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22 similar compounds to monomer 50003022

Compile data set for download or QSAR
Wt: 367.4
BDBM50003021
Wt: 367.4
BDBM50003023
Wt: 295.3
BDBM50116469
Wt: 371.4
BDBM50199289
Wt: 385.5
BDBM50199290
Wt: 357.4
BDBM50199294
Wt: 441.5
BDBM50199295
Wt: 399.5
BDBM50199296
Wt: 399.4
BDBM50199297
Wt: 371.4
BDBM50199298
Wt: 399.4
BDBM50199299
Wt: 357.4
BDBM50199300
Wt: 427.5
BDBM50199301
Wt: 433.5
BDBM50199302
Wt: 385.5
BDBM50199304
Displayed 1 to 15 (of 22 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 43 hits for monomerid = 50003021,50003023,50116469,50199289,50199290,50199294,50199295,50199296,50199297,50199298,50199299,50199300,50199301,50199302,50199304   
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 A1


(Rattus norvegicus (rat))
BDBM50003021
PNG
(7-Ethyl-2-(hexahydro-2,5-methano-pentalen-3a-yl)-4...)
Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CC3CC1CC(C2)C3
Show InChI InChI=1S/C21H29N5O/c1-3-5-25-18-16(17-22-15(4-2)11-26(17)20(25)27)23-19(24-18)21-9-12-6-13(10-21)8-14(21)7-12/h12-15,22H,3-11H2,1-2H3/t12?,13?,14?,15-,21?/m1/s1
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0.560n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for binding affinity against Adenosine A1 receptor from rat forebrain membranes, using N6-[3H]- cyclohexyladenosine as radioligand


J Med Chem 36: 2508-18 (1993)


Article DOI: 10.1021/jm00069a009
BindingDB Entry DOI: 10.7270/Q2GX4C5K
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50003021
PNG
(7-Ethyl-2-(hexahydro-2,5-methano-pentalen-3a-yl)-4...)
Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CC3CC1CC(C2)C3
Show InChI InChI=1S/C21H29N5O/c1-3-5-25-18-16(17-22-15(4-2)11-26(17)20(25)27)23-19(24-18)21-9-12-6-13(10-21)8-14(21)7-12/h12-15,22H,3-11H2,1-2H3/t12?,13?,14?,15-,21?/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Adenosine A1 receptor using N6-[3H]-cyclohexyladenosine in guinea pig forebrain membranes


J Med Chem 35: 3578-81 (1992)


Article DOI: 10.1021/jm00097a016
BindingDB Entry DOI: 10.7270/Q28K781C
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50003021
PNG
(7-Ethyl-2-(hexahydro-2,5-methano-pentalen-3a-yl)-4...)
Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CC3CC1CC(C2)C3
Show InChI InChI=1S/C21H29N5O/c1-3-5-25-18-16(17-22-15(4-2)11-26(17)20(25)27)23-19(24-18)21-9-12-6-13(10-21)8-14(21)7-12/h12-15,22H,3-11H2,1-2H3/t12?,13?,14?,15-,21?/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from guinea pig forebrain membranes by N6-[3H]- cyclohexyladenosine displacement.


J Med Chem 36: 2508-18 (1993)


Article DOI: 10.1021/jm00069a009
BindingDB Entry DOI: 10.7270/Q2GX4C5K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50199290
PNG
((R)-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-8-isopro...)
Show SMILES CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)C)C12CCC(O)(CC1)CC2
Show InChI InChI=1S/C21H31N5O2/c1-4-11-25-17-15(16-22-14(13(2)3)12-26(16)19(25)27)23-18(24-17)20-5-8-21(28,9-6-20)10-7-20/h13-14,22,28H,4-12H2,1-3H3/t14-,20?,21?/m0/s1
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4n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex


J Med Chem 49: 7132-9 (2006)


Article DOI: 10.1021/jm060539t
BindingDB Entry DOI: 10.7270/Q28W3CZ9
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50003023
PNG
(7-Ethyl-2-(hexahydro-2,5-methano-pentalen-3a-yl)-4...)
Show SMILES CCCn1c2nc(nc2c2NC(CC)Cn2c1=O)C12CC3CC1CC(C2)C3
Show InChI InChI=1S/C21H29N5O/c1-3-5-25-18-16(17-22-15(4-2)11-26(17)20(25)27)23-19(24-18)21-9-12-6-13(10-21)8-14(21)7-12/h12-15,22H,3-11H2,1-2H3
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5.70n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor from guinea pig forebrain membranes by N6-[3H]- cyclohexyladenosine displacement.


J Med Chem 36: 2508-18 (1993)


Article DOI: 10.1021/jm00069a009
BindingDB Entry DOI: 10.7270/Q2GX4C5K
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50003023
PNG
(7-Ethyl-2-(hexahydro-2,5-methano-pentalen-3a-yl)-4...)
Show SMILES CCCn1c2nc(nc2c2NC(CC)Cn2c1=O)C12CC3CC1CC(C2)C3
Show InChI InChI=1S/C21H29N5O/c1-3-5-25-18-16(17-22-15(4-2)11-26(17)20(25)27)23-19(24-18)21-9-12-6-13(10-21)8-14(21)7-12/h12-15,22H,3-11H2,1-2H3
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5.70n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towardsAdenosine A1 receptor using N6-[3H]-cyclohexyladenosine in guinea pig forebrain membranes


J Med Chem 35: 3578-81 (1992)


Article DOI: 10.1021/jm00097a016
BindingDB Entry DOI: 10.7270/Q28K781C
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50199289
PNG
((R)-8-ethyl-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-...)
Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(O)(CC1)CC2
Show InChI InChI=1S/C20H29N5O2/c1-3-11-24-16-14(15-21-13(4-2)12-25(15)18(24)26)22-17(23-16)19-5-8-20(27,9-6-19)10-7-19/h13,21,27H,3-12H2,1-2H3/t13-,19?,20?/m1/s1
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6n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex


J Med Chem 49: 7132-9 (2006)


Article DOI: 10.1021/jm060539t
BindingDB Entry DOI: 10.7270/Q28W3CZ9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50199301
PNG
((R)-3-(4-(8-ethyl-5-oxo-4-propyl-4,5,7,8-tetrahydr...)
Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(CCC(O)=O)(CC1)CC2
Show InChI InChI=1S/C23H33N5O3/c1-3-13-27-19-17(18-24-15(4-2)14-28(18)21(27)31)25-20(26-19)23-10-7-22(8-11-23,9-12-23)6-5-16(29)30/h15,24H,3-14H2,1-2H3,(H,29,30)/t15-,22?,23?/m1/s1
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8.40n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex


J Med Chem 49: 7132-9 (2006)


Article DOI: 10.1021/jm060539t
BindingDB Entry DOI: 10.7270/Q28W3CZ9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50199294
PNG
((R)-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-8-methyl...)
Show SMILES CCCn1c2nc(nc2c2N[C@H](C)Cn2c1=O)C12CCC(O)(CC1)CC2
Show InChI InChI=1S/C19H27N5O2/c1-3-10-23-15-13(14-20-12(2)11-24(14)17(23)25)21-16(22-15)18-4-7-19(26,8-5-18)9-6-18/h12,20,26H,3-11H2,1-2H3/t12-,18?,19?/m1/s1
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10n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex


J Med Chem 49: 7132-9 (2006)


Article DOI: 10.1021/jm060539t
BindingDB Entry DOI: 10.7270/Q28W3CZ9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50199295
PNG
((R)-3-(4-(8-isopropyl-5-oxo-4-propyl-4,5,7,8-tetra...)
Show SMILES CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)C)C12CCC(CCC(O)=O)(CC1)CC2
Show InChI InChI=1S/C24H35N5O3/c1-4-13-28-20-18(19-25-16(15(2)3)14-29(19)22(28)32)26-21(27-20)24-10-7-23(8-11-24,9-12-24)6-5-17(30)31/h15-16,25H,4-14H2,1-3H3,(H,30,31)/t16-,23?,24?/m0/s1
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11n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex


J Med Chem 49: 7132-9 (2006)


Article DOI: 10.1021/jm060539t
BindingDB Entry DOI: 10.7270/Q28W3CZ9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50199289
PNG
((R)-8-ethyl-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-...)
Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(O)(CC1)CC2
Show InChI InChI=1S/C20H29N5O2/c1-3-11-24-16-14(15-21-13(4-2)12-25(15)18(24)26)22-17(23-16)19-5-8-20(27,9-6-19)10-7-19/h13,21,27H,3-12H2,1-2H3/t13-,19?,20?/m1/s1
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22n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ABA from human adenosine A1 receptor


J Med Chem 49: 7132-9 (2006)


Article DOI: 10.1021/jm060539t
BindingDB Entry DOI: 10.7270/Q28W3CZ9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50199301
PNG
((R)-3-(4-(8-ethyl-5-oxo-4-propyl-4,5,7,8-tetrahydr...)
Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(CCC(O)=O)(CC1)CC2
Show InChI InChI=1S/C23H33N5O3/c1-3-13-27-19-17(18-24-15(4-2)14-28(18)21(27)31)25-20(26-19)23-10-7-22(8-11-23,9-12-23)6-5-16(29)30/h15,24H,3-14H2,1-2H3,(H,29,30)/t15-,22?,23?/m1/s1
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35n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ABA from human adenosine A1 receptor


J Med Chem 49: 7132-9 (2006)


Article DOI: 10.1021/jm060539t
BindingDB Entry DOI: 10.7270/Q28W3CZ9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50199290
PNG
((R)-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-8-isopro...)
Show SMILES CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)C)C12CCC(O)(CC1)CC2
Show InChI InChI=1S/C21H31N5O2/c1-4-11-25-17-15(16-22-14(13(2)3)12-26(16)19(25)27)23-18(24-17)20-5-8-21(28,9-6-20)10-7-20/h13-14,22,28H,4-12H2,1-3H3/t14-,20?,21?/m0/s1
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35n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ABA from human adenosine A1 receptor


J Med Chem 49: 7132-9 (2006)


Article DOI: 10.1021/jm060539t
BindingDB Entry DOI: 10.7270/Q28W3CZ9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50199299
PNG
((R)-4-(8-ethyl-5-oxo-4-propyl-4,5,7,8-tetrahydro-1...)
Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(CC1)(CC2)C(O)=O
Show InChI InChI=1S/C21H29N5O3/c1-3-11-25-16-14(15-22-13(4-2)12-26(15)19(25)29)23-17(24-16)20-5-8-21(9-6-20,10-7-20)18(27)28/h13,22H,3-12H2,1-2H3,(H,27,28)/t13-,20?,21?/m1/s1
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40n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex


J Med Chem 49: 7132-9 (2006)


Article DOI: 10.1021/jm060539t
BindingDB Entry DOI: 10.7270/Q28W3CZ9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50199304
PNG
((R)-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-4,8-dipr...)
Show SMILES CCC[C@@H]1Cn2c(N1)c1nc(nc1n(CCC)c2=O)C12CCC(O)(CC1)CC2
Show InChI InChI=1S/C21H31N5O2/c1-3-5-14-13-26-16(22-14)15-17(25(12-4-2)19(26)27)24-18(23-15)20-6-9-21(28,10-7-20)11-8-20/h14,22,28H,3-13H2,1-2H3/t14-,20?,21?/m1/s1
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43n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex


J Med Chem 49: 7132-9 (2006)


Article DOI: 10.1021/jm060539t
BindingDB Entry DOI: 10.7270/Q28W3CZ9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50199295
PNG
((R)-3-(4-(8-isopropyl-5-oxo-4-propyl-4,5,7,8-tetra...)
Show SMILES CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)C)C12CCC(CCC(O)=O)(CC1)CC2
Show InChI InChI=1S/C24H35N5O3/c1-4-13-28-20-18(19-25-16(15(2)3)14-29(19)22(28)32)26-21(27-20)24-10-7-23(8-11-24,9-12-24)6-5-17(30)31/h15-16,25H,4-14H2,1-3H3,(H,30,31)/t16-,23?,24?/m0/s1
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45n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ABA from human adenosine A1 receptor


J Med Chem 49: 7132-9 (2006)


Article DOI: 10.1021/jm060539t
BindingDB Entry DOI: 10.7270/Q28W3CZ9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50199300
PNG
((R)-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-7-methyl...)
Show SMILES CCCn1c2nc(nc2c2NC[C@@H](C)n2c1=O)C12CCC(O)(CC1)CC2
Show InChI InChI=1S/C19H27N5O2/c1-3-10-23-15-13(14-20-11-12(2)24(14)17(23)25)21-16(22-15)18-4-7-19(26,8-5-18)9-6-18/h12,20,26H,3-11H2,1-2H3/t12-,18?,19?/m1/s1
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51n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex


J Med Chem 49: 7132-9 (2006)


Article DOI: 10.1021/jm060539t
BindingDB Entry DOI: 10.7270/Q28W3CZ9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50199294
PNG
((R)-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-8-methyl...)
Show SMILES CCCn1c2nc(nc2c2N[C@H](C)Cn2c1=O)C12CCC(O)(CC1)CC2
Show InChI InChI=1S/C19H27N5O2/c1-3-10-23-15-13(14-20-12(2)11-24(14)17(23)25)21-16(22-15)18-4-7-19(26,8-5-18)9-6-18/h12,20,26H,3-11H2,1-2H3/t12-,18?,19?/m1/s1
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60n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ABA from human adenosine A1 receptor


J Med Chem 49: 7132-9 (2006)


Article DOI: 10.1021/jm060539t
BindingDB Entry DOI: 10.7270/Q28W3CZ9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50199298
PNG
((S)-8-ethyl-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-...)
Show SMILES CCCn1c2nc(nc2c2N[C@@H](CC)Cn2c1=O)C12CCC(O)(CC1)CC2
Show InChI InChI=1S/C20H29N5O2/c1-3-11-24-16-14(15-21-13(4-2)12-25(15)18(24)26)22-17(23-16)19-5-8-20(27,9-6-19)10-7-19/h13,21,27H,3-12H2,1-2H3/t13-,19?,20?/m0/s1
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>100n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex


J Med Chem 49: 7132-9 (2006)


Article DOI: 10.1021/jm060539t
BindingDB Entry DOI: 10.7270/Q28W3CZ9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50199296
PNG
((R)-8-tert-butyl-2-(4-hydroxybicyclo[2.2.2]octan-1...)
Show SMILES CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)(C)C)C12CCC(O)(CC1)CC2
Show InChI InChI=1S/C22H33N5O2/c1-5-12-26-17-15(16-23-14(20(2,3)4)13-27(16)19(26)28)24-18(25-17)21-6-9-22(29,10-7-21)11-8-21/h14,23,29H,5-13H2,1-4H3/t14-,21?,22?/m0/s1
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155n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex


J Med Chem 49: 7132-9 (2006)


Article DOI: 10.1021/jm060539t
BindingDB Entry DOI: 10.7270/Q28W3CZ9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50199297
PNG
((S)-4-(8-ethyl-5-oxo-4-propyl-4,5,7,8-tetrahydro-1...)
Show SMILES CCCn1c2nc(nc2c2N[C@@H](CC)Cn2c1=O)C12CCC(CC1)(CC2)C(O)=O
Show InChI InChI=1S/C21H29N5O3/c1-3-11-25-16-14(15-22-13(4-2)12-26(15)19(25)29)23-17(24-16)20-5-8-21(9-6-20,10-7-20)18(27)28/h13,22H,3-12H2,1-2H3,(H,27,28)/t13-,20?,21?/m0/s1
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>250n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex


J Med Chem 49: 7132-9 (2006)


Article DOI: 10.1021/jm060539t
BindingDB Entry DOI: 10.7270/Q28W3CZ9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50116469
PNG
(7-Ethyl-4-methyl-2-phenyl-1,4,6,7-tetrahydro-1,3,4...)
Show SMILES CCC1Cn2c(N1)c1nc(nc1n(C)c2=O)-c1ccccc1
Show InChI InChI=1S/C16H17N5O/c1-3-11-9-21-15(17-11)12-14(20(2)16(21)22)19-13(18-12)10-7-5-4-6-8-10/h4-8,11,17H,3,9H2,1-2H3
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265n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor by displacing [3H]CHA radioligand in rat brain cortical membrane


J Med Chem 45: 3440-50 (2002)


Article DOI: 10.1021/jm011093d
BindingDB Entry DOI: 10.7270/Q2PC333B
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50003021
PNG
(7-Ethyl-2-(hexahydro-2,5-methano-pentalen-3a-yl)-4...)
Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CC3CC1CC(C2)C3
Show InChI InChI=1S/C21H29N5O/c1-3-5-25-18-16(17-22-15(4-2)11-26(17)20(25)27)23-19(24-18)21-9-12-6-13(10-21)8-14(21)7-12/h12-15,22H,3-11H2,1-2H3/t12?,13?,14?,15-,21?/m1/s1
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290n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at Adenosine A2 receptor from rat striatal membranes by N-[3H] ethyladenosin-5'- uronamide displacement.


J Med Chem 36: 2508-18 (1993)


Article DOI: 10.1021/jm00069a009
BindingDB Entry DOI: 10.7270/Q2GX4C5K
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50003021
PNG
(7-Ethyl-2-(hexahydro-2,5-methano-pentalen-3a-yl)-4...)
Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CC3CC1CC(C2)C3
Show InChI InChI=1S/C21H29N5O/c1-3-5-25-18-16(17-22-15(4-2)11-26(17)20(25)27)23-19(24-18)21-9-12-6-13(10-21)8-14(21)7-12/h12-15,22H,3-11H2,1-2H3/t12?,13?,14?,15-,21?/m1/s1
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290n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Adenosine A2 receptor using N-[3H]-ethyladenosin-5''-uronamide in guinea pig forebrain membranes


J Med Chem 35: 3578-81 (1992)


Article DOI: 10.1021/jm00097a016
BindingDB Entry DOI: 10.7270/Q28K781C
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50003023
PNG
(7-Ethyl-2-(hexahydro-2,5-methano-pentalen-3a-yl)-4...)
Show SMILES CCCn1c2nc(nc2c2NC(CC)Cn2c1=O)C12CC3CC1CC(C2)C3
Show InChI InChI=1S/C21H29N5O/c1-3-5-25-18-16(17-22-15(4-2)11-26(17)20(25)27)23-19(24-18)21-9-12-6-13(10-21)8-14(21)7-12/h12-15,22H,3-11H2,1-2H3
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330n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at Adenosine A2 receptor from rat striatal membranes by N-[3H] ethyladenosin-5'- uronamide displacement.


J Med Chem 36: 2508-18 (1993)


Article DOI: 10.1021/jm00069a009
BindingDB Entry DOI: 10.7270/Q2GX4C5K
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50003023
PNG
(7-Ethyl-2-(hexahydro-2,5-methano-pentalen-3a-yl)-4...)
Show SMILES CCCn1c2nc(nc2c2NC(CC)Cn2c1=O)C12CC3CC1CC(C2)C3
Show InChI InChI=1S/C21H29N5O/c1-3-5-25-18-16(17-22-15(4-2)11-26(17)20(25)27)23-19(24-18)21-9-12-6-13(10-21)8-14(21)7-12/h12-15,22H,3-11H2,1-2H3
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330n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards Adenosine A2 receptor using N-[3H]-ethyladenosin-5''-uronamide in guinea pig forebrain membranes


J Med Chem 35: 3578-81 (1992)


Article DOI: 10.1021/jm00097a016
BindingDB Entry DOI: 10.7270/Q28K781C
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50199289
PNG
((R)-8-ethyl-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-...)
Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(O)(CC1)CC2
Show InChI InChI=1S/C20H29N5O2/c1-3-11-24-16-14(15-21-13(4-2)12-25(15)18(24)26)22-17(23-16)19-5-8-20(27,9-6-19)10-7-19/h13,21,27H,3-12H2,1-2H3/t13-,19?,20?/m1/s1
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580n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]3-(4-aminobenzyl)-8-phenyloxyacetate-1-propyl-xanthine from human adenosine A2B receptor


J Med Chem 49: 7132-9 (2006)


Article DOI: 10.1021/jm060539t
BindingDB Entry DOI: 10.7270/Q28W3CZ9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50199302
PNG
((R)-8-benzyl-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)...)
Show SMILES CCCn1c2nc(nc2c2N[C@H](Cc3ccccc3)Cn2c1=O)C12CCC(O)(CC1)CC2
Show InChI InChI=1S/C25H31N5O2/c1-2-14-29-21-19(27-22(28-21)24-8-11-25(32,12-9-24)13-10-24)20-26-18(16-30(20)23(29)31)15-17-6-4-3-5-7-17/h3-7,18,26,32H,2,8-16H2,1H3/t18-,24?,25?/m1/s1
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710n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex


J Med Chem 49: 7132-9 (2006)


Article DOI: 10.1021/jm060539t
BindingDB Entry DOI: 10.7270/Q28W3CZ9
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50199290
PNG
((R)-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-8-isopro...)
Show SMILES CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)C)C12CCC(O)(CC1)CC2
Show InChI InChI=1S/C21H31N5O2/c1-4-11-25-17-15(16-22-14(13(2)3)12-26(16)19(25)27)23-18(24-17)20-5-8-21(28,9-6-20)10-7-20/h13-14,22,28H,4-12H2,1-3H3/t14-,20?,21?/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from adenosine A2A receptor in rat striatal membrane


J Med Chem 49: 7132-9 (2006)


Article DOI: 10.1021/jm060539t
BindingDB Entry DOI: 10.7270/Q28W3CZ9
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50199290
PNG
((R)-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-8-isopro...)
Show SMILES CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)C)C12CCC(O)(CC1)CC2
Show InChI InChI=1S/C21H31N5O2/c1-4-11-25-17-15(16-22-14(13(2)3)12-26(16)19(25)27)23-18(24-17)20-5-8-21(28,9-6-20)10-7-20/h13-14,22,28H,4-12H2,1-3H3/t14-,20?,21?/m0/s1
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1.60E+3n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ZM241385 from human adenosine A2A receptor


J Med Chem 49: 7132-9 (2006)


Article DOI: 10.1021/jm060539t
BindingDB Entry DOI: 10.7270/Q28W3CZ9
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50199301
PNG
((R)-3-(4-(8-ethyl-5-oxo-4-propyl-4,5,7,8-tetrahydr...)
Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(CCC(O)=O)(CC1)CC2
Show InChI InChI=1S/C23H33N5O3/c1-3-13-27-19-17(18-24-15(4-2)14-28(18)21(27)31)25-20(26-19)23-10-7-22(8-11-23,9-12-23)6-5-16(29)30/h15,24H,3-14H2,1-2H3,(H,29,30)/t15-,22?,23?/m1/s1
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1.90E+3n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]3-(4-aminobenzyl)-8-phenyloxyacetate-1-propyl-xanthine from human adenosine A2B receptor


J Med Chem 49: 7132-9 (2006)


Article DOI: 10.1021/jm060539t
BindingDB Entry DOI: 10.7270/Q28W3CZ9
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50199290
PNG
((R)-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-8-isopro...)
Show SMILES CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)C)C12CCC(O)(CC1)CC2
Show InChI InChI=1S/C21H31N5O2/c1-4-11-25-17-15(16-22-14(13(2)3)12-26(16)19(25)27)23-18(24-17)20-5-8-21(28,9-6-20)10-7-20/h13-14,22,28H,4-12H2,1-3H3/t14-,20?,21?/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]3-(4-aminobenzyl)-8-phenyloxyacetate-1-propyl-xanthine from human adenosine A2B receptor


J Med Chem 49: 7132-9 (2006)


Article DOI: 10.1021/jm060539t
BindingDB Entry DOI: 10.7270/Q28W3CZ9
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50199294
PNG
((R)-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-8-methyl...)
Show SMILES CCCn1c2nc(nc2c2N[C@H](C)Cn2c1=O)C12CCC(O)(CC1)CC2
Show InChI InChI=1S/C19H27N5O2/c1-3-10-23-15-13(14-20-12(2)11-24(14)17(23)25)21-16(22-15)18-4-7-19(26,8-5-18)9-6-18/h12,20,26H,3-11H2,1-2H3/t12-,18?,19?/m1/s1
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2.20E+3n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]3-(4-aminobenzyl)-8-phenyloxyacetate-1-propyl-xanthine from human adenosine A2B receptor


J Med Chem 49: 7132-9 (2006)


Article DOI: 10.1021/jm060539t
BindingDB Entry DOI: 10.7270/Q28W3CZ9
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50199289
PNG
((R)-8-ethyl-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-...)
Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(O)(CC1)CC2
Show InChI InChI=1S/C20H29N5O2/c1-3-11-24-16-14(15-21-13(4-2)12-25(15)18(24)26)22-17(23-16)19-5-8-20(27,9-6-19)10-7-19/h13,21,27H,3-12H2,1-2H3/t13-,19?,20?/m1/s1
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2.70E+3n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from adenosine A2A receptor in rat striatal membrane


J Med Chem 49: 7132-9 (2006)


Article DOI: 10.1021/jm060539t
BindingDB Entry DOI: 10.7270/Q28W3CZ9
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50199295
PNG
((R)-3-(4-(8-isopropyl-5-oxo-4-propyl-4,5,7,8-tetra...)
Show SMILES CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)C)C12CCC(CCC(O)=O)(CC1)CC2
Show InChI InChI=1S/C24H35N5O3/c1-4-13-28-20-18(19-25-16(15(2)3)14-29(19)22(28)32)26-21(27-20)24-10-7-23(8-11-24,9-12-24)6-5-17(30)31/h15-16,25H,4-14H2,1-3H3,(H,30,31)/t16-,23?,24?/m0/s1
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3.10E+3n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]3-(4-aminobenzyl)-8-phenyloxyacetate-1-propyl-xanthine from human adenosine A2B receptor


J Med Chem 49: 7132-9 (2006)


Article DOI: 10.1021/jm060539t
BindingDB Entry DOI: 10.7270/Q28W3CZ9
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50116469
PNG
(7-Ethyl-4-methyl-2-phenyl-1,4,6,7-tetrahydro-1,3,4...)
Show SMILES CCC1Cn2c(N1)c1nc(nc1n(C)c2=O)-c1ccccc1
Show InChI InChI=1S/C16H17N5O/c1-3-11-9-21-15(17-11)12-14(20(2)16(21)22)19-13(18-12)10-7-5-4-6-8-10/h4-8,11,17H,3,9H2,1-2H3
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3.10E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity to the adenosine A2A receptor by displacement of [3H]CGS-21680 in rat brain striatal membrane


J Med Chem 45: 3440-50 (2002)


Article DOI: 10.1021/jm011093d
BindingDB Entry DOI: 10.7270/Q2PC333B
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50199289
PNG
((R)-8-ethyl-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-...)
Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(O)(CC1)CC2
Show InChI InChI=1S/C20H29N5O2/c1-3-11-24-16-14(15-21-13(4-2)12-25(15)18(24)26)22-17(23-16)19-5-8-20(27,9-6-19)10-7-19/h13,21,27H,3-12H2,1-2H3/t13-,19?,20?/m1/s1
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4.40E+3n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ZM241385 from human adenosine A2A receptor


J Med Chem 49: 7132-9 (2006)


Article DOI: 10.1021/jm060539t
BindingDB Entry DOI: 10.7270/Q28W3CZ9
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50199289
PNG
((R)-8-ethyl-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-...)
Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(O)(CC1)CC2
Show InChI InChI=1S/C20H29N5O2/c1-3-11-24-16-14(15-21-13(4-2)12-25(15)18(24)26)22-17(23-16)19-5-8-20(27,9-6-19)10-7-19/h13,21,27H,3-12H2,1-2H3/t13-,19?,20?/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ABA from human adenosine A3 receptor


J Med Chem 49: 7132-9 (2006)


Article DOI: 10.1021/jm060539t
BindingDB Entry DOI: 10.7270/Q28W3CZ9
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50199301
PNG
((R)-3-(4-(8-ethyl-5-oxo-4-propyl-4,5,7,8-tetrahydr...)
Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(CCC(O)=O)(CC1)CC2
Show InChI InChI=1S/C23H33N5O3/c1-3-13-27-19-17(18-24-15(4-2)14-28(18)21(27)31)25-20(26-19)23-10-7-22(8-11-23,9-12-23)6-5-16(29)30/h15,24H,3-14H2,1-2H3,(H,29,30)/t15-,22?,23?/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ABA from human adenosine A3 receptor


J Med Chem 49: 7132-9 (2006)


Article DOI: 10.1021/jm060539t
BindingDB Entry DOI: 10.7270/Q28W3CZ9
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50199295
PNG
((R)-3-(4-(8-isopropyl-5-oxo-4-propyl-4,5,7,8-tetra...)
Show SMILES CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)C)C12CCC(CCC(O)=O)(CC1)CC2
Show InChI InChI=1S/C24H35N5O3/c1-4-13-28-20-18(19-25-16(15(2)3)14-29(19)22(28)32)26-21(27-20)24-10-7-23(8-11-24,9-12-24)6-5-17(30)31/h15-16,25H,4-14H2,1-3H3,(H,30,31)/t16-,23?,24?/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ABA from human adenosine A3 receptor


J Med Chem 49: 7132-9 (2006)


Article DOI: 10.1021/jm060539t
BindingDB Entry DOI: 10.7270/Q28W3CZ9
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50199301
PNG
((R)-3-(4-(8-ethyl-5-oxo-4-propyl-4,5,7,8-tetrahydr...)
Show SMILES CCCn1c2nc(nc2c2N[C@H](CC)Cn2c1=O)C12CCC(CCC(O)=O)(CC1)CC2
Show InChI InChI=1S/C23H33N5O3/c1-3-13-27-19-17(18-24-15(4-2)14-28(18)21(27)31)25-20(26-19)23-10-7-22(8-11-23,9-12-23)6-5-16(29)30/h15,24H,3-14H2,1-2H3,(H,29,30)/t15-,22?,23?/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ZM241385 from human adenosine A2A receptor


J Med Chem 49: 7132-9 (2006)


Article DOI: 10.1021/jm060539t
BindingDB Entry DOI: 10.7270/Q28W3CZ9
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50199290
PNG
((R)-2-(4-hydroxybicyclo[2.2.2]octan-1-yl)-8-isopro...)
Show SMILES CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)C)C12CCC(O)(CC1)CC2
Show InChI InChI=1S/C21H31N5O2/c1-4-11-25-17-15(16-22-14(13(2)3)12-26(16)19(25)27)23-18(24-17)20-5-8-21(28,9-6-20)10-7-20/h13-14,22,28H,4-12H2,1-3H3/t14-,20?,21?/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ABA from human adenosine A3 receptor


J Med Chem 49: 7132-9 (2006)


Article DOI: 10.1021/jm060539t
BindingDB Entry DOI: 10.7270/Q28W3CZ9
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50199295
PNG
((R)-3-(4-(8-isopropyl-5-oxo-4-propyl-4,5,7,8-tetra...)
Show SMILES CCCn1c2nc(nc2c2N[C@@H](Cn2c1=O)C(C)C)C12CCC(CCC(O)=O)(CC1)CC2
Show InChI InChI=1S/C24H35N5O3/c1-4-13-28-20-18(19-25-16(15(2)3)14-29(19)22(28)32)26-21(27-20)24-10-7-23(8-11-24,9-12-24)6-5-17(30)31/h15-16,25H,4-14H2,1-3H3,(H,30,31)/t16-,23?,24?/m0/s1
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1.80E+4n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ZM241385 from human adenosine A2A receptor


J Med Chem 49: 7132-9 (2006)


Article DOI: 10.1021/jm060539t
BindingDB Entry DOI: 10.7270/Q28W3CZ9
More data for this
Ligand-Target Pair