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Patent code US10654856

Compile Data Set for Download or QSAR
Found 20 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))
BDBM443378
PNG
(US10654856, Compound 4)
Show SMILES CCCOc1nc(N)c2[nH]cc(Cc3ccc(CN4CCC(O)C4)cc3)c2n1
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n/an/an/an/a 550n/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
The compounds were gradient diluted with DMSO in 3-fold using liquid work station POD starting at a concentration of 10 mmol/L and 10 points were dil...


US Patent US10654856 (2020)

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


(Homo sapiens (Human))
BDBM50440284
PNG
(CHEMBL2424780 | US10457681, Compound Vesatolimod |...)
Show SMILES CCCCOc1nc(N)c2NC(=O)CN(Cc3cccc(CN4CCCC4)c3)c2n1
Show InChI InChI=1S/C22H30N6O2/c1-2-3-11-30-22-25-20(23)19-21(26-22)28(15-18(29)24-19)14-17-8-6-7-16(12-17)13-27-9-4-5-10-27/h6-8,12H,2-5,9-11,13-15H2,1H3,(H,24,29)(H2,23,25,26)
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n/an/an/an/a 7.87E+3n/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
The compounds were gradient diluted with DMSO in 3-fold using liquid work station POD starting at a concentration of 10 mmol/L and 10 points were dil...


US Patent US10654856 (2020)

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


(Homo sapiens (Human))
BDBM443376
PNG
(US10654856, Compound 2)
Show SMILES CCCOc1nc(N)c2[nH]cc(Cc3ccc(CN4CCC(F)(F)C4)cc3)c2n1
Show InChI InChI=1S/C21H25F2N5O/c1-2-9-29-20-26-17-16(11-25-18(17)19(24)27-20)10-14-3-5-15(6-4-14)12-28-8-7-21(22,23)13-28/h3-6,11,25H,2,7-10,12-13H2,1H3,(H2,24,26,27)
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n/an/an/an/a 2.55E+4n/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
The compounds were gradient diluted with DMSO in 3-fold using liquid work station POD starting at a concentration of 10 mmol/L and 10 points were dil...


US Patent US10654856 (2020)

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


(Homo sapiens (Human))
BDBM443377
PNG
(US10654856, Compound 3)
Show SMILES CCCOc1nc(N)c2[nH]cc(Cc3ccc(CN4CCC(F)C4)cc3)c2n1
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n/an/an/an/a 550n/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
The compounds were gradient diluted with DMSO in 3-fold using liquid work station POD starting at a concentration of 10 mmol/L and 10 points were dil...


US Patent US10654856 (2020)

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


(Homo sapiens (Human))
BDBM443379
PNG
(US10654856, Compound 5)
Show SMILES CCCOc1nc(N)c2[nH]cc(Cc3ccc(CN4CCCCC4)cc3)c2n1
Show InChI InChI=1S/C22H29N5O/c1-2-12-28-22-25-19-18(14-24-20(19)21(23)26-22)13-16-6-8-17(9-7-16)15-27-10-4-3-5-11-27/h6-9,14,24H,2-5,10-13,15H2,1H3,(H2,23,25,26)
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n/an/an/an/a 550n/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
The compounds were gradient diluted with DMSO in 3-fold using liquid work station POD starting at a concentration of 10 mmol/L and 10 points were dil...


US Patent US10654856 (2020)

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


(Homo sapiens (Human))
BDBM443384
PNG
(US10654856, Compound 10)
Show SMILES CCCOc1nc(N)c2[nH]cc(Cc3ccc(CN(CCC)CCC)cc3)c2n1
Show InChI InChI=1S/C23H33N5O/c1-4-11-28(12-5-2)16-18-9-7-17(8-10-18)14-19-15-25-21-20(19)26-23(27-22(21)24)29-13-6-3/h7-10,15,25H,4-6,11-14,16H2,1-3H3,(H2,24,26,27)
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n/an/an/an/a 550n/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
The compounds were gradient diluted with DMSO in 3-fold using liquid work station POD starting at a concentration of 10 mmol/L and 10 points were dil...


US Patent US10654856 (2020)

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


(Homo sapiens (Human))
BDBM443375
PNG
(US10654856, Compound 1)
Show SMILES CCCOc1nc(N)c2[nH]cc(Cc3ccc(CN4CCCC4)cc3)c2n1
Show InChI InChI=1S/C21H27N5O/c1-2-11-27-21-24-18-17(13-23-19(18)20(22)25-21)12-15-5-7-16(8-6-15)14-26-9-3-4-10-26/h5-8,13,23H,2-4,9-12,14H2,1H3,(H2,22,24,25)
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n/an/an/an/a 1.16E+4n/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
The compounds were gradient diluted with DMSO in 3-fold using liquid work station POD starting at a concentration of 10 mmol/L and 10 points were dil...


US Patent US10654856 (2020)

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


(Homo sapiens (Human))
BDBM443381
PNG
(US10654856, Compound 7)
Show SMILES CCCOc1nc(N)c2[nH]cc(Cc3ccc(CN4CCN(C)CC4)cc3)c2n1
Show InChI InChI=1S/C22H30N6O/c1-3-12-29-22-25-19-18(14-24-20(19)21(23)26-22)13-16-4-6-17(7-5-16)15-28-10-8-27(2)9-11-28/h4-7,14,24H,3,8-13,15H2,1-2H3,(H2,23,25,26)
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n/an/an/an/a 2.55E+4n/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
The compounds were gradient diluted with DMSO in 3-fold using liquid work station POD starting at a concentration of 10 mmol/L and 10 points were dil...


US Patent US10654856 (2020)

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


(Homo sapiens (Human))
BDBM443383
PNG
(US10654856, Compound 9)
Show SMILES CCCOc1nc(N)c2[nH]cc(Cc3ccc(CN(CC)CC)cc3)c2n1
Show InChI InChI=1S/C21H29N5O/c1-4-11-27-21-24-18-17(13-23-19(18)20(22)25-21)12-15-7-9-16(10-8-15)14-26(5-2)6-3/h7-10,13,23H,4-6,11-12,14H2,1-3H3,(H2,22,24,25)
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n/an/an/an/a 550n/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
The compounds were gradient diluted with DMSO in 3-fold using liquid work station POD starting at a concentration of 10 mmol/L and 10 points were dil...


US Patent US10654856 (2020)

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


(Homo sapiens (Human))
BDBM443391
PNG
(US10654856, Compound 16)
Show SMILES CCCOc1nc(N)c2[nH]cc(Cc3ccc(CN4CCN(CC4)C(C)C)cc3)c2n1
Show InChI InChI=1S/C24H34N6O/c1-4-13-31-24-27-21-20(15-26-22(21)23(25)28-24)14-18-5-7-19(8-6-18)16-29-9-11-30(12-10-29)17(2)3/h5-8,15,17,26H,4,9-14,16H2,1-3H3,(H2,25,27,28)
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n/an/an/an/a 550n/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
The compounds were gradient diluted with DMSO in 3-fold using liquid work station POD starting at a concentration of 10 mmol/L and 10 points were dil...


US Patent US10654856 (2020)

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


(Homo sapiens (Human))
BDBM443375
PNG
(US10654856, Compound 1)
Show SMILES CCCOc1nc(N)c2[nH]cc(Cc3ccc(CN4CCCC4)cc3)c2n1
Show InChI InChI=1S/C21H27N5O/c1-2-11-27-21-24-18-17(13-23-19(18)20(22)25-21)12-15-5-7-16(8-6-15)14-26-9-3-4-10-26/h5-8,13,23H,2-4,9-12,14H2,1H3,(H2,22,24,25)
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n/an/an/an/a 160n/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
The compounds were gradient diluted with DMSO in 3-fold using liquid work station POD starting at a concentration of 10 mmol/L and 10 points were dil...


US Patent US10654856 (2020)

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


(Homo sapiens (Human))
BDBM443382
PNG
(US10654856, Compound 8)
Show SMILES CCCOc1nc(N)c2[nH]cc(Cc3ccc(CN(C)C)cc3)c2n1
Show InChI InChI=1S/C19H25N5O/c1-4-9-25-19-22-16-15(11-21-17(16)18(20)23-19)10-13-5-7-14(8-6-13)12-24(2)3/h5-8,11,21H,4,9-10,12H2,1-3H3,(H2,20,22,23)
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n/an/an/an/a 550n/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
The compounds were gradient diluted with DMSO in 3-fold using liquid work station POD starting at a concentration of 10 mmol/L and 10 points were dil...


US Patent US10654856 (2020)

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


(Homo sapiens (Human))
BDBM443386
PNG
(US10654856, Compound 11)
Show SMILES CCCOc1nc(N)c2[nH]cc(Cc3ccc(CN4CCC4)cc3)c2n1
Show InChI InChI=1S/C20H25N5O/c1-2-10-26-20-23-17-16(12-22-18(17)19(21)24-20)11-14-4-6-15(7-5-14)13-25-8-3-9-25/h4-7,12,22H,2-3,8-11,13H2,1H3,(H2,21,23,24)
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n/an/an/an/a 550n/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
The compounds were gradient diluted with DMSO in 3-fold using liquid work station POD starting at a concentration of 10 mmol/L and 10 points were dil...


US Patent US10654856 (2020)

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


(Homo sapiens (Human))
BDBM443389
PNG
(US10654856, Compound 14)
Show SMILES CCCOc1nc(N)c2[nH]cc(Cc3ccc(CN4CC(C)OC(C)C4)cc3)c2n1
PDB

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n/an/an/an/a 550n/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
The compounds were gradient diluted with DMSO in 3-fold using liquid work station POD starting at a concentration of 10 mmol/L and 10 points were dil...


US Patent US10654856 (2020)

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


(Homo sapiens (Human))
BDBM50440284
PNG
(CHEMBL2424780 | US10457681, Compound Vesatolimod |...)
Show SMILES CCCCOc1nc(N)c2NC(=O)CN(Cc3cccc(CN4CCCC4)c3)c2n1
Show InChI InChI=1S/C22H30N6O2/c1-2-3-11-30-22-25-20(23)19-21(26-22)28(15-18(29)24-19)14-17-8-6-7-16(12-17)13-27-9-4-5-10-27/h6-8,12H,2-5,9-11,13-15H2,1H3,(H,24,29)(H2,23,25,26)
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US Patent
n/an/an/an/a 517n/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
The compounds were gradient diluted with DMSO in 3-fold using liquid work station POD starting at a concentration of 10 mmol/L and 10 points were dil...


US Patent US10654856 (2020)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Toll-like receptor 7


(Homo sapiens (Human))
BDBM443387
PNG
(US10654856, Compound 12)
Show SMILES CCCOc1nc(N)c2[nH]cc(Cc3ccc(CN4CC(C4)OC)cc3)c2n1
Show InChI InChI=1S/C21H27N5O2/c1-3-8-28-21-24-18-16(10-23-19(18)20(22)25-21)9-14-4-6-15(7-5-14)11-26-12-17(13-26)27-2/h4-7,10,17,23H,3,8-9,11-13H2,1-2H3,(H2,22,24,25)
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n/an/an/an/a 550n/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
The compounds were gradient diluted with DMSO in 3-fold using liquid work station POD starting at a concentration of 10 mmol/L and 10 points were dil...


US Patent US10654856 (2020)

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


(Homo sapiens (Human))
BDBM443388
PNG
(US10654856, Compound 13)
Show SMILES CCCOc1nc(N)c2[nH]cc(Cc3ccc(CN4CCCN(C)CC4)cc3)c2n1
Show InChI InChI=1S/C23H32N6O/c1-3-13-30-23-26-20-19(15-25-21(20)22(24)27-23)14-17-5-7-18(8-6-17)16-29-10-4-9-28(2)11-12-29/h5-8,15,25H,3-4,9-14,16H2,1-2H3,(H2,24,26,27)
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n/an/an/an/a 550n/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
The compounds were gradient diluted with DMSO in 3-fold using liquid work station POD starting at a concentration of 10 mmol/L and 10 points were dil...


US Patent US10654856 (2020)

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


(Homo sapiens (Human))
BDBM443390
PNG
(US10654856, Compound 15)
Show SMILES CCCOc1nc(N)c2[nH]cc(Cc3ccc(CN4CCC(CC4)OC)cc3)c2n1
Show InChI InChI=1S/C23H31N5O2/c1-3-12-30-23-26-20-18(14-25-21(20)22(24)27-23)13-16-4-6-17(7-5-16)15-28-10-8-19(29-2)9-11-28/h4-7,14,19,25H,3,8-13,15H2,1-2H3,(H2,24,26,27)
PDB

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n/an/an/an/a 550n/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
The compounds were gradient diluted with DMSO in 3-fold using liquid work station POD starting at a concentration of 10 mmol/L and 10 points were dil...


US Patent US10654856 (2020)

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


(Homo sapiens (Human))
BDBM443375
PNG
(US10654856, Compound 1)
Show SMILES CCCOc1nc(N)c2[nH]cc(Cc3ccc(CN4CCCC4)cc3)c2n1
Show InChI InChI=1S/C21H27N5O/c1-2-11-27-21-24-18-17(13-23-19(18)20(22)25-21)12-15-5-7-16(8-6-15)14-26-9-3-4-10-26/h5-8,13,23H,2-4,9-12,14H2,1H3,(H2,22,24,25)
PDB

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n/an/an/an/a 550n/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
The compounds were gradient diluted with DMSO in 3-fold using liquid work station POD starting at a concentration of 10 mmol/L and 10 points were dil...


US Patent US10654856 (2020)

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


(Homo sapiens (Human))
BDBM443380
PNG
(US10654856, Compound 6)
Show SMILES CCCOc1nc(N)c2[nH]cc(Cc3ccc(CN4CCOCC4)cc3)c2n1
Show InChI InChI=1S/C21H27N5O2/c1-2-9-28-21-24-18-17(13-23-19(18)20(22)25-21)12-15-3-5-16(6-4-15)14-26-7-10-27-11-8-26/h3-6,13,23H,2,7-12,14H2,1H3,(H2,22,24,25)
PDB

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n/an/an/an/a 2.55E+4n/an/an/an/a



CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
The compounds were gradient diluted with DMSO in 3-fold using liquid work station POD starting at a concentration of 10 mmol/L and 10 points were dil...


US Patent US10654856 (2020)

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