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SMILES: CCCN(Cc1ccc(CN)cc1)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C(=O)Nc1cccc(C)c1

InChI Key: InChIKey=NXLIEOISWQPZLA-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 4 hits for monomerid = 254793   
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))
BDBM254793
PNG
(US9475775, 60 | US9597333, 60)
Show SMILES CCCN(Cc1ccc(CN)cc1)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C(=O)Nc1cccc(C)c1 |t:16,25|
Show InChI InChI=1S/C30H33N5O2/c1-3-13-35(19-22-9-7-21(18-31)8-10-22)30(37)25-15-23-11-12-24(16-27(23)34-28(32)17-25)29(36)33-26-6-4-5-20(2)14-26/h4-12,14-16H,3,13,17-19,31H2,1-2H3,(H2,32,34)(H,33,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 27n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells (Invivogen, San Diego, Calif., USA) are used, respectively. These cells are des...


US Patent US9475775 (2016)


BindingDB Entry DOI: 10.7270/Q2QC02D4
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM254793
PNG
(US9475775, 60 | US9597333, 60)
Show SMILES CCCN(Cc1ccc(CN)cc1)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C(=O)Nc1cccc(C)c1 |t:16,25|
Show InChI InChI=1S/C30H33N5O2/c1-3-13-35(19-22-9-7-21(18-31)8-10-22)30(37)25-15-23-11-12-24(16-27(23)34-28(32)17-25)29(36)33-26-6-4-5-20(2)14-26/h4-12,14-16H,3,13,17-19,31H2,1-2H3,(H2,32,34)(H,33,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+5n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells (Invivogen, San Diego, Calif., USA) are used, respectively. These cells are des...


US Patent US9597333 (2017)


BindingDB Entry DOI: 10.7270/Q2474CXF
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM254793
PNG
(US9475775, 60 | US9597333, 60)
Show SMILES CCCN(Cc1ccc(CN)cc1)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C(=O)Nc1cccc(C)c1 |t:16,25|
Show InChI InChI=1S/C30H33N5O2/c1-3-13-35(19-22-9-7-21(18-31)8-10-22)30(37)25-15-23-11-12-24(16-27(23)34-28(32)17-25)29(36)33-26-6-4-5-20(2)14-26/h4-12,14-16H,3,13,17-19,31H2,1-2H3,(H2,32,34)(H,33,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 27n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells (Invivogen, San Diego, Calif., USA) are used, respectively. These cells are des...


US Patent US9597333 (2017)


BindingDB Entry DOI: 10.7270/Q2474CXF
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM254793
PNG
(US9475775, 60 | US9597333, 60)
Show SMILES CCCN(Cc1ccc(CN)cc1)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C(=O)Nc1cccc(C)c1 |t:16,25|
Show InChI InChI=1S/C30H33N5O2/c1-3-13-35(19-22-9-7-21(18-31)8-10-22)30(37)25-15-23-11-12-24(16-27(23)34-28(32)17-25)29(36)33-26-6-4-5-20(2)14-26/h4-12,14-16H,3,13,17-19,31H2,1-2H3,(H2,32,34)(H,33,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+5n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells (Invivogen, San Diego, Calif., USA) are used, respectively. These cells are des...


US Patent US9475775 (2016)


BindingDB Entry DOI: 10.7270/Q2QC02D4
More data for this
Ligand-Target Pair