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BDBM50315268 CHEMBL1093467::Ethyl{3-[(6-amino-2-butoxy-8-oxo-7,8-dihydro-9H-purin-9-yl)methyl]phenyl}acetate

SMILES: CCCCOc1nc(N)c2[nH]c(=O)n(Cc3cccc(CC(=O)OCC)c3)c2n1

InChI Key: InChIKey=ZBCHPELLPQXWIX-UHFFFAOYSA-N

Data: 1 EC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50315268   
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
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50315268
PNG
(CHEMBL1093467 | Ethyl{3-[(6-amino-2-butoxy-8-oxo-7...)
Show SMILES CCCCOc1nc(N)c2[nH]c(=O)n(Cc3cccc(CC(=O)OCC)c3)c2n1
Show InChI InChI=1S/C20H25N5O4/c1-3-5-9-29-19-23-17(21)16-18(24-19)25(20(27)22-16)12-14-8-6-7-13(10-14)11-15(26)28-4-2/h6-8,10H,3-5,9,11-12H2,1-2H3,(H,22,27)(H2,21,23,24)
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Article
PubMed
n/an/an/an/a 188n/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells coexpressing pNiFty2-SEAP reporter by reporter gene assay


J Med Chem 53: 2964-72 (2010)


Article DOI: 10.1021/jm100070n
BindingDB Entry DOI: 10.7270/Q20P1054
More data for this
Ligand-Target Pair