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SMILES: Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCCCCCCCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12

InChI Key: InChIKey=DIBFYNLRFHMPNT-UHFFFAOYSA-N

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 2 hits for monomerid = 50380504   
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 8


(Homo sapiens (Human))
BDBM50380504
PNG
(CHEMBL2018891)
Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCCCCCCCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12
Show InChI InChI=1S/C44H46N8/c45-43-39-41(33-23-15-17-25-35(33)47-43)51(29-31-19-9-7-10-20-31)37(49-39)27-13-5-3-1-2-4-6-14-28-38-50-40-42(52(38)30-32-21-11-8-12-22-32)34-24-16-18-26-36(34)48-44(40)46/h7-12,15-26H,1-6,13-14,27-30H2,(H2,45,47)(H2,46,48)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.65E+3n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR8 expressed in HEK-Blue cells assessed as inhibition of CL075-induced NFkappaB activation by sAP reporter gene assay


J Med Chem 55: 1106-16 (2012)


Article DOI: 10.1021/jm2010207
BindingDB Entry DOI: 10.7270/Q2VH5PVX
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50380504
PNG
(CHEMBL2018891)
Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCCCCCCCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12
Show InChI InChI=1S/C44H46N8/c45-43-39-41(33-23-15-17-25-35(33)47-43)51(29-31-19-9-7-10-20-31)37(49-39)27-13-5-3-1-2-4-6-14-28-38-50-40-42(52(38)30-32-21-11-8-12-22-32)34-24-16-18-26-36(34)48-44(40)46/h7-12,15-26H,1-6,13-14,27-30H2,(H2,45,47)(H2,46,48)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.79E+4n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR7 expressed in HEK-Blue cells assessed as inhibition of gardiquimod-induced NFkappaB activation by sAP reporter gene ...


J Med Chem 55: 1106-16 (2012)


Article DOI: 10.1021/jm2010207
BindingDB Entry DOI: 10.7270/Q2VH5PVX
More data for this
Ligand-Target Pair