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SMILES: Cn1nc(-c2ccc(OCC34CCC(N)(CC3)CC4)c(F)c2)c2cnc(N)nc12

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50560351   
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


(Mus musculus)
BDBM50560351
PNG
(CHEMBL4748638)
Show SMILES Cn1nc(-c2ccc(OCC34CCC(N)(CC3)CC4)c(F)c2)c2cnc(N)nc12
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 38n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at TLR7 in mouse splenocytes assessed as inhibition of ssRNA40-induced IL6 production


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127366
BindingDB Entry DOI: 10.7270/Q2T43XS2
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Mus musculus)
BDBM50560351
PNG
(CHEMBL4748638)
Show SMILES Cn1nc(-c2ccc(OCC34CCC(N)(CC3)CC4)c(F)c2)c2cnc(N)nc12
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 840n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at TLR9 in mouse splenocytes assessed as inhibition of CpG1585-induced IL6 production


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127366
BindingDB Entry DOI: 10.7270/Q2T43XS2
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50560351
PNG
(CHEMBL4748638)
Show SMILES Cn1nc(-c2ccc(OCC34CCC(N)(CC3)CC4)c(F)c2)c2cnc(N)nc12
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at TLR9 in human PBMC assessed as inhibition of ODN2216-induced IFNalpha production


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127366
BindingDB Entry DOI: 10.7270/Q2T43XS2
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50560351
PNG
(CHEMBL4748638)
Show SMILES Cn1nc(-c2ccc(OCC34CCC(N)(CC3)CC4)c(F)c2)c2cnc(N)nc12
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at TLR8 in human THP-1 cells assessed as inhibition of resiquimod-induced TNFalpha production


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127366
BindingDB Entry DOI: 10.7270/Q2T43XS2
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50560351
PNG
(CHEMBL4748638)
Show SMILES Cn1nc(-c2ccc(OCC34CCC(N)(CC3)CC4)c(F)c2)c2cnc(N)nc12
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at TLR7 in human PBMC assessed as inhibition of ssRNA40-induced IFNalpha production


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127366
BindingDB Entry DOI: 10.7270/Q2T43XS2
More data for this
Ligand-Target Pair