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SMILES: CC(C)c1c([nH]c2cnc(C3CCC(CC3)NC3CCOCC3)c(F)c12)-c1cn2ncnc2c(C)c1C

InChI Key:

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 6 hits for monomerid = 655300   
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 7


(Homo sapiens (Human))
BDBM655300
PNG
(US11912703, Example 134 | US11912703, Example 232)
Show SMILES CC(C)c1c([nH]c2cnc(C3CCC(CC3)NC3CCOCC3)c(F)c12)-c1cn2ncnc2c(C)c1C |(2.45,3.23,;3.54,2.14,;5.02,2.54,;3.14,.65,;4.04,-.59,;3.14,-1.84,;1.67,-1.36,;.34,-2.13,;-.99,-1.36,;-.99,.18,;-2.33,.95,;-2.33,2.49,;-3.66,3.26,;-5,2.49,;-5,.95,;-3.66,.18,;-6.33,3.26,;-7.66,2.49,;-9,3.26,;-10.33,2.49,;-10.33,.95,;-9,.18,;-7.66,.95,;.34,.95,;.34,2.49,;1.67,.18,;5.58,-.59,;6.35,.74,;7.89,.74,;8.92,1.89,;10.33,1.26,;10.17,-.27,;8.66,-.59,;7.89,-1.93,;8.66,-3.26,;6.35,-1.93,;5.58,-3.26,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.980n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM655300
PNG
(US11912703, Example 134 | US11912703, Example 232)
Show SMILES CC(C)c1c([nH]c2cnc(C3CCC(CC3)NC3CCOCC3)c(F)c12)-c1cn2ncnc2c(C)c1C |(2.45,3.23,;3.54,2.14,;5.02,2.54,;3.14,.65,;4.04,-.59,;3.14,-1.84,;1.67,-1.36,;.34,-2.13,;-.99,-1.36,;-.99,.18,;-2.33,.95,;-2.33,2.49,;-3.66,3.26,;-5,2.49,;-5,.95,;-3.66,.18,;-6.33,3.26,;-7.66,2.49,;-9,3.26,;-10.33,2.49,;-10.33,.95,;-9,.18,;-7.66,.95,;.34,.95,;.34,2.49,;1.67,.18,;5.58,-.59,;6.35,.74,;7.89,.74,;8.92,1.89,;10.33,1.26,;10.17,-.27,;8.66,-.59,;7.89,-1.93,;8.66,-3.26,;6.35,-1.93,;5.58,-3.26,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.270n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM655300
PNG
(US11912703, Example 134 | US11912703, Example 232)
Show SMILES CC(C)c1c([nH]c2cnc(C3CCC(CC3)NC3CCOCC3)c(F)c12)-c1cn2ncnc2c(C)c1C |(2.45,3.23,;3.54,2.14,;5.02,2.54,;3.14,.65,;4.04,-.59,;3.14,-1.84,;1.67,-1.36,;.34,-2.13,;-.99,-1.36,;-.99,.18,;-2.33,.95,;-2.33,2.49,;-3.66,3.26,;-5,2.49,;-5,.95,;-3.66,.18,;-6.33,3.26,;-7.66,2.49,;-9,3.26,;-10.33,2.49,;-10.33,.95,;-9,.18,;-7.66,.95,;.34,.95,;.34,2.49,;1.67,.18,;5.58,-.59,;6.35,.74,;7.89,.74,;8.92,1.89,;10.33,1.26,;10.17,-.27,;8.66,-.59,;7.89,-1.93,;8.66,-3.26,;6.35,-1.93,;5.58,-3.26,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4.50E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM655300
PNG
(US11912703, Example 134 | US11912703, Example 232)
Show SMILES CC(C)c1c([nH]c2cnc(C3CCC(CC3)NC3CCOCC3)c(F)c12)-c1cn2ncnc2c(C)c1C |(2.45,3.23,;3.54,2.14,;5.02,2.54,;3.14,.65,;4.04,-.59,;3.14,-1.84,;1.67,-1.36,;.34,-2.13,;-.99,-1.36,;-.99,.18,;-2.33,.95,;-2.33,2.49,;-3.66,3.26,;-5,2.49,;-5,.95,;-3.66,.18,;-6.33,3.26,;-7.66,2.49,;-9,3.26,;-10.33,2.49,;-10.33,.95,;-9,.18,;-7.66,.95,;.34,.95,;.34,2.49,;1.67,.18,;5.58,-.59,;6.35,.74,;7.89,.74,;8.92,1.89,;10.33,1.26,;10.17,-.27,;8.66,-.59,;7.89,-1.93,;8.66,-3.26,;6.35,-1.93,;5.58,-3.26,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 11n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM655300
PNG
(US11912703, Example 134 | US11912703, Example 232)
Show SMILES CC(C)c1c([nH]c2cnc(C3CCC(CC3)NC3CCOCC3)c(F)c12)-c1cn2ncnc2c(C)c1C |(2.45,3.23,;3.54,2.14,;5.02,2.54,;3.14,.65,;4.04,-.59,;3.14,-1.84,;1.67,-1.36,;.34,-2.13,;-.99,-1.36,;-.99,.18,;-2.33,.95,;-2.33,2.49,;-3.66,3.26,;-5,2.49,;-5,.95,;-3.66,.18,;-6.33,3.26,;-7.66,2.49,;-9,3.26,;-10.33,2.49,;-10.33,.95,;-9,.18,;-7.66,.95,;.34,.95,;.34,2.49,;1.67,.18,;5.58,-.59,;6.35,.74,;7.89,.74,;8.92,1.89,;10.33,1.26,;10.17,-.27,;8.66,-.59,;7.89,-1.93,;8.66,-3.26,;6.35,-1.93,;5.58,-3.26,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3.20n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM655300
PNG
(US11912703, Example 134 | US11912703, Example 232)
Show SMILES CC(C)c1c([nH]c2cnc(C3CCC(CC3)NC3CCOCC3)c(F)c12)-c1cn2ncnc2c(C)c1C |(2.45,3.23,;3.54,2.14,;5.02,2.54,;3.14,.65,;4.04,-.59,;3.14,-1.84,;1.67,-1.36,;.34,-2.13,;-.99,-1.36,;-.99,.18,;-2.33,.95,;-2.33,2.49,;-3.66,3.26,;-5,2.49,;-5,.95,;-3.66,.18,;-6.33,3.26,;-7.66,2.49,;-9,3.26,;-10.33,2.49,;-10.33,.95,;-9,.18,;-7.66,.95,;.34,.95,;.34,2.49,;1.67,.18,;5.58,-.59,;6.35,.74,;7.89,.74,;8.92,1.89,;10.33,1.26,;10.17,-.27,;8.66,-.59,;7.89,-1.93,;8.66,-3.26,;6.35,-1.93,;5.58,-3.26,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.03E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair