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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Toll-like receptor 7' and Ligand = 'BDBM50425234'   
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))
BDBM50425234
PNG
(CHEMBL2315158)
Show SMILES CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(OCCN(C)C)nc3)c2n1
Show InChI InChI=1S/C19H28N8O2/c1-4-5-8-21-18-24-16(20)15-17(25-18)27(19(28)23-15)12-13-6-7-14(22-11-13)29-10-9-26(2)3/h6-7,11H,4-5,8-10,12H2,1-3H3,(H,23,28)(H3,20,21,24,25)
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UniProtKB/SwissProt

antibodypedia
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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 7.20n/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
Toll-like receptor 7


(Mus musculus)
BDBM50425234
PNG
(CHEMBL2315158)
Show SMILES CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(OCCN(C)C)nc3)c2n1
Show InChI InChI=1S/C19H28N8O2/c1-4-5-8-21-18-24-16(20)15-17(25-18)27(19(28)23-15)12-13-6-7-14(22-11-13)29-10-9-26(2)3/h6-7,11H,4-5,8-10,12H2,1-3H3,(H,23,28)(H3,20,21,24,25)
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.60n/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse TLR7


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