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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50513552   
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))
BDBM50513552
PNG
(CHEMBL4458638)
Show SMILES Nc1nc(N\N=C\c2ccc3ncccc3c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C20H20N8O4/c21-17-14-18(28(9-23-14)19-16(31)15(30)13(8-29)32-19)26-20(25-17)27-24-7-10-3-4-12-11(6-10)2-1-5-22-12/h1-7,9,13,15-16,19,29-31H,8H2,(H3,21,25,26,27)/b24-7+/t13-,15-,16-,19-/m1/s1
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KEGG

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PC cid
PC sid
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Article
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6.5n/an/an/an/an/an/an/an/a



National Engineering Research Center for the Emergency Drug

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human cloned adenosine receptor A2A expressed in HEK-293 cell membrane incubated for 60 mins by microbeta counting ...


Eur J Med Chem 179: 310-324 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.050
BindingDB Entry DOI: 10.7270/Q24B34NM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50513552
PNG
(CHEMBL4458638)
Show SMILES Nc1nc(N\N=C\c2ccc3ncccc3c2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C20H20N8O4/c21-17-14-18(28(9-23-14)19-16(31)15(30)13(8-29)32-19)26-20(25-17)27-24-7-10-3-4-12-11(6-10)2-1-5-22-12/h1-7,9,13,15-16,19,29-31H,8H2,(H3,21,25,26,27)/b24-7+/t13-,15-,16-,19-/m1/s1
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KEGG

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
9.80n/an/an/an/an/an/an/an/a



National Engineering Research Center for the Emergency Drug

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human cloned adenosine receptor A1 expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta counting meth...


Eur J Med Chem 179: 310-324 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.050
BindingDB Entry DOI: 10.7270/Q24B34NM
More data for this
Ligand-Target Pair