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Patent code US9890124

Compile Data Set for Download or QSAR
Found 46 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 7


(Homo sapiens (Human))
BDBM380546
PNG
(2-amino-N,N-dipropyl-8-(3-pyrrolidin-1-ylsulfonylp...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cccc(c1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C27H34N4O3S/c1-3-12-30(13-4-2)27(32)23-16-22-11-10-21(18-25(22)29-26(28)19-23)20-8-7-9-24(17-20)35(33,34)31-14-5-6-15-31/h7-11,16-18H,3-6,12-15,19H2,1-2H3,(H2,28,29)
PDB

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US Patent
n/an/an/an/a>1.00E+5n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380610
PNG
(2-Amino-8-[3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfon...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cccc(c1C)S(=O)(=O)N1CC[C@@H](O)C1
Show InChI InChI=1S/C28H36N4O4S/c1-4-12-31(13-5-2)28(34)22-15-21-10-9-20(16-25(21)30-27(29)17-22)24-7-6-8-26(19(24)3)37(35,36)32-14-11-23(33)18-32/h6-10,15-16,23,33H,4-5,11-14,17-18H2,1-3H3,(H2,29,30)/t23-/m1/s1
PDB

UniProtKB/SwissProt

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US Patent
n/an/an/an/a 9n/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 US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380584
PNG
(2-Amino-N,N-dipropyl-8-(5-sulfamoyl-3-pyridyl)-3H-...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cncc(c1)S(N)(=O)=O
Show InChI InChI=1S/C22H27N5O3S/c1-3-7-27(8-4-2)22(28)17-9-16-6-5-15(11-20(16)26-21(23)12-17)18-10-19(14-25-13-18)31(24,29)30/h5-6,9-11,13-14H,3-4,7-8,12H2,1-2H3,(H2,23,26)(H2,24,29,30)
PDB

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US Patent
n/an/an/an/a 5.00E+3n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380598
PNG
(2-Amino-8-[3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfon...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cccc(c1)S(=O)(=O)N1CC[C@@H](O)C1
Show InChI InChI=1S/C27H34N4O4S/c1-3-11-30(12-4-2)27(33)22-14-21-9-8-20(16-25(21)29-26(28)17-22)19-6-5-7-24(15-19)36(34,35)31-13-10-23(32)18-31/h5-9,14-16,23,32H,3-4,10-13,17-18H2,1-2H3,(H2,28,29)/t23-/m1/s1
PDB

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US Patent
n/an/an/an/a 1.80E+4n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380606
PNG
(2-Amino-8-[3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfon...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1ccc(OC)c(c1)S(=O)(=O)N1CC[C@@H](O)C1
Show InChI InChI=1S/C28H36N4O5S/c1-4-11-31(12-5-2)28(34)22-14-21-7-6-19(15-24(21)30-27(29)17-22)20-8-9-25(37-3)26(16-20)38(35,36)32-13-10-23(33)18-32/h6-9,14-16,23,33H,4-5,10-13,17-18H2,1-3H3,(H2,29,30)/t23-/m1/s1
PDB

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US Patent
n/an/an/an/a 4n/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 US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380611
PNG
(2-Amino-8-(5-piperazin-1-ylsulfonyl-3-pyridyl)-N,N...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cncc(c1)S(=O)(=O)N1CCNCC1
Show InChI InChI=1S/C26H34N6O3S/c1-3-9-31(10-4-2)26(33)21-13-20-6-5-19(15-24(20)30-25(27)16-21)22-14-23(18-29-17-22)36(34,35)32-11-7-28-8-12-32/h5-6,13-15,17-18,28H,3-4,7-12,16H2,1-2H3,(H2,27,30)
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n/an/an/an/a 5.00E+3n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380542
PNG
(2-Amino-8-[3-(2-hydroxyethylsulfamoyl)phenyl]-N,N-...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cccc(c1)S(=O)(=O)NCCO
Show InChI InChI=1S/C25H32N4O4S/c1-3-11-29(12-4-2)25(31)21-14-20-9-8-19(16-23(20)28-24(26)17-21)18-6-5-7-22(15-18)34(32,33)27-10-13-30/h5-9,14-16,27,30H,3-4,10-13,17H2,1-2H3,(H2,26,28)
PDB

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US Patent
n/an/an/an/a 6n/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 US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380542
PNG
(2-Amino-8-[3-(2-hydroxyethylsulfamoyl)phenyl]-N,N-...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cccc(c1)S(=O)(=O)NCCO
Show InChI InChI=1S/C25H32N4O4S/c1-3-11-29(12-4-2)25(31)21-14-20-9-8-19(16-23(20)28-24(26)17-21)18-6-5-7-22(15-18)34(32,33)27-10-13-30/h5-9,14-16,27,30H,3-4,10-13,17H2,1-2H3,(H2,26,28)
PDB

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US Patent
n/an/an/an/a 7.00E+3n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380597
PNG
(2-Amino-8-[4-(3-hydroxypyrrolidin-1-yl)sulfonylphe...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1ccc(cc1)S(=O)(=O)N1CCC(O)C1
Show InChI InChI=1S/C27H34N4O4S/c1-3-12-30(13-4-2)27(33)22-15-21-6-5-20(16-25(21)29-26(28)17-22)19-7-9-24(10-8-19)36(34,35)31-14-11-23(32)18-31/h5-10,15-16,23,32H,3-4,11-14,17-18H2,1-2H3,(H2,28,29)
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US Patent
n/an/an/an/a 1.04E+5n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380603
PNG
(2-Amino-8-[3-(6-hydroxyhexylsulfamoyl)phenyl]-N,N-...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cccc(c1)S(=O)(=O)NCCCCCCO
Show InChI InChI=1S/C29H40N4O4S/c1-3-15-33(16-4-2)29(35)25-18-24-13-12-23(20-27(24)32-28(30)21-25)22-10-9-11-26(19-22)38(36,37)31-14-7-5-6-8-17-34/h9-13,18-20,31,34H,3-8,14-17,21H2,1-2H3,(H2,30,32)
PDB

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US Patent
n/an/an/an/a 8n/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 US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380613
PNG
(2-Amino-8-[5-(3-aminopyrrolidin-1-yl)sulfonyl-3-py...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cncc(c1)S(=O)(=O)N1CCC(N)C1
Show InChI InChI=1S/C26H34N6O3S/c1-3-8-31(9-4-2)26(33)20-11-19-6-5-18(13-24(19)30-25(28)14-20)21-12-23(16-29-15-21)36(34,35)32-10-7-22(27)17-32/h5-6,11-13,15-16,22H,3-4,7-10,14,17,27H2,1-2H3,(H2,28,30)
PDB

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US Patent
n/an/an/an/a 31n/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 US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380600
PNG
(2-Amino-8-[3-(3-hydroxyazetidin-1-yl)sulfonylpheny...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cccc(c1)S(=O)(=O)N1CC(O)C1
Show InChI InChI=1S/C26H32N4O4S/c1-3-10-29(11-4-2)26(32)21-12-20-9-8-19(14-24(20)28-25(27)15-21)18-6-5-7-23(13-18)35(33,34)30-16-22(31)17-30/h5-9,12-14,22,31H,3-4,10-11,15-17H2,1-2H3,(H2,27,28)
PDB

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US Patent
n/an/an/an/a 1.70E+4n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380607
PNG
(2-Amino-8-[3-[3-(hydroxymethyl)azetidin-1-yl]sulfo...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cccc(c1)S(=O)(=O)N1CC(CO)C1
Show InChI InChI=1S/C27H34N4O4S/c1-3-10-30(11-4-2)27(33)23-12-22-9-8-21(14-25(22)29-26(28)15-23)20-6-5-7-24(13-20)36(34,35)31-16-19(17-31)18-32/h5-9,12-14,19,32H,3-4,10-11,15-18H2,1-2H3,(H2,28,29)
PDB

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US Patent
n/an/an/an/a 2.60E+4n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380541
PNG
(2-Amino-N,N-dipropyl-8-(3-sulfamoylphenyl)-3H-1-be...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(C1)NC(=O)OC(C)(C)C)-c1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C28H36N4O5S/c1-6-13-32(14-7-2)26(33)22-15-21-12-11-20(19-9-8-10-23(16-19)38(29,35)36)17-24(21)30-25(18-22)31-27(34)37-28(3,4)5/h8-12,15-17H,6-7,13-14,18H2,1-5H3,(H2,29,35,36)(H,30,31,34)
PDB

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US Patent
n/an/an/an/a 6n/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 US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380596
PNG
(2-Amino-8-[3-(3-hydroxypyrrolidin-1-yl)sulfonylphe...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cccc(c1)S(=O)(=O)N1CCC(O)C1
Show InChI InChI=1S/C27H34N4O4S/c1-3-11-30(12-4-2)27(33)22-14-21-9-8-20(16-25(21)29-26(28)17-22)19-6-5-7-24(15-19)36(34,35)31-13-10-23(32)18-31/h5-9,14-16,23,32H,3-4,10-13,17-18H2,1-2H3,(H2,28,29)
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/an/an/a 3n/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 US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380597
PNG
(2-Amino-8-[4-(3-hydroxypyrrolidin-1-yl)sulfonylphe...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1ccc(cc1)S(=O)(=O)N1CCC(O)C1
Show InChI InChI=1S/C27H34N4O4S/c1-3-12-30(13-4-2)27(33)22-15-21-6-5-20(16-25(21)29-26(28)17-22)19-7-9-24(10-8-19)36(34,35)31-14-11-23(32)18-31/h5-10,15-16,23,32H,3-4,11-14,17-18H2,1-2H3,(H2,28,29)
PDB

UniProtKB/SwissProt

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US Patent
n/an/an/an/a 10n/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 US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380599
PNG
(2-Amino-8-[3-[(3S)-3-hydroxypyrrolidin-1-yl]sulfon...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cccc(c1)S(=O)(=O)N1CC[C@H](O)C1
Show InChI InChI=1S/C27H34N4O4S/c1-3-11-30(12-4-2)27(33)22-14-21-9-8-20(16-25(21)29-26(28)17-22)19-6-5-7-24(15-19)36(34,35)31-13-10-23(32)18-31/h5-9,14-16,23,32H,3-4,10-13,17-18H2,1-2H3,(H2,28,29)/t23-/m0/s1
PDB

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n/an/an/an/a 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 US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380601
PNG
(2-Amino-8-[3-[2-hydroxyethyl(methyl)sulfamoyl]phen...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cccc(c1)S(=O)(=O)N(C)CCO
Show InChI InChI=1S/C26H34N4O4S/c1-4-11-30(12-5-2)26(32)22-15-21-10-9-20(17-24(21)28-25(27)18-22)19-7-6-8-23(16-19)35(33,34)29(3)13-14-31/h6-10,15-17,31H,4-5,11-14,18H2,1-3H3,(H2,27,28)
PDB

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n/an/an/an/a 4n/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 US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380610
PNG
(2-Amino-8-[3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfon...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cccc(c1C)S(=O)(=O)N1CC[C@@H](O)C1
Show InChI InChI=1S/C28H36N4O4S/c1-4-12-31(13-5-2)28(34)22-15-21-10-9-20(16-25(21)30-27(29)17-22)24-7-6-8-26(19(24)3)37(35,36)32-14-11-23(33)18-32/h6-10,15-16,23,33H,4-5,11-14,17-18H2,1-3H3,(H2,29,30)/t23-/m1/s1
PDB

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US Patent
n/an/an/an/a 1.40E+4n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380614
PNG
(2-Amino-8-[3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfon...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cc(C)cc(c1)S(=O)(=O)N1CC[C@@H](O)C1
Show InChI InChI=1S/C28H36N4O4S/c1-4-9-31(10-5-2)28(34)23-14-21-7-6-20(16-26(21)30-27(29)17-23)22-12-19(3)13-25(15-22)37(35,36)32-11-8-24(33)18-32/h6-7,12-16,24,33H,4-5,8-11,17-18H2,1-3H3,(H2,29,30)/t24-/m1/s1
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/an/an/a 6n/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 US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380614
PNG
(2-Amino-8-[3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfon...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cc(C)cc(c1)S(=O)(=O)N1CC[C@@H](O)C1
Show InChI InChI=1S/C28H36N4O4S/c1-4-9-31(10-5-2)28(34)23-14-21-7-6-20(16-26(21)30-27(29)17-23)22-12-19(3)13-25(15-22)37(35,36)32-11-8-24(33)18-32/h6-7,12-16,24,33H,4-5,8-11,17-18H2,1-3H3,(H2,29,30)/t24-/m1/s1
PDB

UniProtKB/SwissProt

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US Patent
n/an/an/an/a 1.30E+4n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380596
PNG
(2-Amino-8-[3-(3-hydroxypyrrolidin-1-yl)sulfonylphe...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cccc(c1)S(=O)(=O)N1CCC(O)C1
Show InChI InChI=1S/C27H34N4O4S/c1-3-11-30(12-4-2)27(33)22-14-21-9-8-20(16-25(21)29-26(28)17-22)19-6-5-7-24(15-19)36(34,35)31-13-10-23(32)18-31/h5-9,14-16,23,32H,3-4,10-13,17-18H2,1-2H3,(H2,28,29)
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/an/an/a 1.03E+5n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380598
PNG
(2-Amino-8-[3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfon...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cccc(c1)S(=O)(=O)N1CC[C@@H](O)C1
Show InChI InChI=1S/C27H34N4O4S/c1-3-11-30(12-4-2)27(33)22-14-21-9-8-20(16-25(21)29-26(28)17-22)19-6-5-7-24(15-19)36(34,35)31-13-10-23(32)18-31/h5-9,14-16,23,32H,3-4,10-13,17-18H2,1-2H3,(H2,28,29)/t23-/m1/s1
PDB

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US Patent
n/an/an/an/a 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 US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380608
PNG
(2-Amino-8-[3-[[(3R)-3-hydroxy-1-piperidyl]sulfonyl...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cccc(c1)S(=O)(=O)N1CCC[C@@H](O)C1
Show InChI InChI=1S/C28H36N4O4S/c1-3-12-31(13-4-2)28(34)23-15-22-11-10-21(17-26(22)30-27(29)18-23)20-7-5-9-25(16-20)37(35,36)32-14-6-8-24(33)19-32/h5,7,9-11,15-17,24,33H,3-4,6,8,12-14,18-19H2,1-2H3,(H2,29,30)/t24-/m1/s1
PDB

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US Patent
n/an/an/an/a 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 US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380609
PNG
(2-Amino-8-[3-[[(3S)-3-hydroxy-1-piperidyl]sulfonyl...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cccc(c1)S(=O)(=O)N1CCC[C@H](O)C1
Show InChI InChI=1S/C28H36N4O4S/c1-3-12-31(13-4-2)28(34)23-15-22-11-10-21(17-26(22)30-27(29)18-23)20-7-5-9-25(16-20)37(35,36)32-14-6-8-24(33)19-32/h5,7,9-11,15-17,24,33H,3-4,6,8,12-14,18-19H2,1-2H3,(H2,29,30)/t24-/m0/s1
PDB

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n/an/an/an/a 6n/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 US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380609
PNG
(2-Amino-8-[3-[[(3S)-3-hydroxy-1-piperidyl]sulfonyl...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cccc(c1)S(=O)(=O)N1CCC[C@H](O)C1
Show InChI InChI=1S/C28H36N4O4S/c1-3-12-31(13-4-2)28(34)23-15-22-11-10-21(17-26(22)30-27(29)18-23)20-7-5-9-25(16-20)37(35,36)32-14-6-8-24(33)19-32/h5,7,9-11,15-17,24,33H,3-4,6,8,12-14,18-19H2,1-2H3,(H2,29,30)/t24-/m0/s1
PDB

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n/an/an/an/a>1.00E+5n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380611
PNG
(2-Amino-8-(5-piperazin-1-ylsulfonyl-3-pyridyl)-N,N...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cncc(c1)S(=O)(=O)N1CCNCC1
Show InChI InChI=1S/C26H34N6O3S/c1-3-9-31(10-4-2)26(33)21-13-20-6-5-19(15-24(20)30-25(27)16-21)22-14-23(18-29-17-22)36(34,35)32-11-7-28-8-12-32/h5-6,13-15,17-18,28H,3-4,7-12,16H2,1-2H3,(H2,27,30)
PDB

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n/an/an/an/a 17n/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 US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380612
PNG
(2-Amino-8-(3-piperazin-1-ylsulfonylphenyl)-N,N-dip...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cccc(c1)S(=O)(=O)N1CCNCC1
Show InChI InChI=1S/C27H35N5O3S/c1-3-12-31(13-4-2)27(33)23-16-22-9-8-21(18-25(22)30-26(28)19-23)20-6-5-7-24(17-20)36(34,35)32-14-10-29-11-15-32/h5-9,16-18,29H,3-4,10-15,19H2,1-2H3,(H2,28,30)
PDB

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US Patent
n/an/an/an/a 18n/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 US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380612
PNG
(2-Amino-8-(3-piperazin-1-ylsulfonylphenyl)-N,N-dip...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cccc(c1)S(=O)(=O)N1CCNCC1
Show InChI InChI=1S/C27H35N5O3S/c1-3-12-31(13-4-2)27(33)23-16-22-9-8-21(18-25(22)30-26(28)19-23)20-6-5-7-24(17-20)36(34,35)32-14-10-29-11-15-32/h5-9,16-18,29H,3-4,10-15,19H2,1-2H3,(H2,28,30)
PDB

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n/an/an/an/a>1.00E+5n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380599
PNG
(2-Amino-8-[3-[(3S)-3-hydroxypyrrolidin-1-yl]sulfon...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cccc(c1)S(=O)(=O)N1CC[C@H](O)C1
Show InChI InChI=1S/C27H34N4O4S/c1-3-11-30(12-4-2)27(33)22-14-21-9-8-20(16-25(21)29-26(28)17-22)19-6-5-7-24(15-19)36(34,35)31-13-10-23(32)18-31/h5-9,14-16,23,32H,3-4,10-13,17-18H2,1-2H3,(H2,28,29)/t23-/m0/s1
PDB

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n/an/an/an/a 2.40E+4n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380600
PNG
(2-Amino-8-[3-(3-hydroxyazetidin-1-yl)sulfonylpheny...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cccc(c1)S(=O)(=O)N1CC(O)C1
Show InChI InChI=1S/C26H32N4O4S/c1-3-10-29(11-4-2)26(32)21-12-20-9-8-19(14-24(20)28-25(27)15-21)18-6-5-7-23(13-18)35(33,34)30-16-22(31)17-30/h5-9,12-14,22,31H,3-4,10-11,15-17H2,1-2H3,(H2,27,28)
PDB

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GoogleScholar
UniChem
US Patent
n/an/an/an/a 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 US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380604
PNG
(2-Amino-8-[3-[(4-hydroxy-1-piperidyl)sulfonyl]phen...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cccc(c1)S(=O)(=O)N1CCC(O)CC1
Show InChI InChI=1S/C28H36N4O4S/c1-3-12-31(13-4-2)28(34)23-16-22-9-8-21(18-26(22)30-27(29)19-23)20-6-5-7-25(17-20)37(35,36)32-14-10-24(33)11-15-32/h5-9,16-18,24,33H,3-4,10-15,19H2,1-2H3,(H2,29,30)
PDB

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n/an/an/an/a 1.70E+4n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380613
PNG
(2-Amino-8-[5-(3-aminopyrrolidin-1-yl)sulfonyl-3-py...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cncc(c1)S(=O)(=O)N1CCC(N)C1
Show InChI InChI=1S/C26H34N6O3S/c1-3-8-31(9-4-2)26(33)20-11-19-6-5-18(13-24(19)30-25(28)14-20)21-12-23(16-29-15-21)36(34,35)32-10-7-22(27)17-32/h5-6,11-13,15-16,22H,3-4,7-10,14,17,27H2,1-2H3,(H2,28,30)
PDB

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n/an/an/an/a 1.70E+4n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380541
PNG
(2-Amino-N,N-dipropyl-8-(3-sulfamoylphenyl)-3H-1-be...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(C1)NC(=O)OC(C)(C)C)-c1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C28H36N4O5S/c1-6-13-32(14-7-2)26(33)22-15-21-12-11-20(19-9-8-10-23(16-19)38(29,35)36)17-24(21)30-25(18-22)31-27(34)37-28(3,4)5/h8-12,15-17H,6-7,13-14,18H2,1-5H3,(H2,29,35,36)(H,30,31,34)
PDB

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n/an/an/an/a 3.00E+3n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380607
PNG
(2-Amino-8-[3-[3-(hydroxymethyl)azetidin-1-yl]sulfo...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cccc(c1)S(=O)(=O)N1CC(CO)C1
Show InChI InChI=1S/C27H34N4O4S/c1-3-10-30(11-4-2)27(33)23-12-22-9-8-21(14-25(22)29-26(28)15-23)20-6-5-7-24(13-20)36(34,35)31-16-19(17-31)18-32/h5-9,12-14,19,32H,3-4,10-11,15-18H2,1-2H3,(H2,28,29)
PDB

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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 US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380608
PNG
(2-Amino-8-[3-[[(3R)-3-hydroxy-1-piperidyl]sulfonyl...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cccc(c1)S(=O)(=O)N1CCC[C@@H](O)C1
Show InChI InChI=1S/C28H36N4O4S/c1-3-12-31(13-4-2)28(34)23-15-22-11-10-21(17-26(22)30-27(29)18-23)20-7-5-9-25(16-20)37(35,36)32-14-6-8-24(33)19-32/h5,7,9-11,15-17,24,33H,3-4,6,8,12-14,18-19H2,1-2H3,(H2,29,30)/t24-/m1/s1
PDB

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n/an/an/an/a>1.00E+5n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380546
PNG
(2-amino-N,N-dipropyl-8-(3-pyrrolidin-1-ylsulfonylp...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cccc(c1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C27H34N4O3S/c1-3-12-30(13-4-2)27(32)23-16-22-11-10-21(18-25(22)29-26(28)19-23)20-8-7-9-24(17-20)35(33,34)31-14-5-6-15-31/h7-11,16-18H,3-6,12-15,19H2,1-2H3,(H2,28,29)
PDB

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n/an/an/an/a 6n/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 US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380601
PNG
(2-Amino-8-[3-[2-hydroxyethyl(methyl)sulfamoyl]phen...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cccc(c1)S(=O)(=O)N(C)CCO
Show InChI InChI=1S/C26H34N4O4S/c1-4-11-30(12-5-2)26(32)22-15-21-10-9-20(17-24(21)28-25(27)18-22)19-7-6-8-23(16-19)35(33,34)29(3)13-14-31/h6-10,15-17,31H,4-5,11-14,18H2,1-3H3,(H2,27,28)
PDB

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n/an/an/an/a 2.00E+4n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380602
PNG
(2-Amino-8-[3-[2-(2-hydroxyethoxy)ethylsulfamoyl]ph...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cccc(c1)S(=O)(=O)NCCOCCO
Show InChI InChI=1S/C27H36N4O5S/c1-3-11-31(12-4-2)27(33)23-16-22-9-8-21(18-25(22)30-26(28)19-23)20-6-5-7-24(17-20)37(34,35)29-10-14-36-15-13-32/h5-9,16-18,29,32H,3-4,10-15,19H2,1-2H3,(H2,28,30)
PDB

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n/an/an/an/a 8n/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 US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380602
PNG
(2-Amino-8-[3-[2-(2-hydroxyethoxy)ethylsulfamoyl]ph...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cccc(c1)S(=O)(=O)NCCOCCO
Show InChI InChI=1S/C27H36N4O5S/c1-3-11-31(12-4-2)27(33)23-16-22-9-8-21(18-25(22)30-26(28)19-23)20-6-5-7-24(17-20)37(34,35)29-10-14-36-15-13-32/h5-9,16-18,29,32H,3-4,10-15,19H2,1-2H3,(H2,28,30)
PDB

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n/an/an/an/a 1.20E+4n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380603
PNG
(2-Amino-8-[3-(6-hydroxyhexylsulfamoyl)phenyl]-N,N-...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cccc(c1)S(=O)(=O)NCCCCCCO
Show InChI InChI=1S/C29H40N4O4S/c1-3-15-33(16-4-2)29(35)25-18-24-13-12-23(20-27(24)32-28(30)21-25)22-10-9-11-26(19-22)38(36,37)31-14-7-5-6-8-17-34/h9-13,18-20,31,34H,3-8,14-17,21H2,1-2H3,(H2,30,32)
PDB

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n/an/an/an/a 1.20E+4n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380604
PNG
(2-Amino-8-[3-[(4-hydroxy-1-piperidyl)sulfonyl]phen...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cccc(c1)S(=O)(=O)N1CCC(O)CC1
Show InChI InChI=1S/C28H36N4O4S/c1-3-12-31(13-4-2)28(34)23-16-22-9-8-21(18-26(22)30-27(29)19-23)20-6-5-7-25(17-20)37(35,36)32-14-10-24(33)11-15-32/h5-9,16-18,24,33H,3-4,10-15,19H2,1-2H3,(H2,29,30)
PDB

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n/an/an/an/a 4n/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 US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380605
PNG
(2-Amino-8-[3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfon...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cc(cc(c1)S(=O)(=O)N1CC[C@@H](O)C1)C(F)(F)F
Show InChI InChI=1S/C28H33F3N4O4S/c1-3-8-34(9-4-2)27(37)21-11-19-6-5-18(14-25(19)33-26(32)15-21)20-12-22(28(29,30)31)16-24(13-20)40(38,39)35-10-7-23(36)17-35/h5-6,11-14,16,23,36H,3-4,7-10,15,17H2,1-2H3,(H2,32,33)/t23-/m1/s1
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/an/an/a 9n/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 US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380605
PNG
(2-Amino-8-[3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfon...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cc(cc(c1)S(=O)(=O)N1CC[C@@H](O)C1)C(F)(F)F
Show InChI InChI=1S/C28H33F3N4O4S/c1-3-8-34(9-4-2)27(37)21-11-19-6-5-18(14-25(19)33-26(32)15-21)20-12-22(28(29,30)31)16-24(13-20)40(38,39)35-10-7-23(36)17-35/h5-6,11-14,16,23,36H,3-4,7-10,15,17H2,1-2H3,(H2,32,33)/t23-/m1/s1
PDB

UniProtKB/SwissProt

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n/an/an/an/a>1.00E+5n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380606
PNG
(2-Amino-8-[3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfon...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1ccc(OC)c(c1)S(=O)(=O)N1CC[C@@H](O)C1
Show InChI InChI=1S/C28H36N4O5S/c1-4-11-31(12-5-2)28(34)22-14-21-7-6-19(15-24(21)30-27(29)17-22)20-8-9-25(37-3)26(16-20)38(35,36)32-13-10-23(33)18-32/h6-9,14-16,23,33H,4-5,10-13,17-18H2,1-3H3,(H2,29,30)/t23-/m1/s1
PDB

UniProtKB/SwissProt

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n/an/an/an/a 1.70E+4n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent




US Patent US9890124 (2018)

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


(Homo sapiens (Human))
BDBM380584
PNG
(2-Amino-N,N-dipropyl-8-(5-sulfamoyl-3-pyridyl)-3H-...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cncc(c1)S(N)(=O)=O
Show InChI InChI=1S/C22H27N5O3S/c1-3-7-27(8-4-2)22(28)17-9-16-6-5-15(11-20(16)26-21(23)12-17)18-10-19(14-25-13-18)31(24,29)30/h5-6,9-11,13-14H,3-4,7-8,12H2,1-2H3,(H2,23,26)(H2,24,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/an/an/a 23n/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 US9890124 (2018)

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