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BDBM50425235 CHEMBL2315167

SMILES: CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(nc3)N3CCNCC3)c2n1

InChI Key: InChIKey=RYSDMBBJASPMTK-UHFFFAOYSA-N

Data: 1 EC50

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

Found 1 hit for monomerid = 50425235   
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))
BDBM50425235
PNG
(CHEMBL2315167)
Show SMILES CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(nc3)N3CCNCC3)c2n1
Show InChI InChI=1S/C19H27N9O/c1-2-3-6-22-18-25-16(20)15-17(26-18)28(19(29)24-15)12-13-4-5-14(23-11-13)27-9-7-21-8-10-27/h4-5,11,21H,2-3,6-10,12H2,1H3,(H,24,29)(H3,20,22,25,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 49n/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 669-72 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.114
BindingDB Entry DOI: 10.7270/Q2B859DG
More data for this
Ligand-Target Pair