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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50550832'   
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 A1


(Rattus norvegicus (rat))
BDBM50550832
PNG
(CHEMBL4764086)
Show SMILES Clc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
PDB

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UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
0.0867n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from rat adenosine receptor A1 by radioligand competition assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111879
BindingDB Entry DOI: 10.7270/Q24T6P0P
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50550832
PNG
(CHEMBL4764086)
Show SMILES Clc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
0.939n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortex membranes incubated for 90 mins by radioligand competition assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111879
BindingDB Entry DOI: 10.7270/Q24T6P0P
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50550832
PNG
(CHEMBL4764086)
Show SMILES Clc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
PDB

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UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.939n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CCPA from rat adenosine receptor A1 by radioligand competition assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111879
BindingDB Entry DOI: 10.7270/Q24T6P0P
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50550832
PNG
(CHEMBL4764086)
Show SMILES Clc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
24n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes incubated for 90 mins by radioligand competition assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111879
BindingDB Entry DOI: 10.7270/Q24T6P0P
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50550832
PNG
(CHEMBL4764086)
Show SMILES Clc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0929n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from rat brain cortical membrane A1AR in absence of GTP by scintillation counting analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111879
BindingDB Entry DOI: 10.7270/Q24T6P0P
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50550832
PNG
(CHEMBL4764086)
Show SMILES Clc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0981n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from rat brain cortical membrane A1AR in presence of 100 uM of GTP by scintillation counting analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111879
BindingDB Entry DOI: 10.7270/Q24T6P0P
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50550832
PNG
(CHEMBL4764086)
Show SMILES Clc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from rat brain cortical membrane A1AR assessed as GTP shift


Citation and Details

Article DOI: 10.1016/j.ejmech.2019.111879
BindingDB Entry DOI: 10.7270/Q24T6P0P
More data for this
Ligand-Target Pair