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Patent code US10183954

Compile Data Set for Download or QSAR
Found 14 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))
BDBM323073
PNG
(US10183954, Example 7-P1)
Show SMILES CC[C@H](O)C1O[C@H]([C@H](CC(=O)N(C)C)S1)n1c2nc(N)[nH]c(=O)c2sc1=O
Show InChI InChI=1S/C15H21N5O5S2/c1-4-6(21)13-25-12(7(26-13)5-8(22)19(2)3)20-10-9(27-15(20)24)11(23)18-14(16)17-10/h6-7,12-13,21H,4-5H2,1-3H3,(H3,16,17,18,23)/t6-,7-,12+,13?/m0/s1
PDB

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US Patent
n/an/an/an/a 2.80E+4n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A stable HEK293-Blue-hTLR-7 cell line was purchased from InvivoGen (Cat.#: hkb-htlr7, San Diego, Calif., USA). These cells were designed for studying...


US Patent US10183954 (2019)

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


(Homo sapiens (Human))
BDBM323077
PNG
(US10183954, Example 11-P3)
Show SMILES CCCC[C@H](O)C1OC(C(CC(O)=O)S1)n1c2nc(N)[nH]c(=O)c2sc1=O
Show InChI InChI=1S/C15H20N4O6S2/c1-2-3-4-6(20)13-25-12(7(26-13)5-8(21)22)19-10-9(27-15(19)24)11(23)18-14(16)17-10/h6-7,12-13,20H,2-5H2,1H3,(H,21,22)(H3,16,17,18,23)/t6-,7?,12?,13?/m0/s1
PDB

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US Patent
n/an/an/an/a 3.21E+5n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A stable HEK293-Blue-hTLR-7 cell line was purchased from InvivoGen (Cat.#: hkb-htlr7, San Diego, Calif., USA). These cells were designed for studying...


US Patent US10183954 (2019)

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


(Homo sapiens (Human))
BDBM323078
PNG
(US10183954, Example 12-P3)
Show SMILES Nc1nc2n(C3OC(SC3CC(O)=O)[C@@H](O)CC=C)c(=O)sc2c(=O)[nH]1
Show InChI InChI=1S/C14H16N4O6S2/c1-2-3-5(19)12-24-11(6(25-12)4-7(20)21)18-9-8(26-14(18)23)10(22)17-13(15)16-9/h2,5-6,11-12,19H,1,3-4H2,(H,20,21)(H3,15,16,17,22)/t5-,6?,11?,12?/m0/s1
PDB

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US Patent
n/an/an/an/a 4.20E+4n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A stable HEK293-Blue-hTLR-7 cell line was purchased from InvivoGen (Cat.#: hkb-htlr7, San Diego, Calif., USA). These cells were designed for studying...


US Patent US10183954 (2019)

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


(Homo sapiens (Human))
BDBM323080
PNG
(US10183954, Example 14-P3)
Show SMILES Nc1nc2n(C3OC(SC3CC(O)=O)[C@@H](O)C3CC3)c(=O)sc2c(=O)[nH]1
Show InChI InChI=1S/C14H16N4O6S2/c15-13-16-9-8(10(22)17-13)26-14(23)18(9)11-5(3-6(19)20)25-12(24-11)7(21)4-1-2-4/h4-5,7,11-12,21H,1-3H2,(H,19,20)(H3,15,16,17,22)/t5?,7-,11?,12?/m0/s1
PDB

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n/an/an/an/a 1.00E+4n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A stable HEK293-Blue-hTLR-7 cell line was purchased from InvivoGen (Cat.#: hkb-htlr7, San Diego, Calif., USA). These cells were designed for studying...


US Patent US10183954 (2019)

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


(Homo sapiens (Human))
BDBM323070
PNG
(US10183954, Example 4-P1)
Show SMILES CC[C@H](O)C1O[C@H]([C@H](CC(=O)OC)S1)n1c2nc(N)[nH]c(=O)c2sc1=O
Show InChI InChI=1S/C14H18N4O6S2/c1-3-5(19)12-24-11(6(25-12)4-7(20)23-2)18-9-8(26-14(18)22)10(21)17-13(15)16-9/h5-6,11-12,19H,3-4H2,1-2H3,(H3,15,16,17,21)/t5-,6-,11+,12?/m0/s1
PDB

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



Hoffmann-La Roche Inc.

US Patent


Assay Description
A stable HEK293-Blue-hTLR-7 cell line was purchased from InvivoGen (Cat.#: hkb-htlr7, San Diego, Calif., USA). These cells were designed for studying...


US Patent US10183954 (2019)

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


(Homo sapiens (Human))
BDBM323074
PNG
(US10183954, Example 8-P1)
Show SMILES CC[C@H](O)C1O[C@H]([C@H](CC(=O)N2CCOCC2)S1)n1c2nc(N)[nH]c(=O)c2sc1=O
Show InChI InChI=1S/C17H23N5O6S2/c1-2-8(23)15-28-14(9(29-15)7-10(24)21-3-5-27-6-4-21)22-12-11(30-17(22)26)13(25)20-16(18)19-12/h8-9,14-15,23H,2-7H2,1H3,(H3,18,19,20,25)/t8-,9-,14+,15?/m0/s1
PDB

UniProtKB/SwissProt

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US Patent
n/an/an/an/a 2.50E+3n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A stable HEK293-Blue-hTLR-7 cell line was purchased from InvivoGen (Cat.#: hkb-htlr7, San Diego, Calif., USA). These cells were designed for studying...


US Patent US10183954 (2019)

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


(Homo sapiens (Human))
BDBM323079
PNG
(US10183954, Example 13-P3)
Show SMILES COC(=O)CC1SC(OC1n1c2nc(N)[nH]c(=O)c2sc1=O)[C@@H](O)C1CC1
Show InChI InChI=1S/C15H18N4O6S2/c1-24-7(20)4-6-12(25-13(26-6)8(21)5-2-3-5)19-10-9(27-15(19)23)11(22)18-14(16)17-10/h5-6,8,12-13,21H,2-4H2,1H3,(H3,16,17,18,22)/t6?,8-,12?,13?/m0/s1
PDB

UniProtKB/SwissProt

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US Patent
n/an/an/an/a 1.50E+4n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A stable HEK293-Blue-hTLR-7 cell line was purchased from InvivoGen (Cat.#: hkb-htlr7, San Diego, Calif., USA). These cells were designed for studying...


US Patent US10183954 (2019)

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


(Homo sapiens (Human))
BDBM323068
PNG
(US10183954, Example 2-P1)
Show SMILES Nc1nc2n(C3OC(CO)SC3CC(O)=O)c(=O)sc2c(=O)[nH]1
Show InChI InChI=1S/C11H12N4O6S2/c12-10-13-7-6(8(19)14-10)23-11(20)15(7)9-3(1-4(17)18)22-5(2-16)21-9/h3,5,9,16H,1-2H2,(H,17,18)(H3,12,13,14,19)
PDB

UniProtKB/SwissProt

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US Patent
n/an/an/an/a 1.44E+5n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A stable HEK293-Blue-hTLR-7 cell line was purchased from InvivoGen (Cat.#: hkb-htlr7, San Diego, Calif., USA). These cells were designed for studying...


US Patent US10183954 (2019)

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


(Homo sapiens (Human))
BDBM323069
PNG
(US10183954, Example 3-P1)
Show SMILES CN(C)C(=O)CC1SC(CO)OC1n1c2nc(N)[nH]c(=O)c2sc1=O
Show InChI InChI=1S/C13H17N5O5S2/c1-17(2)6(20)3-5-11(23-7(4-19)24-5)18-9-8(25-13(18)22)10(21)16-12(14)15-9/h5,7,11,19H,3-4H2,1-2H3,(H3,14,15,16,21)
PDB

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/an/an/a 4.69E+5n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A stable HEK293-Blue-hTLR-7 cell line was purchased from InvivoGen (Cat.#: hkb-htlr7, San Diego, Calif., USA). These cells were designed for studying...


US Patent US10183954 (2019)

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


(Homo sapiens (Human))
BDBM323071
PNG
(US10183954, Example 5-P1)
Show SMILES CC[C@H](O)C1O[C@H]([C@H](CC(O)=O)S1)n1c2nc(N)[nH]c(=O)c2sc1=O
Show InChI InChI=1S/C13H16N4O6S2/c1-2-4(18)11-23-10(5(24-11)3-6(19)20)17-8-7(25-13(17)22)9(21)16-12(14)15-8/h4-5,10-11,18H,2-3H2,1H3,(H,19,20)(H3,14,15,16,21)/t4-,5-,10+,11?/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
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US Patent
n/an/an/an/a 2.40E+4n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A stable HEK293-Blue-hTLR-7 cell line was purchased from InvivoGen (Cat.#: hkb-htlr7, San Diego, Calif., USA). These cells were designed for studying...


US Patent US10183954 (2019)

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


(Homo sapiens (Human))
BDBM323072
PNG
(US10183954, Example 6-P1)
Show SMILES CC[C@H](O)C1O[C@H]([C@H](CC(=O)NC)S1)n1c2nc(N)[nH]c(=O)c2sc1=O
Show InChI InChI=1S/C14H19N5O5S2/c1-3-5(20)12-24-11(6(25-12)4-7(21)16-2)19-9-8(26-14(19)23)10(22)18-13(15)17-9/h5-6,11-12,20H,3-4H2,1-2H3,(H,16,21)(H3,15,17,18,22)/t5-,6-,11+,12?/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2.30E+4n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A stable HEK293-Blue-hTLR-7 cell line was purchased from InvivoGen (Cat.#: hkb-htlr7, San Diego, Calif., USA). These cells were designed for studying...


US Patent US10183954 (2019)

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


(Homo sapiens (Human))
BDBM323067
PNG
(US10183954, Example 1-P1)
Show SMILES COC(=O)CC1SC(CO)OC1n1c2nc(N)[nH]c(=O)c2sc1=O
Show InChI InChI=1S/C12H14N4O6S2/c1-21-5(18)2-4-10(22-6(3-17)23-4)16-8-7(24-12(16)20)9(19)15-11(13)14-8/h4,6,10,17H,2-3H2,1H3,(H3,13,14,15,19)
PDB

UniProtKB/SwissProt

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US Patent
n/an/an/an/a 3.17E+5n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A stable HEK293-Blue-hTLR-7 cell line was purchased from InvivoGen (Cat.#: hkb-htlr7, San Diego, Calif., USA). These cells were designed for studying...


US Patent US10183954 (2019)

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


(Homo sapiens (Human))
BDBM323075
PNG
(US10183954, Example 9-P3)
Show SMILES COC(=O)CC1SC(OC1n1c2nc(N)[nH]c(=O)c2sc1=O)[C@H](C)O
Show InChI InChI=1S/C13H16N4O6S2/c1-4(18)11-23-10(5(24-11)3-6(19)22-2)17-8-7(25-13(17)21)9(20)16-12(14)15-8/h4-5,10-11,18H,3H2,1-2H3,(H3,14,15,16,20)/t4-,5?,10?,11?/m0/s1
PDB

UniProtKB/SwissProt

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US Patent
n/an/an/an/a 2.20E+4n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A stable HEK293-Blue-hTLR-7 cell line was purchased from InvivoGen (Cat.#: hkb-htlr7, San Diego, Calif., USA). These cells were designed for studying...


US Patent US10183954 (2019)

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


(Homo sapiens (Human))
BDBM323076
PNG
(US10183954, Example 10-P3)
Show SMILES C[C@H](O)C1OC(C(CC(O)=O)S1)n1c2nc(N)[nH]c(=O)c2sc1=O
Show InChI InChI=1S/C12H14N4O6S2/c1-3(17)10-22-9(4(23-10)2-5(18)19)16-7-6(24-12(16)21)8(20)15-11(13)14-7/h3-4,9-10,17H,2H2,1H3,(H,18,19)(H3,13,14,15,20)/t3-,4?,9?,10?/m0/s1
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/an/an/a 2.30E+4n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A stable HEK293-Blue-hTLR-7 cell line was purchased from InvivoGen (Cat.#: hkb-htlr7, San Diego, Calif., USA). These cells were designed for studying...


US Patent US10183954 (2019)

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