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SMILES: CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C(=O)Nc1ccnnc1

InChI Key: InChIKey=WBBCGFHJLCLCQW-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 = 254767   
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))
BDBM254767
PNG
(US9475775, 34 | US9597333, 34)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C(=O)Nc1ccnnc1 |t:9,18|
Show InChI InChI=1S/C22H26N6O2/c1-3-9-28(10-4-2)22(30)17-11-15-5-6-16(12-19(15)27-20(23)13-17)21(29)26-18-7-8-24-25-14-18/h5-8,11-12,14H,3-4,9-10,13H2,1-2H3,(H2,23,27)(H,24,26,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2n/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))
BDBM254767
PNG
(US9475775, 34 | US9597333, 34)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C(=O)Nc1ccnnc1 |t:9,18|
Show InChI InChI=1S/C22H26N6O2/c1-3-9-28(10-4-2)22(30)17-11-15-5-6-16(12-19(15)27-20(23)13-17)21(29)26-18-7-8-24-25-14-18/h5-8,11-12,14H,3-4,9-10,13H2,1-2H3,(H2,23,27)(H,24,26,29)
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))
BDBM254767
PNG
(US9475775, 34 | US9597333, 34)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C(=O)Nc1ccnnc1 |t:9,18|
Show InChI InChI=1S/C22H26N6O2/c1-3-9-28(10-4-2)22(30)17-11-15-5-6-16(12-19(15)27-20(23)13-17)21(29)26-18-7-8-24-25-14-18/h5-8,11-12,14H,3-4,9-10,13H2,1-2H3,(H2,23,27)(H,24,26,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2n/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))
BDBM254767
PNG
(US9475775, 34 | US9597333, 34)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C(=O)Nc1ccnnc1 |t:9,18|
Show InChI InChI=1S/C22H26N6O2/c1-3-9-28(10-4-2)22(30)17-11-15-5-6-16(12-19(15)27-20(23)13-17)21(29)26-18-7-8-24-25-14-18/h5-8,11-12,14H,3-4,9-10,13H2,1-2H3,(H2,23,27)(H,24,26,29)
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