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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Toll-like receptor 7' and Ligand = 'BDBM50425236'   
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
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50425236
PNG
(CHEMBL2315166)
Show SMILES CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(nc3)N3CCN(C)CC3)c2n1
Show InChI InChI=1S/C20H29N9O/c1-3-4-7-22-19-25-17(21)16-18(26-19)29(20(30)24-16)13-14-5-6-15(23-12-14)28-10-8-27(2)9-11-28/h5-6,12H,3-4,7-11,13H2,1-2H3,(H,24,30)(H3,21,22,25,26)
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Article
PubMed
n/an/an/an/a 5.40n/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