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SMILES: CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C(=O)Nc1ccc(C)cc1

InChI Key: InChIKey=KAWHNQIGBMNNFB-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 = 254761   
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))
BDBM254761
PNG
(US9475775, 28 | US9597333, 28)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C(=O)Nc1ccc(C)cc1 |t:9,18|
Show InChI InChI=1S/C25H30N4O2/c1-4-12-29(13-5-2)25(31)20-14-18-8-9-19(15-22(18)28-23(26)16-20)24(30)27-21-10-6-17(3)7-11-21/h6-11,14-15H,4-5,12-13,16H2,1-3H3,(H2,26,28)(H,27,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1n/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))
BDBM254761
PNG
(US9475775, 28 | US9597333, 28)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C(=O)Nc1ccc(C)cc1 |t:9,18|
Show InChI InChI=1S/C25H30N4O2/c1-4-12-29(13-5-2)25(31)20-14-18-8-9-19(15-22(18)28-23(26)16-20)24(30)27-21-10-6-17(3)7-11-21/h6-11,14-15H,4-5,12-13,16H2,1-3H3,(H2,26,28)(H,27,30)
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))
BDBM254761
PNG
(US9475775, 28 | US9597333, 28)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C(=O)Nc1ccc(C)cc1 |t:9,18|
Show InChI InChI=1S/C25H30N4O2/c1-4-12-29(13-5-2)25(31)20-14-18-8-9-19(15-22(18)28-23(26)16-20)24(30)27-21-10-6-17(3)7-11-21/h6-11,14-15H,4-5,12-13,16H2,1-3H3,(H2,26,28)(H,27,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1n/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))
BDBM254761
PNG
(US9475775, 28 | US9597333, 28)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C(=O)Nc1ccc(C)cc1 |t:9,18|
Show InChI InChI=1S/C25H30N4O2/c1-4-12-29(13-5-2)25(31)20-14-18-8-9-19(15-22(18)28-23(26)16-20)24(30)27-21-10-6-17(3)7-11-21/h6-11,14-15H,4-5,12-13,16H2,1-3H3,(H2,26,28)(H,27,30)
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