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10 similar compounds to monomer 50116469

Compile data set for download or QSAR
Wt: 367.4
BDBM50003021
Wt: 367.4
BDBM50003022
Wt: 367.4
BDBM50003023
Wt: 295.3
BDBM50348174
Wt: 295.3
BDBM50348175
Wt: 398.6
BDBM50348176
Wt: 321.3
BDBM50370129
Wt: 295.3
BDBM50370133
Wt: 321.3
BDBM50370134
Wt: 374.2
BDBM50397717

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 36 hits for monomerid = 50003021,50003022,50003023,50348174,50348175,50348176,50370129,50370133,50370134,50397717   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50397717
PNG
(CHEMBL2181965)
Show SMILES CCCn1c2nc(nc2c2NCCn2c1=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C16H16BrN5O/c1-2-8-21-15-12(14-18-7-9-22(14)16(21)23)19-13(20-15)10-3-5-11(17)6-4-10/h3-6,18H,2,7-9H2,1H3
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0.200n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
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 receptor A3


(Homo sapiens (Human))
BDBM50348174
PNG
(CHEMBL1625681)
Show SMILES CC[C@@H]1Cn2c(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/t11-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity against human recombinant Adenosine A3 receptor stably expressed in HEK293 cells by displacing [125I]AB-MECA radioligand


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 A3


(Homo sapiens (Human))
BDBM50348174
PNG
(CHEMBL1625681)
Show SMILES CC[C@@H]1Cn2c(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/t11-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50348174
PNG
(CHEMBL1625681)
Show SMILES CC[C@@H]1Cn2c(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/t11-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant A3 adenosine receptor by radioligand binding assay


J Med Chem 54: 5205-20 (2011)


Article DOI: 10.1021/jm2004738
BindingDB Entry DOI: 10.7270/Q21N81G6
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 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=1/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 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=1/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 receptor A3


(Homo sapiens (Human))
BDBM50370133
PNG
(CHEMBL1788234)
Show SMILES CC[C@H]1Cn2c(N1)c1nc(nc1n(C)c2=O)-c1ccccc1
Show InChI InChI=1/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/t11-/s2
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9.80n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity against human recombinant Adenosine A3 receptor stably expressed in HEK293 cells by displacing [125I]AB-MECA radioligand


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 A1


(Rattus norvegicus (rat))
BDBM50370133
PNG
(CHEMBL1788234)
Show SMILES CC[C@H]1Cn2c(N1)c1nc(nc1n(C)c2=O)-c1ccccc1
Show InChI InChI=1/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/t11-/s2
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115n/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 A1 receptor


(GUINEA PIG)
BDBM50003022
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?/m0/s1
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120n/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)
BDBM50003022
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?/m0/s1
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120n/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 A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50003022
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?/m0/s1
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250n/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))
BDBM50003022
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?/m0/s1
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250n/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))
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=1/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=1/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 A1


(Rattus norvegicus (rat))
BDBM50348174
PNG
(CHEMBL1625681)
Show SMILES CC[C@@H]1Cn2c(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/t11-/m1/s1
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440n/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 receptor A1


(Rattus norvegicus (rat))
BDBM50348174
PNG
(CHEMBL1625681)
Show SMILES CC[C@@H]1Cn2c(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/t11-/m1/s1
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440n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from rat adenosine A1 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50397717
PNG
(CHEMBL2181965)
Show SMILES CCCn1c2nc(nc2c2NCCn2c1=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C16H16BrN5O/c1-2-8-21-15-12(14-18-7-9-22(14)16(21)23)19-13(20-15)10-3-5-11(17)6-4-10/h3-6,18H,2,7-9H2,1H3
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470n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50370129
PNG
(CHEMBL1788230)
Show SMILES CC[C@@H]1Cn2c(N1)c1nc(C=Cc3ccccc3)nc1n(C)c2=O
Show InChI InChI=1/C18H19N5O/c1-3-13-11-23-17(19-13)15-16(22(2)18(23)24)21-14(20-15)10-9-12-7-5-4-6-8-12/h4-10,13,19H,3,11H2,1-2H3/b10-9+/t13-/s2
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640n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity against human recombinant Adenosine A3 receptor stably expressed in HEK293 cells by displacing [125I]AB-MECA radioligand


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 Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50370134
PNG
(CHEMBL1744045)
Show SMILES CC[C@H]1Cn2c(N1)c1nc(C=Cc3ccccc3)nc1n(C)c2=O
Show InChI InChI=1/C18H19N5O/c1-3-13-11-23-17(19-13)15-16(22(2)18(23)24)21-14(20-15)10-9-12-7-5-4-6-8-12/h4-10,13,19H,3,11H2,1-2H3/b10-9+/t13-/s2
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670n/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 A1


(Rattus norvegicus (rat))
BDBM50370134
PNG
(CHEMBL1744045)
Show SMILES CC[C@H]1Cn2c(N1)c1nc(C=Cc3ccccc3)nc1n(C)c2=O
Show InChI InChI=1/C18H19N5O/c1-3-13-11-23-17(19-13)15-16(22(2)18(23)24)21-14(20-15)10-9-12-7-5-4-6-8-12/h4-10,13,19H,3,11H2,1-2H3/b10-9+/t13-/s2
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730n/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 Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50370129
PNG
(CHEMBL1788230)
Show SMILES CC[C@@H]1Cn2c(N1)c1nc(C=Cc3ccccc3)nc1n(C)c2=O
Show InChI InChI=1/C18H19N5O/c1-3-13-11-23-17(19-13)15-16(22(2)18(23)24)21-14(20-15)10-9-12-7-5-4-6-8-12/h4-10,13,19H,3,11H2,1-2H3/b10-9+/t13-/s2
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890n/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 A1


(Rattus norvegicus (rat))
BDBM50370129
PNG
(CHEMBL1788230)
Show SMILES CC[C@@H]1Cn2c(N1)c1nc(C=Cc3ccccc3)nc1n(C)c2=O
Show InChI InChI=1/C18H19N5O/c1-3-13-11-23-17(19-13)15-16(22(2)18(23)24)21-14(20-15)10-9-12-7-5-4-6-8-12/h4-10,13,19H,3,11H2,1-2H3/b10-9+/t13-/s2
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950n/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 receptor A2a


(Homo sapiens (Human))
BDBM50348174
PNG
(CHEMBL1625681)
Show SMILES CC[C@@H]1Cn2c(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/t11-/m1/s1
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>1.28E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50348174
PNG
(CHEMBL1625681)
Show SMILES CC[C@@H]1Cn2c(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/t11-/m1/s1
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1.64E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50397717
PNG
(CHEMBL2181965)
Show SMILES CCCn1c2nc(nc2c2NCCn2c1=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C16H16BrN5O/c1-2-8-21-15-12(14-18-7-9-22(14)16(21)23)19-13(20-15)10-3-5-11(17)6-4-10/h3-6,18H,2,7-9H2,1H3
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1.80E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50348174
PNG
(CHEMBL1625681)
Show SMILES CC[C@@H]1Cn2c(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/t11-/m1/s1
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2.10E+3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from rat adenosine A2A receptor expressed in CHO cells after 60 mins by gamma counter


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50348174
PNG
(CHEMBL1625681)
Show SMILES CC[C@@H]1Cn2c(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/t11-/m1/s1
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2.10E+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 Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50370133
PNG
(CHEMBL1788234)
Show SMILES CC[C@H]1Cn2c(N1)c1nc(nc1n(C)c2=O)-c1ccccc1
Show InChI InChI=1/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/t11-/s2
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3.33E+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 A3


(Homo sapiens (Human))
BDBM50397717
PNG
(CHEMBL2181965)
Show SMILES CCCn1c2nc(nc2c2NCCn2c1=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C16H16BrN5O/c1-2-8-21-15-12(14-18-7-9-22(14)16(21)23)19-13(20-15)10-3-5-11(17)6-4-10/h3-6,18H,2,7-9H2,1H3
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n/an/a 270n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A3 receptor expressed in CHO cells by [S35]GTPgammaS binding assay


J Med Chem 55: 5676-703 (2012)


Article DOI: 10.1021/jm300087j
BindingDB Entry DOI: 10.7270/Q25H7HDK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50348175
PNG
(CHEMBL1800865)
Show SMILES CC[C@@H]1Cn2c(N1)c1nc(nc1n(C)c2=O)-c1ccccc1
Show InChI InChI=1/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/t11-/s2
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n/an/an/a 4.90n/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant A3 adenosine receptor expressed in CHO cells


J Med Chem 54: 5205-20 (2011)


Article DOI: 10.1021/jm2004738
BindingDB Entry DOI: 10.7270/Q21N81G6
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50348176
PNG
(CHEMBL1562432)
Show SMILES CC[C@@H]1Cn2c(N1)c1nc(nc1n(C)c2=O)-c1cc(Cl)cc(Cl)c1Cl
Show InChI InChI=1S/C16H14Cl3N5O/c1-3-8-6-24-15(20-8)12-14(23(2)16(24)25)22-13(21-12)9-4-7(17)5-10(18)11(9)19/h4-5,8,20H,3,6H2,1-2H3/t8-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant A3 adenosine receptor expressed CHO cells by [35S]GTPgammaS binding assay


J Med Chem 54: 5205-20 (2011)


Article DOI: 10.1021/jm2004738
BindingDB Entry DOI: 10.7270/Q21N81G6
More data for this
Ligand-Target Pair