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BDBM50248317 2-(cyclopropylamino)-9-(3-fluorophenyl)-7-(2-methoxybenzyl)-7H-purin-8(9H)-one::CHEMBL474747

SMILES: COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2cccc(F)c2)c1=O

InChI Key: InChIKey=QKENJSZXIDEZOZ-UHFFFAOYSA-N

Data: 2 KI

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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 = 50248317   
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))
BDBM50248317
PNG
(2-(cyclopropylamino)-9-(3-fluorophenyl)-7-(2-metho...)
Show SMILES COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2cccc(F)c2)c1=O
Show InChI InChI=1S/C22H20FN5O2/c1-30-19-8-3-2-5-14(19)13-27-18-12-24-21(25-16-9-10-16)26-20(18)28(22(27)29)17-7-4-6-15(23)11-17/h2-8,11-12,16H,9-10,13H2,1H3,(H,24,25,26)
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KEGG

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PC cid
PC sid
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Article
PubMed
89n/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))
BDBM50248317
PNG
(2-(cyclopropylamino)-9-(3-fluorophenyl)-7-(2-metho...)
Show SMILES COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2cccc(F)c2)c1=O
Show InChI InChI=1S/C22H20FN5O2/c1-30-19-8-3-2-5-14(19)13-27-18-12-24-21(25-16-9-10-16)26-20(18)28(22(27)29)17-7-4-6-15(23)11-17/h2-8,11-12,16H,9-10,13H2,1H3,(H,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
599n/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