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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50248480   
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))
BDBM50248480
PNG
(7-(2,6-difluorobenzyl)-2-(isopropylamino)-9-(3-met...)
Show SMILES COc1cccc(c1)-n1c2nc(NC(C)C)ncc2n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C22H21F2N5O2/c1-13(2)26-21-25-11-19-20(27-21)29(14-6-4-7-15(10-14)31-3)22(30)28(19)12-16-17(23)8-5-9-18(16)24/h4-11,13H,12H2,1-3H3,(H,25,26,27)
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60n/an/an/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 1399-402 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.042
BindingDB Entry DOI: 10.7270/Q26973F9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50248480
PNG
(7-(2,6-difluorobenzyl)-2-(isopropylamino)-9-(3-met...)
Show SMILES COc1cccc(c1)-n1c2nc(NC(C)C)ncc2n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C22H21F2N5O2/c1-13(2)26-21-25-11-19-20(27-21)29(14-6-4-7-15(10-14)31-3)22(30)28(19)12-16-17(23)8-5-9-18(16)24/h4-11,13H,12H2,1-3H3,(H,25,26,27)
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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
616n/an/an/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 19: 1399-402 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.042
BindingDB Entry DOI: 10.7270/Q26973F9
More data for this
Ligand-Target Pair