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SMILES: FC(F)(F)c1nc2c(NCCN3CCOCC3)nc(nc2n(CCN2CCOCC2)c1=O)-c1ccccc1

InChI Key: InChIKey=QXCKCDQXRMWEJB-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 = 235728   
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 9


(Homo sapiens (Human))
BDBM235728
PNG
(US10117875, Example 71 | US9359361, 71)
Show SMILES FC(F)(F)c1nc2c(NCCN3CCOCC3)nc(nc2n(CCN2CCOCC2)c1=O)-c1ccccc1
Show InChI InChI=1S/C25H30F3N7O3/c26-25(27,28)20-24(36)35(9-8-34-12-16-38-17-13-34)23-19(30-20)22(29-6-7-33-10-14-37-15-11-33)31-21(32-23)18-4-2-1-3-5-18/h1-5H,6-17H2,(H,29,31,32)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.82E+3n/an/an/an/an/an/a



JANUS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
HEK-Blue-hTLR9 cells were obtained from InvivoGen Inc. and used to determine test compound antagonism of human TLR9 (hTLR9) driven responses. HEK-Blu...


US Patent US10117875 (2018)


BindingDB Entry DOI: 10.7270/Q2MK6FXT
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM235728
PNG
(US10117875, Example 71 | US9359361, 71)
Show SMILES FC(F)(F)c1nc2c(NCCN3CCOCC3)nc(nc2n(CCN2CCOCC2)c1=O)-c1ccccc1
Show InChI InChI=1S/C25H30F3N7O3/c26-25(27,28)20-24(36)35(9-8-34-12-16-38-17-13-34)23-19(30-20)22(29-6-7-33-10-14-37-15-11-33)31-21(32-23)18-4-2-1-3-5-18/h1-5H,6-17H2,(H,29,31,32)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.82E+3n/an/an/an/an/a37



JANUS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
Day 1: A cell suspension of HEK-Blue™-hTLR9 cells at ~450,000 cells per ml in test medium which contained 5% (v/v) heat inactivated FBS was pre...


US Patent US9359361 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GT3
More data for this
Ligand-Target Pair