12)-c1ccco1
Show InChI InChI=1S/C17H15N5O/c1-11(12-6-3-2-4-7-12)22-10-19-15-14(13-8-5-9-23-13)20-17(18)21-16(15)22/h2-11H,1H3,(H2,18,20,21)
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381n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against human Adenosine A2a receptor using [3H]-SCH- 58261 as radioligand expressed in HEK cell membranes


Bioorg Med Chem Lett 15: 2119-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.031
BindingDB Entry DOI: 10.7270/Q2542N3H
More data for this
Ligand-Target Pair