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SMILES: CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C(=O)Nc1cccc(OCCOCCN)c1

InChI Key: InChIKey=HMTVYCCHJJVVJZ-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 = 254778   
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))
BDBM254778
PNG
(US9475775, 45 | US9597333, 45)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C(=O)Nc1cccc(OCCOCCN)c1 |t:9,18|
Show InChI InChI=1S/C28H37N5O4/c1-3-11-33(12-4-2)28(35)22-16-20-8-9-21(17-25(20)32-26(30)18-22)27(34)31-23-6-5-7-24(19-23)37-15-14-36-13-10-29/h5-9,16-17,19H,3-4,10-15,18,29H2,1-2H3,(H2,30,32)(H,31,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 26n/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))
BDBM254778
PNG
(US9475775, 45 | US9597333, 45)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C(=O)Nc1cccc(OCCOCCN)c1 |t:9,18|
Show InChI InChI=1S/C28H37N5O4/c1-3-11-33(12-4-2)28(35)22-16-20-8-9-21(17-25(20)32-26(30)18-22)27(34)31-23-6-5-7-24(19-23)37-15-14-36-13-10-29/h5-9,16-17,19H,3-4,10-15,18,29H2,1-2H3,(H2,30,32)(H,31,34)
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))
BDBM254778
PNG
(US9475775, 45 | US9597333, 45)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C(=O)Nc1cccc(OCCOCCN)c1 |t:9,18|
Show InChI InChI=1S/C28H37N5O4/c1-3-11-33(12-4-2)28(35)22-16-20-8-9-21(17-25(20)32-26(30)18-22)27(34)31-23-6-5-7-24(19-23)37-15-14-36-13-10-29/h5-9,16-17,19H,3-4,10-15,18,29H2,1-2H3,(H2,30,32)(H,31,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 26n/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))
BDBM254778
PNG
(US9475775, 45 | US9597333, 45)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C(=O)Nc1cccc(OCCOCCN)c1 |t:9,18|
Show InChI InChI=1S/C28H37N5O4/c1-3-11-33(12-4-2)28(35)22-16-20-8-9-21(17-25(20)32-26(30)18-22)27(34)31-23-6-5-7-24(19-23)37-15-14-36-13-10-29/h5-9,16-17,19H,3-4,10-15,18,29H2,1-2H3,(H2,30,32)(H,31,34)
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