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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50513537   
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


(Homo sapiens (Human))
BDBM50513537
PNG
(CHEMBL4468448)
Show SMILES Nc1nc(N\N=C\c2ccc[nH]2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H18N8O4/c16-12-9-13(21-15(20-12)22-19-4-7-2-1-3-17-7)23(6-18-9)14-11(26)10(25)8(5-24)27-14/h1-4,6,8,10-11,14,17,24-26H,5H2,(H3,16,20,21,22)/b19-4+/t8-,10-,11-,14-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
8n/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
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50513537
PNG
(CHEMBL4468448)
Show SMILES Nc1nc(N\N=C\c2ccc[nH]2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H18N8O4/c16-12-9-13(21-15(20-12)22-19-4-7-2-1-3-17-7)23(6-18-9)14-11(26)10(25)8(5-24)27-14/h1-4,6,8,10-11,14,17,24-26H,5H2,(H3,16,20,21,22)/b19-4+/t8-,10-,11-,14-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
8.30n/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