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BDBM50248576 7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-2-(pyridin-4-ylmethylamino)-7H-purin-8(9H)-one::CHEMBL465338

SMILES: COc1cccc(c1)-n1c2nc(NCc3ccncc3)ncc2n(Cc2c(F)cccc2F)c1=O

InChI Key: InChIKey=CPCBVGFLWLFBQV-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50248576   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50248576
PNG
(7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-2-(pyri...)
Show SMILES COc1cccc(c1)-n1c2nc(NCc3ccncc3)ncc2n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C25H20F2N6O2/c1-35-18-5-2-4-17(12-18)33-23-22(14-30-24(31-23)29-13-16-8-10-28-11-9-16)32(25(33)34)15-19-20(26)6-3-7-21(19)27/h2-12,14H,13,15H2,1H3,(H,29,30,31)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
50n/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))
BDBM50248576
PNG
(7-(2,6-difluorobenzyl)-9-(3-methoxyphenyl)-2-(pyri...)
Show SMILES COc1cccc(c1)-n1c2nc(NCc3ccncc3)ncc2n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C25H20F2N6O2/c1-35-18-5-2-4-17(12-18)33-23-22(14-30-24(31-23)29-13-16-8-10-28-11-9-16)32(25(33)34)15-19-20(26)6-3-7-21(19)27/h2-12,14H,13,15H2,1H3,(H,29,30,31)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.19E+3n/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