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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50139834   
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))
BDBM50139834
PNG
(CHEMBL3763871)
Show SMILES CN(CCCc1ccccn1)C(=O)c1cnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc2c1
Show InChI InChI=1S/C29H26FN7O2/c1-37(14-6-10-21-9-2-3-13-32-21)28(39)20-15-18-7-4-8-19(24(18)33-17-20)16-34-27(38)26-22-11-5-12-23(30)25(22)35-29(31)36-26/h2-5,7-9,11-13,15,17H,6,10,14,16H2,1H3,(H,34,38)(H2,31,35,36)
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Similars

Article
PubMed
12n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-58261 from human adenosine A2A receptor expressed in HEK cell membranes after 60 mins by microplate scintillation counting an...


Bioorg Med Chem Lett 26: 1348-54 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.048
BindingDB Entry DOI: 10.7270/Q2S46TT3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50139834
PNG
(CHEMBL3763871)
Show SMILES CN(CCCc1ccccn1)C(=O)c1cnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc2c1
Show InChI InChI=1S/C29H26FN7O2/c1-37(14-6-10-21-9-2-3-13-32-21)28(39)20-15-18-7-4-8-19(24(18)33-17-20)16-34-27(38)26-22-11-5-12-23(30)25(22)35-29(31)36-26/h2-5,7-9,11-13,15,17H,6,10,14,16H2,1H3,(H,34,38)(H2,31,35,36)
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
210n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 60 mins by microplate scintillation counting analysi...


Bioorg Med Chem Lett 26: 1348-54 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.048
BindingDB Entry DOI: 10.7270/Q2S46TT3
More data for this
Ligand-Target Pair