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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50254400   
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))
BDBM50254400
PNG
(3-(1H-Benzotriazol-5-ylmethyl)-7-(2-furyl)-3H-[1,2...)
Show SMILES Nc1nc(-c2ccco2)c2nnn(Cc3ccc4nn[nH]c4c3)c2n1
Show InChI InChI=1S/C15H11N9O/c16-15-17-12(11-2-1-5-25-11)13-14(18-15)24(23-21-13)7-8-3-4-9-10(6-8)20-22-19-9/h1-6H,7H2,(H2,16,17,18)(H,19,20,22)
PDB
MMDB

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Article
PubMed
11.9n/an/an/an/an/an/an/an/a



Vernalis R&D Ltd

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant adenosine A2A receptor at 21 degC after 90 mins by cell-based microplate scintillation counting


J Med Chem 52: 33-47 (2009)


Article DOI: 10.1021/jm800961g
BindingDB Entry DOI: 10.7270/Q2XG9R0B
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50254400
PNG
(3-(1H-Benzotriazol-5-ylmethyl)-7-(2-furyl)-3H-[1,2...)
Show SMILES Nc1nc(-c2ccco2)c2nnn(Cc3ccc4nn[nH]c4c3)c2n1
Show InChI InChI=1S/C15H11N9O/c16-15-17-12(11-2-1-5-25-11)13-14(18-15)24(23-21-13)7-8-3-4-9-10(6-8)20-22-19-9/h1-6H,7H2,(H2,16,17,18)(H,19,20,22)
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Article
PubMed
134n/an/an/an/an/an/an/an/a



Vernalis R&D Ltd

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant adenosine A2B receptor at 21 degC after 60 mins by cell-based microplate scintillation counting


J Med Chem 52: 33-47 (2009)


Article DOI: 10.1021/jm800961g
BindingDB Entry DOI: 10.7270/Q2XG9R0B
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50254400
PNG
(3-(1H-Benzotriazol-5-ylmethyl)-7-(2-furyl)-3H-[1,2...)
Show SMILES Nc1nc(-c2ccco2)c2nnn(Cc3ccc4nn[nH]c4c3)c2n1
Show InChI InChI=1S/C15H11N9O/c16-15-17-12(11-2-1-5-25-11)13-14(18-15)24(23-21-13)7-8-3-4-9-10(6-8)20-22-19-9/h1-6H,7H2,(H2,16,17,18)(H,19,20,22)
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Article
PubMed
291n/an/an/an/an/an/an/an/a



Vernalis R&D Ltd

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant adenosine A1 receptor at 21 degC after 90 mins by cell-based microplate scintillation counting


J Med Chem 52: 33-47 (2009)


Article DOI: 10.1021/jm800961g
BindingDB Entry DOI: 10.7270/Q2XG9R0B
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50254400
PNG
(3-(1H-Benzotriazol-5-ylmethyl)-7-(2-furyl)-3H-[1,2...)
Show SMILES Nc1nc(-c2ccco2)c2nnn(Cc3ccc4nn[nH]c4c3)c2n1
Show InChI InChI=1S/C15H11N9O/c16-15-17-12(11-2-1-5-25-11)13-14(18-15)24(23-21-13)7-8-3-4-9-10(6-8)20-22-19-9/h1-6H,7H2,(H2,16,17,18)(H,19,20,22)
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Article
PubMed
3.01E+3n/an/an/an/an/an/an/an/a



Vernalis R&D Ltd

Curated by ChEMBL


Assay Description
Displacement of radioligand from human recombinant adenosine A3 receptor at 21 degC after 60 mins by cell-based microplate scintillation counting


J Med Chem 52: 33-47 (2009)


Article DOI: 10.1021/jm800961g
BindingDB Entry DOI: 10.7270/Q2XG9R0B
More data for this
Ligand-Target Pair