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Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50015289   
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))
BDBM50585018
PNG
(CHEMBL5075422)
Show SMILES Cn1cc(ccc1=O)-c1cnc(N)n2nc(nc12)-c1ccco1
PDB
MMDB

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5.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] ZM241385 from human recombinant A2A adenosine receptor expressed in HeLa cells incubated for 30 mins by radioligand binding comp...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50585021
PNG
(CHEMBL5079363)
Show SMILES Cc1cnc(s1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1
PDB

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22n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] DPCPX from human recombinant A1 adenosine receptor expressed in CHO cells incubated for 60 mins by radioligand binding competiti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50585018
PNG
(CHEMBL5075422)
Show SMILES Cn1cc(ccc1=O)-c1cnc(N)n2nc(nc12)-c1ccco1
PDB

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24n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] DPCPX from human recombinant A1 adenosine receptor expressed in CHO cells incubated for 60 mins by radioligand binding competiti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50585027
PNG
(CHEMBL5076643)
Show SMILES Cn1cc(ccc1=O)-c1cnc(N)nc1-c1ccco1
PDB
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27n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] ZM241385 from human recombinant A2A adenosine receptor expressed in HeLa cells incubated for 30 mins by radioligand binding comp...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50585019
PNG
(CHEMBL5074137)
Show SMILES Cn1cc(ccc1=O)-c1cnc(N)n2nc(nc12)-c1ccccn1
PDB

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38n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] DPCPX from human recombinant A1 adenosine receptor expressed in CHO cells incubated for 60 mins by radioligand binding competiti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50585021
PNG
(CHEMBL5079363)
Show SMILES Cc1cnc(s1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1
PDB
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44n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] ZM241385 from human recombinant A2A adenosine receptor expressed in HeLa cells incubated for 30 mins by radioligand binding comp...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50585027
PNG
(CHEMBL5076643)
Show SMILES Cn1cc(ccc1=O)-c1cnc(N)nc1-c1ccco1
PDB

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59n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] DPCPX from human recombinant A2B adenosine receptor expressed in HEK293 cells incubated for 30 mins by radioligand binding compe...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50585019
PNG
(CHEMBL5074137)
Show SMILES Cn1cc(ccc1=O)-c1cnc(N)n2nc(nc12)-c1ccccn1
PDB
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62n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] ZM241385 from human recombinant A2A adenosine receptor expressed in HeLa cells incubated for 30 mins by radioligand binding comp...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50585020
PNG
(CHEMBL5071873)
Show SMILES Cn1cc(ccc1=O)-c1cnc(N)n2nc(nc12)-c1nccs1
PDB

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78n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] DPCPX from human recombinant A1 adenosine receptor expressed in CHO cells incubated for 60 mins by radioligand binding competiti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50585020
PNG
(CHEMBL5071873)
Show SMILES Cn1cc(ccc1=O)-c1cnc(N)n2nc(nc12)-c1nccs1
PDB
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85n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] ZM241385 from human recombinant A2A adenosine receptor expressed in HeLa cells incubated for 30 mins by radioligand binding comp...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50585022
PNG
(CHEMBL5076059)
Show SMILES Cc1ccc(o1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1
PDB

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88n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] DPCPX from human recombinant A1 adenosine receptor expressed in CHO cells incubated for 60 mins by radioligand binding competiti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50585027
PNG
(CHEMBL5076643)
Show SMILES Cn1cc(ccc1=O)-c1cnc(N)nc1-c1ccco1
PDB

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89n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] DPCPX from human recombinant A1 adenosine receptor expressed in CHO cells incubated for 60 mins by radioligand binding competiti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50585022
PNG
(CHEMBL5076059)
Show SMILES Cc1ccc(o1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1
PDB
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448n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] ZM241385 from human recombinant A2A adenosine receptor expressed in HeLa cells incubated for 30 mins by radioligand binding comp...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50585018
PNG
(CHEMBL5075422)
Show SMILES Cn1cc(ccc1=O)-c1cnc(N)n2nc(nc12)-c1ccco1
PDB

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491n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] DPCPX from human recombinant A2B adenosine receptor expressed in HEK293 cells incubated for 30 mins by radioligand binding compe...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50585024
PNG
(CHEMBL5091575)
Show SMILES Cn1ccc(n1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1
PDB

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722n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] DPCPX from human recombinant A1 adenosine receptor expressed in CHO cells incubated for 60 mins by radioligand binding competiti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50585026
PNG
(CHEMBL5074874)
Show SMILES Cn1nccc1-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1
PDB
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797n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] ZM241385 from human recombinant A2A adenosine receptor expressed in HeLa cells incubated for 30 mins by radioligand binding comp...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50585023
PNG
(CHEMBL5075275)
Show SMILES Cc1csc(n1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1
PDB

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926n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] DPCPX from human recombinant A1 adenosine receptor expressed in CHO cells incubated for 60 mins by radioligand binding competiti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50585023
PNG
(CHEMBL5075275)
Show SMILES Cc1csc(n1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1
PDB
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1.03E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] ZM241385 from human recombinant A2A adenosine receptor expressed in HeLa cells incubated for 30 mins by radioligand binding comp...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50585020
PNG
(CHEMBL5071873)
Show SMILES Cn1cc(ccc1=O)-c1cnc(N)n2nc(nc12)-c1nccs1
PDB

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1.59E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] DPCPX from human recombinant A2B adenosine receptor expressed in HEK293 cells incubated for 30 mins by radioligand binding compe...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50585025
PNG
(CHEMBL5094593)
Show SMILES Cc1cccc(n1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1
PDB

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1.72E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] DPCPX from human recombinant A1 adenosine receptor expressed in CHO cells incubated for 60 mins by radioligand binding competiti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50585021
PNG
(CHEMBL5079363)
Show SMILES Cc1cnc(s1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1
PDB

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2.93E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] NECA from human recombinant A3 receptor expressed in HeLa cells incubated for 180 mins by radioligand binding competition assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50585022
PNG
(CHEMBL5076059)
Show SMILES Cc1ccc(o1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1
PDB

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2.96E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] NECA from human recombinant A3 receptor expressed in HeLa cells incubated for 180 mins by radioligand binding competition assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50585026
PNG
(CHEMBL5074874)
Show SMILES Cn1nccc1-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1
PDB

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2.97E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] DPCPX from human recombinant A1 adenosine receptor expressed in CHO cells incubated for 60 mins by radioligand binding competiti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50585024
PNG
(CHEMBL5091575)
Show SMILES Cn1ccc(n1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1
PDB
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3.43E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] ZM241385 from human recombinant A2A adenosine receptor expressed in HeLa cells incubated for 30 mins by radioligand binding comp...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50585025
PNG
(CHEMBL5094593)
Show SMILES Cc1cccc(n1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1
PDB
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3.77E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] ZM241385 from human recombinant A2A adenosine receptor expressed in HeLa cells incubated for 30 mins by radioligand binding comp...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50585018
PNG
(CHEMBL5075422)
Show SMILES Cn1cc(ccc1=O)-c1cnc(N)n2nc(nc12)-c1ccco1
PDB

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8.79E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] NECA from human recombinant A3 receptor expressed in HeLa cells incubated for 180 mins by radioligand binding competition assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50585021
PNG
(CHEMBL5079363)
Show SMILES Cc1cnc(s1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1
PDB

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9.92E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] DPCPX from human recombinant A2B adenosine receptor expressed in HEK293 cells incubated for 30 mins by radioligand binding compe...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50585020
PNG
(CHEMBL5071873)
Show SMILES Cn1cc(ccc1=O)-c1cnc(N)n2nc(nc12)-c1nccs1
PDB

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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] NECA from human recombinant A3 receptor expressed in HeLa cells incubated for 180 mins by radioligand binding competition assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50585019
PNG
(CHEMBL5074137)
Show SMILES Cn1cc(ccc1=O)-c1cnc(N)n2nc(nc12)-c1ccccn1
PDB

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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] NECA from human recombinant A3 receptor expressed in HeLa cells incubated for 180 mins by radioligand binding competition assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50585026
PNG
(CHEMBL5074874)
Show SMILES Cn1nccc1-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1
PDB

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UniChem
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] DPCPX from human recombinant A2B adenosine receptor expressed in HEK293 cells incubated for 30 mins by radioligand binding compe...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50585025
PNG
(CHEMBL5094593)
Show SMILES Cc1cccc(n1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1
PDB

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UniChem
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] DPCPX from human recombinant A2B adenosine receptor expressed in HEK293 cells incubated for 30 mins by radioligand binding compe...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50585024
PNG
(CHEMBL5091575)
Show SMILES Cn1ccc(n1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1
PDB

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UniChem
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] DPCPX from human recombinant A2B adenosine receptor expressed in HEK293 cells incubated for 30 mins by radioligand binding compe...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50585023
PNG
(CHEMBL5075275)
Show SMILES Cc1csc(n1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1
PDB

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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] DPCPX from human recombinant A2B adenosine receptor expressed in HEK293 cells incubated for 30 mins by radioligand binding compe...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50585022
PNG
(CHEMBL5076059)
Show SMILES Cc1ccc(o1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1
PDB

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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] DPCPX from human recombinant A2B adenosine receptor expressed in HEK293 cells incubated for 30 mins by radioligand binding compe...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50585019
PNG
(CHEMBL5074137)
Show SMILES Cn1cc(ccc1=O)-c1cnc(N)n2nc(nc12)-c1ccccn1
PDB

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UniChem
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] DPCPX from human recombinant A2B adenosine receptor expressed in HEK293 cells incubated for 30 mins by radioligand binding compe...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50585027
PNG
(CHEMBL5076643)
Show SMILES Cn1cc(ccc1=O)-c1cnc(N)nc1-c1ccco1
PDB

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UniChem
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] NECA from human recombinant A3 receptor expressed in HeLa cells incubated for 180 mins by radioligand binding competition assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50585026
PNG
(CHEMBL5074874)
Show SMILES Cn1nccc1-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1
PDB

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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] NECA from human recombinant A3 receptor expressed in HeLa cells incubated for 180 mins by radioligand binding competition assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50585025
PNG
(CHEMBL5094593)
Show SMILES Cc1cccc(n1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1
PDB

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UniChem
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] NECA from human recombinant A3 receptor expressed in HeLa cells incubated for 180 mins by radioligand binding competition assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50585023
PNG
(CHEMBL5075275)
Show SMILES Cc1csc(n1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1
PDB

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UniChem
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] NECA from human recombinant A3 receptor expressed in HeLa cells incubated for 180 mins by radioligand binding competition assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50585024
PNG
(CHEMBL5091575)
Show SMILES Cn1ccc(n1)-c1nc2c(cnc(N)n2n1)-c1ccc(=O)n(C)c1
PDB

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UniChem
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] NECA from human recombinant A3 receptor expressed in HeLa cells incubated for 180 mins by radioligand binding competition assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50585018
PNG
(CHEMBL5075422)
Show SMILES Cn1cc(ccc1=O)-c1cnc(N)n2nc(nc12)-c1ccco1
PDB
MMDB

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n/an/a 5.70n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human recombinant adenosine A2A receptor transfected in HEK293 cells co-transfected with Galpha15/16 assessed as intracellular...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50585018
PNG
(CHEMBL5075422)
Show SMILES Cn1cc(ccc1=O)-c1cnc(N)n2nc(nc12)-c1ccco1
PDB

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PubMed
n/an/a 26n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human recombinant adenosine A1 receptor transfected in HEK293 cells co-transfected with Galpha15/16 assessed as intracellular ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50585018
PNG
(CHEMBL5075422)
Show SMILES Cn1cc(ccc1=O)-c1cnc(N)n2nc(nc12)-c1ccco1
PDB

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n/an/a 479n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human recombinant adenosine A2B receptor transfected in HEK293 cells co-transfected with Galpha15/16 assessed as intracellular...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50585018
PNG
(CHEMBL5075422)
Show SMILES Cn1cc(ccc1=O)-c1cnc(N)n2nc(nc12)-c1ccco1
PDB

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n/an/a 2.02E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human recombinant adenosine A3 receptor transfected in HEK293 cells co-transfected with Galpha15/16 assessed as intracellular ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00599
BindingDB Entry DOI: 10.7270/Q2DJ5KJZ
More data for this
Ligand-Target Pair