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Patent code US9334268

Compile Data Set for Download or QSAR
Found 25 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Toll-like receptor 8 (TLR8)


(Homo sapiens (Human))
BDBM227465
PNG
(US9334268, 5)
Show SMILES CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCNCCCO
Show InChI InChI=1S/C22H33N5O3/c1-4-29-14-18-26-19-20(16-8-5-6-9-17(16)25-21(19)23)27(18)15-22(2,3)30-13-11-24-10-7-12-28/h5-6,8-9,24,28H,4,7,10-15H2,1-3H3,(H2,23,25)
PDB

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US Patent
n/an/an/an/a 1.05E+4n/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells, respectively, (Invivogen, San Diego, Calif., USA) transfected with a SEAP repo...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM227472
PNG
(US9334268, 8)
Show SMILES CCOCc1nc2c(N)nc3cc(CCC(=O)OCC)ccc3c2n1CC(C)(C)OCCN
Show InChI InChI=1S/C24H35N5O4/c1-5-31-14-19-28-21-22(29(19)15-24(3,4)33-12-11-25)17-9-7-16(8-10-20(30)32-6-2)13-18(17)27-23(21)26/h7,9,13H,5-6,8,10-12,14-15,25H2,1-4H3,(H2,26,27)
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n/an/an/an/a 134n/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells, respectively, (Invivogen, San Diego, Calif., USA) transfected with a SEAP repo...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM227479
PNG
(US9334268, 11)
Show SMILES CCOCc1nc2c(N)nc3cc(Br)ccc3c2n1CC(C)(C)OCCN
Show InChI InChI=1S/C19H26BrN5O2/c1-4-26-10-15-24-16-17(25(15)11-19(2,3)27-8-7-21)13-6-5-12(20)9-14(13)23-18(16)22/h5-6,9H,4,7-8,10-11,21H2,1-3H3,(H2,22,23)
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n/an/an/an/a 130n/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells, respectively, (Invivogen, San Diego, Calif., USA) transfected with a SEAP repo...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 8 (TLR8)


(Homo sapiens (Human))
BDBM227459
PNG
(US9334268, 1)
Show SMILES CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCN
Show InChI InChI=1S/C19H27N5O2/c1-4-25-11-15-23-16-17(24(15)12-19(2,3)26-10-9-20)13-7-5-6-8-14(13)22-18(16)21/h5-8H,4,9-12,20H2,1-3H3,(H2,21,22)
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n/an/an/an/a 580n/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells, respectively, (Invivogen, San Diego, Calif., USA) transfected with a SEAP repo...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 8 (TLR8)


(Homo sapiens (Human))
BDBM227462
PNG
(US9334268, 2)
Show SMILES CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OC(=O)CN
Show InChI InChI=1S/C19H25N5O3/c1-4-26-10-14-23-16-17(12-7-5-6-8-13(12)22-18(16)21)24(14)11-19(2,3)27-15(25)9-20/h5-8H,4,9-11,20H2,1-3H3,(H2,21,22)
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n/an/an/an/a 80n/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells, respectively, (Invivogen, San Diego, Calif., USA) transfected with a SEAP repo...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 8 (TLR8)


(Homo sapiens (Human))
BDBM227463
PNG
(US9334268, 3)
Show SMILES CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCNC(=O)c1cccnc1
Show InChI InChI=1S/C25H30N6O3/c1-4-33-15-20-30-21-22(18-9-5-6-10-19(18)29-23(21)26)31(20)16-25(2,3)34-13-12-28-24(32)17-8-7-11-27-14-17/h5-11,14H,4,12-13,15-16H2,1-3H3,(H2,26,29)(H,28,32)
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n/an/an/an/a 3.50E+4n/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells, respectively, (Invivogen, San Diego, Calif., USA) transfected with a SEAP repo...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 8 (TLR8)


(Homo sapiens (Human))
BDBM227478
PNG
(US9334268, 10)
Show SMILES CCCCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCN
Show InChI InChI=1S/C21H31N5O/c1-4-5-6-11-17-25-18-19(26(17)14-21(2,3)27-13-12-22)15-9-7-8-10-16(15)24-20(18)23/h7-10H,4-6,11-14,22H2,1-3H3,(H2,23,24)
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n/an/an/an/a 2.70E+3n/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells, respectively, (Invivogen, San Diego, Calif., USA) transfected with a SEAP repo...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 8 (TLR8)


(Homo sapiens (Human))
BDBM227466
PNG
(US9334268, 6)
Show SMILES CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCNC(=O)CCCCCNC(=O)OC(C)(C)C
Show InChI InChI=1S/C30H46N6O5/c1-7-39-19-23-35-25-26(21-13-10-11-14-22(21)34-27(25)31)36(23)20-30(5,6)40-18-17-32-24(37)15-9-8-12-16-33-28(38)41-29(2,3)4/h10-11,13-14H,7-9,12,15-20H2,1-6H3,(H2,31,34)(H,32,37)(H,33,38)
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n/an/an/an/a 2.90E+3n/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells, respectively, (Invivogen, San Diego, Calif., USA) transfected with a SEAP repo...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 8 (TLR8)


(Homo sapiens (Human))
BDBM227475
PNG
(US9334268, 9)
Show SMILES CCOCc1nc2c(N)nc3cc(CCC(=O)OCC)ccc3c2n1CC(C)(C)OC(=O)CN
Show InChI InChI=1S/C24H33N5O5/c1-5-32-13-18-28-21-22(29(18)14-24(3,4)34-20(31)12-25)16-9-7-15(8-10-19(30)33-6-2)11-17(16)27-23(21)26/h7,9,11H,5-6,8,10,12-14,25H2,1-4H3,(H2,26,27)
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n/an/an/an/a 54n/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells, respectively, (Invivogen, San Diego, Calif., USA) transfected with a SEAP repo...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM227466
PNG
(US9334268, 6)
Show SMILES CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCNC(=O)CCCCCNC(=O)OC(C)(C)C
Show InChI InChI=1S/C30H46N6O5/c1-7-39-19-23-35-25-26(21-13-10-11-14-22(21)34-27(25)31)36(23)20-30(5,6)40-18-17-32-24(37)15-9-8-12-16-33-28(38)41-29(2,3)4/h10-11,13-14H,7-9,12,15-20H2,1-6H3,(H2,31,34)(H,32,37)(H,33,38)
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n/an/an/an/a 195n/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells, respectively, (Invivogen, San Diego, Calif., USA) transfected with a SEAP repo...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 8 (TLR8)


(Homo sapiens (Human))
BDBM60954
PNG
(US9334268, 1-[2-(2-Aminoethoxy)ethyl]-2-(ethoxymet...)
Show SMILES CCOCc1nc2c(N)nc3ccccc3c2n1CCOCCN
Show InChI InChI=1S/C17H23N5O2/c1-2-23-11-14-21-15-16(22(14)8-10-24-9-7-18)12-5-3-4-6-13(12)20-17(15)19/h3-6H,2,7-11,18H2,1H3,(H2,19,20)
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n/an/an/an/a 4.90E+4n/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells, respectively, (Invivogen, San Diego, Calif., USA) transfected with a SEAP repo...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 8 (TLR8)


(Homo sapiens (Human))
BDBM227479
PNG
(US9334268, 11)
Show SMILES CCOCc1nc2c(N)nc3cc(Br)ccc3c2n1CC(C)(C)OCCN
Show InChI InChI=1S/C19H26BrN5O2/c1-4-26-10-15-24-16-17(25(15)11-19(2,3)27-8-7-21)13-6-5-12(20)9-14(13)23-18(16)22/h5-6,9H,4,7-8,10-11,21H2,1-3H3,(H2,22,23)
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n/an/an/an/a 2.90E+3n/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells, respectively, (Invivogen, San Diego, Calif., USA) transfected with a SEAP repo...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM227464
PNG
(US9334268, 4)
Show SMILES CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCNC(C)=O
Show InChI InChI=1S/C21H29N5O3/c1-5-28-12-17-25-18-19(15-8-6-7-9-16(15)24-20(18)22)26(17)13-21(3,4)29-11-10-23-14(2)27/h6-9H,5,10-13H2,1-4H3,(H2,22,24)(H,23,27)
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n/an/an/an/a 27n/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells, respectively, (Invivogen, San Diego, Calif., USA) transfected with a SEAP repo...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM227471
PNG
(US9334268, 7)
Show SMILES CCOCc1nc2c(N)nc3cc(\C=C\C(=O)OCC)ccc3c2n1CC(C)(C)OCCN
Show InChI InChI=1S/C24H33N5O4/c1-5-31-14-19-28-21-22(29(19)15-24(3,4)33-12-11-25)17-9-7-16(8-10-20(30)32-6-2)13-18(17)27-23(21)26/h7-10,13H,5-6,11-12,14-15,25H2,1-4H3,(H2,26,27)/b10-8+
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n/an/an/an/a 139n/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells, respectively, (Invivogen, San Diego, Calif., USA) transfected with a SEAP repo...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM227478
PNG
(US9334268, 10)
Show SMILES CCCCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCN
Show InChI InChI=1S/C21H31N5O/c1-4-5-6-11-17-25-18-19(26(17)14-21(2,3)27-13-12-22)15-9-7-8-10-16(15)24-20(18)23/h7-10H,4-6,11-14,22H2,1-3H3,(H2,23,24)
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n/an/an/an/a 152n/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells, respectively, (Invivogen, San Diego, Calif., USA) transfected with a SEAP repo...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 8 (TLR8)


(Homo sapiens (Human))
BDBM227471
PNG
(US9334268, 7)
Show SMILES CCOCc1nc2c(N)nc3cc(\C=C\C(=O)OCC)ccc3c2n1CC(C)(C)OCCN
Show InChI InChI=1S/C24H33N5O4/c1-5-31-14-19-28-21-22(29(19)15-24(3,4)33-12-11-25)17-9-7-16(8-10-20(30)32-6-2)13-18(17)27-23(21)26/h7-10,13H,5-6,11-12,14-15,25H2,1-4H3,(H2,26,27)/b10-8+
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n/an/an/an/a 1.08E+3n/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells, respectively, (Invivogen, San Diego, Calif., USA) transfected with a SEAP repo...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM60954
PNG
(US9334268, 1-[2-(2-Aminoethoxy)ethyl]-2-(ethoxymet...)
Show SMILES CCOCc1nc2c(N)nc3ccccc3c2n1CCOCCN
Show InChI InChI=1S/C17H23N5O2/c1-2-23-11-14-21-15-16(22(14)8-10-24-9-7-18)12-5-3-4-6-13(12)20-17(15)19/h3-6H,2,7-11,18H2,1H3,(H2,19,20)
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n/an/an/an/a>1.00E+5n/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells, respectively, (Invivogen, San Diego, Calif., USA) transfected with a SEAP repo...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM227459
PNG
(US9334268, 1)
Show SMILES CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCN
Show InChI InChI=1S/C19H27N5O2/c1-4-25-11-15-23-16-17(24(15)12-19(2,3)26-10-9-20)13-7-5-6-8-14(13)22-18(16)21/h5-8H,4,9-12,20H2,1-3H3,(H2,21,22)
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n/an/an/an/a 60n/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells, respectively, (Invivogen, San Diego, Calif., USA) transfected with a SEAP repo...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM227463
PNG
(US9334268, 3)
Show SMILES CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCNC(=O)c1cccnc1
Show InChI InChI=1S/C25H30N6O3/c1-4-33-15-20-30-21-22(18-9-5-6-10-19(18)29-23(21)26)31(20)16-25(2,3)34-13-12-28-24(32)17-8-7-11-27-14-17/h5-11,14H,4,12-13,15-16H2,1-3H3,(H2,26,29)(H,28,32)
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n/an/an/an/a 223n/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells, respectively, (Invivogen, San Diego, Calif., USA) transfected with a SEAP repo...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM227465
PNG
(US9334268, 5)
Show SMILES CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCNCCCO
Show InChI InChI=1S/C22H33N5O3/c1-4-29-14-18-26-19-20(16-8-5-6-9-17(16)25-21(19)23)27(18)15-22(2,3)30-13-11-24-10-7-12-28/h5-6,8-9,24,28H,4,7,10-15H2,1-3H3,(H2,23,25)
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n/an/an/an/a 900n/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells, respectively, (Invivogen, San Diego, Calif., USA) transfected with a SEAP repo...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM227475
PNG
(US9334268, 9)
Show SMILES CCOCc1nc2c(N)nc3cc(CCC(=O)OCC)ccc3c2n1CC(C)(C)OC(=O)CN
Show InChI InChI=1S/C24H33N5O5/c1-5-32-13-18-28-21-22(29(18)14-24(3,4)34-20(31)12-25)16-9-7-15(8-10-19(30)33-6-2)11-17(16)27-23(21)26/h7,9,11H,5-6,8,10,12-14,25H2,1-4H3,(H2,26,27)
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n/an/an/an/a 55n/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells, respectively, (Invivogen, San Diego, Calif., USA) transfected with a SEAP repo...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 8 (TLR8)


(Homo sapiens (Human))
BDBM50241029
PNG
(1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quino...)
Show SMILES CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O
Show InChI InChI=1S/C17H22N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19)
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n/an/an/an/a 9.60E+3n/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells, respectively, (Invivogen, San Diego, Calif., USA) transfected with a SEAP repo...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 8 (TLR8)


(Homo sapiens (Human))
BDBM227472
PNG
(US9334268, 8)
Show SMILES CCOCc1nc2c(N)nc3cc(CCC(=O)OCC)ccc3c2n1CC(C)(C)OCCN
Show InChI InChI=1S/C24H35N5O4/c1-5-31-14-19-28-21-22(29(19)15-24(3,4)33-12-11-25)17-9-7-16(8-10-20(30)32-6-2)13-18(17)27-23(21)26/h7,9,13H,5-6,8,10-12,14-15,25H2,1-4H3,(H2,26,27)
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UniChem
US Patent
n/an/an/an/a 256n/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells, respectively, (Invivogen, San Diego, Calif., USA) transfected with a SEAP repo...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM227462
PNG
(US9334268, 2)
Show SMILES CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OC(=O)CN
Show InChI InChI=1S/C19H25N5O3/c1-4-26-10-14-23-16-17(12-7-5-6-8-13(12)22-18(16)21)24(14)11-19(2,3)27-15(25)9-20/h5-8H,4,9-11,20H2,1-3H3,(H2,21,22)
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US Patent
n/an/an/an/a 50n/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells, respectively, (Invivogen, San Diego, Calif., USA) transfected with a SEAP repo...


Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 7 (TLR7)


(Homo sapiens (Human))
BDBM50241029
PNG
(1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quino...)
Show SMILES CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O
Show InChI InChI=1S/C17H22N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19)
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n/an/an/an/a 760n/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells, respectively, (Invivogen, San Diego, Calif., USA) transfected with a SEAP repo...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%