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Patent code US10208064

Compile Data Set for Download or QSAR
Found 36 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
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350315
PNG
(US10208064, Example 30)
Show SMILES CC1=C(COC1=O)N1CCC2(CCN(CCc3ccc-4c(Cn5nnnc-45)c3)CC2)C1=O
Show InChI InChI=1S/C23H26N6O3/c1-15-19(14-32-21(15)30)28-11-7-23(22(28)31)5-9-27(10-6-23)8-4-16-2-3-18-17(12-16)13-29-20(18)24-25-26-29/h2-3,12H,4-11,13-14H2,1H3
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WuXi AppTec (Shanghai) Co Ltd

US Patent


Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350299
PNG
(US10208064, Example 18)
Show SMILES C[C@@H]1CC2(CCN(C[C@@H](O)c3ccc4c(ccc5nnnn45)c3)CC2)C(=O)N1C1=CC(=O)OC1
Show InChI InChI=1S/C24H26N6O4/c1-15-12-24(23(33)29(15)18-11-22(32)34-14-18)6-8-28(9-7-24)13-20(31)17-2-4-19-16(10-17)3-5-21-25-26-27-30(19)21/h2-5,10-11,15,20,31H,6-9,12-14H2,1H3/t15-,20-/m1/s1
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WuXi AppTec (Shanghai) Co Ltd

US Patent


Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350282
PNG
(US10208064, Example 2)
Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@@H](O)c3ccc-4c(Cn5nnnc-45)c3Cl)CC2)C1=O
Show InChI InChI=1S/C23H25ClN6O4/c1-13-17(12-34-21(13)32)29-9-6-23(22(29)33)4-7-28(8-5-23)11-18(31)15-3-2-14-16(19(15)24)10-30-20(14)25-26-27-30/h2-3,18,31H,4-12H2,1H3/t18-/m1/s1
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WuXi AppTec (Shanghai) Co Ltd

US Patent


Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350300
PNG
(US10208064, Example 19)
Show SMILES C[C@H]1CC2(CCN(C[C@@H](O)c3ccc4c(ccc5nnnn45)c3)CC2)C(=O)N1C1=CC(=O)OC1
Show InChI InChI=1S/C24H26N6O4/c1-15-12-24(23(33)29(15)18-11-22(32)34-14-18)6-8-28(9-7-24)13-20(31)17-2-4-19-16(10-17)3-5-21-25-26-27-30(19)21/h2-5,10-11,15,20,31H,6-9,12-14H2,1H3/t15-,20+/m0/s1
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WuXi AppTec (Shanghai) Co Ltd

US Patent


Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350301
PNG
(US10208064, Example 20)
Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4c(ccc5nnnn45)c3)CC2)C1=O
Show InChI InChI=1S/C24H26N6O4/c1-15-19(14-34-22(15)32)29-11-8-24(23(29)33)6-9-28(10-7-24)13-20(31)17-2-4-18-16(12-17)3-5-21-25-26-27-30(18)21/h2-5,12,20,31H,6-11,13-14H2,1H3/t20-/m0/s1
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WuXi AppTec (Shanghai) Co Ltd

US Patent


Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350289
PNG
(US10208064, Example 8)
Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc-4c(Cn5nnnc-45)c3)CC2)C1=O
Show InChI InChI=1S/C23H26N6O4/c1-14-18(13-33-21(14)31)28-9-6-23(22(28)32)4-7-27(8-5-23)12-19(30)15-2-3-17-16(10-15)11-29-20(17)24-25-26-29/h2-3,10,19,30H,4-9,11-13H2,1H3/t19-/m0/s1
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WuXi AppTec (Shanghai) Co Ltd

US Patent


Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350296
PNG
(US10208064, Example 15)
Show SMILES C[C@H]1CC2(CCN(C[C@@H](O)c3ccc-4c(CCc5nnnn-45)c3)CC2)C(=O)N1C1=CC(=O)OC1
Show InChI InChI=1S/C24H28N6O4/c1-15-12-24(23(33)29(15)18-11-22(32)34-14-18)6-8-28(9-7-24)13-20(31)17-2-4-19-16(10-17)3-5-21-25-26-27-30(19)21/h2,4,10-11,15,20,31H,3,5-9,12-14H2,1H3/t15-,20+/m0/s1
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WuXi AppTec (Shanghai) Co Ltd

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Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350305
PNG
(US10208064, Example 24)
Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@@H](O)c3ccc-4c(Cn5nnnc-45)c3C)CC2)C1=O
Show InChI InChI=1S/C24H28N6O4/c1-14-16(3-4-17-18(14)11-30-21(17)25-26-27-30)20(31)12-28-8-5-24(6-9-28)7-10-29(23(24)33)19-13-34-22(32)15(19)2/h3-4,20,31H,5-13H2,1-2H3/t20-/m1/s1
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WuXi AppTec (Shanghai) Co Ltd

US Patent


Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350304
PNG
(US10208064, Example 23)
Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc-4c(Cn5nnnc-45)c3C)CC2)C1=O
Show InChI InChI=1S/C24H28N6O4/c1-14-16(3-4-17-18(14)11-30-21(17)25-26-27-30)20(31)12-28-8-5-24(6-9-28)7-10-29(23(24)33)19-13-34-22(32)15(19)2/h3-4,20,31H,5-13H2,1-2H3/t20-/m0/s1
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WuXi AppTec (Shanghai) Co Ltd

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Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350312
PNG
(8-(2-hydroxy-1-(tetrazolo[1,5-a]quinolin-7-yl)ethy...)
Show SMILES CC1=C(COC1=O)N1CCC2(CCN(CC2)C(CO)c2ccc3c(ccc4nnnn34)c2)C1=O
Show InChI InChI=1S/C24H26N6O4/c1-15-20(14-34-22(15)32)29-11-8-24(23(29)33)6-9-28(10-7-24)19(13-31)17-2-4-18-16(12-17)3-5-21-25-26-27-30(18)21/h2-5,12,19,31H,6-11,13-14H2,1H3
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WuXi AppTec (Shanghai) Co Ltd

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Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350290
PNG
(US10208064, Example 9)
Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@@H](O)c3ccc-4c(Cn5nnnc-45)c3)CC2)C1=O
Show InChI InChI=1S/C23H26N6O4/c1-14-18(13-33-21(14)31)28-9-6-23(22(28)32)4-7-27(8-5-23)12-19(30)15-2-3-17-16(10-15)11-29-20(17)24-25-26-29/h2-3,10,19,30H,4-9,11-13H2,1H3/t19-/m1/s1
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WuXi AppTec (Shanghai) Co Ltd

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Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350302
PNG
(US10208064, Example 21)
Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@@H](O)c3ccc4c(ccc5nnnn45)c3)CC2)C1=O
Show InChI InChI=1S/C24H26N6O4/c1-15-19(14-34-22(15)32)29-11-8-24(23(29)33)6-9-28(10-7-24)13-20(31)17-2-4-18-16(12-17)3-5-21-25-26-27-30(18)21/h2-5,12,20,31H,6-11,13-14H2,1H3/t20-/m1/s1
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WuXi AppTec (Shanghai) Co Ltd

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Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350298
PNG
(US10208064, Example 17)
Show SMILES C[C@H]1CC2(CCN(C[C@H](O)c3ccc4c(ccc5nnnn45)c3)CC2)C(=O)N1C1=CC(=O)OC1
Show InChI InChI=1S/C24H26N6O4/c1-15-12-24(23(33)29(15)18-11-22(32)34-14-18)6-8-28(9-7-24)13-20(31)17-2-4-19-16(10-17)3-5-21-25-26-27-30(19)21/h2-5,10-11,15,20,31H,6-9,12-14H2,1H3/t15-,20-/m0/s1
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Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350294
PNG
(US10208064, Example 13)
Show SMILES C[C@H]1CC2(CCN(C[C@H](O)c3ccc-4c(CCc5nnnn-45)c3)CC2)C(=O)N1C1=CC(=O)OC1
Show InChI InChI=1S/C24H28N6O4/c1-15-12-24(23(33)29(15)18-11-22(32)34-14-18)6-8-28(9-7-24)13-20(31)17-2-4-19-16(10-17)3-5-21-25-26-27-30(19)21/h2,4,10-11,15,20,31H,3,5-9,12-14H2,1H3/t15-,20-/m0/s1
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Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350309
PNG
(8-(2-hydroxy-2-((R)-5-methyl-5H-tetrazolo[5,1-^...)
Show SMILES C[C@@H]1c2cc(ccc2-c2nnnn12)C(O)CN1CCC2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1
Show InChI InChI=1S/C24H28N6O4/c1-14-19(13-34-22(14)32)29-10-7-24(23(29)33)5-8-28(9-6-24)12-20(31)16-3-4-17-18(11-16)15(2)30-21(17)25-26-27-30/h3-4,11,15,20,31H,5-10,12-13H2,1-2H3/t15-,20?/m1/s1
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Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350311
PNG
(8-((S)-2-hydroxy-2-((R)-5-methyl-5H-tetrazolo[5,1-...)
Show SMILES C[C@@H]1c2cc(ccc2-c2nnnn12)[C@H](O)CN1CCC2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1
Show InChI InChI=1S/C24H28N6O4/c1-14-19(13-34-22(14)32)29-10-7-24(23(29)33)5-8-28(9-6-24)12-20(31)16-3-4-17-18(11-16)15(2)30-21(17)25-26-27-30/h3-4,11,15,20,31H,5-10,12-13H2,1-2H3/t15-,20-/m1/s1
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Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350281
PNG
(US10208064, Example 1)
Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc-4c(Cn5nnnc-45)c3Cl)CC2)C1=O
Show InChI InChI=1S/C23H25ClN6O4/c1-13-17(12-34-21(13)32)29-9-6-23(22(29)33)4-7-28(8-5-23)11-18(31)15-3-2-14-16(19(15)24)10-30-20(14)25-26-27-30/h2-3,18,31H,4-12H2,1H3/t18-/m0/s1
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Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350297
PNG
(US10208064, Example 16)
Show SMILES C[C@@H]1CC2(CCN(C[C@H](O)c3ccc4c(ccc5nnnn45)c3)CC2)C(=O)N1C1=CC(=O)OC1
Show InChI InChI=1S/C24H26N6O4/c1-15-12-24(23(33)29(15)18-11-22(32)34-14-18)6-8-28(9-7-24)13-20(31)17-2-4-19-16(10-17)3-5-21-25-26-27-30(19)21/h2-5,10-11,15,20,31H,6-9,12-14H2,1H3/t15-,20+/m1/s1
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WuXi AppTec (Shanghai) Co Ltd

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Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350287
PNG
((R)-8-(2-(4,5-dihydrotetrazolo[1,5-a]quinolin-7-yl...)
Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc-4c(CCc5nnnn-45)c3)CC2)C1=O
Show InChI InChI=1S/C24H28N6O4/c1-15-19(14-34-22(15)32)29-11-8-24(23(29)33)6-9-28(10-7-24)13-20(31)17-2-4-18-16(12-17)3-5-21-25-26-27-30(18)21/h2,4,12,20,31H,3,5-11,13-14H2,1H3/t20-/m0/s1
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Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350283
PNG
(US10208064, Example 3)
Show SMILES CC1=C(COC1=O)N1CC[C@@]2(CCN(C[C@H](O)c3ccc-4c(Cn5nnnc-45)c3)C[C@@H]2F)C1=O
Show InChI InChI=1S/C23H25FN6O4/c1-13-17(12-34-21(13)32)29-7-5-23(22(29)33)4-6-28(11-19(23)24)10-18(31)14-2-3-16-15(8-14)9-30-20(16)25-26-27-30/h2-3,8,18-19,31H,4-7,9-12H2,1H3/t18-,19-,23+/m0/s1
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WuXi AppTec (Shanghai) Co Ltd

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Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350310
PNG
(8-((R)-2-hydroxy-2-((R)-5-methyl-5H-tetrazolo[5,1-...)
Show SMILES C[C@@H]1c2cc(ccc2-c2nnnn12)[C@@H](O)CN1CCC2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1
Show InChI InChI=1S/C24H28N6O4/c1-14-19(13-34-22(14)32)29-10-7-24(23(29)33)5-8-28(9-6-24)12-20(31)16-3-4-17-18(11-16)15(2)30-21(17)25-26-27-30/h3-4,11,15,20,31H,5-10,12-13H2,1-2H3/t15-,20+/m1/s1
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n/an/a 36n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co Ltd

US Patent


Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350288
PNG
((S)-8-(2-(4,5-dihydrotetrazolo[1,5-a]quinolin-7-yl...)
Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@@H](O)c3ccc-4c(CCc5nnnn-45)c3)CC2)C1=O
Show InChI InChI=1S/C24H28N6O4/c1-15-19(14-34-22(15)32)29-11-8-24(23(29)33)6-9-28(10-7-24)13-20(31)17-2-4-18-16(12-17)3-5-21-25-26-27-30(18)21/h2,4,12,20,31H,3,5-11,13-14H2,1H3/t20-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co Ltd

US Patent


Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350286
PNG
(US10208064, Example 6)
Show SMILES CC1=C(COC1=O)N1CC[C@]2(CCN(C[C@@H](O)c3ccc-4c(Cn5nnnc-45)c3)C[C@H]2F)C1=O
Show InChI InChI=1S/C23H25FN6O4/c1-13-17(12-34-21(13)32)29-7-5-23(22(29)33)4-6-28(11-19(23)24)10-18(31)14-2-3-16-15(8-14)9-30-20(16)25-26-27-30/h2-3,8,18-19,31H,4-7,9-12H2,1H3/t18-,19-,23+/m1/s1
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n/an/a 40n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co Ltd

US Patent


Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350284
PNG
(US10208064, Example 4)
Show SMILES CC1=C(COC1=O)N1CC[C@]2(CCN(C[C@H](O)c3ccc-4c(Cn5nnnc-45)c3)C[C@H]2F)C1=O
Show InChI InChI=1S/C23H25FN6O4/c1-13-17(12-34-21(13)32)29-7-5-23(22(29)33)4-6-28(11-19(23)24)10-18(31)14-2-3-16-15(8-14)9-30-20(16)25-26-27-30/h2-3,8,18-19,31H,4-7,9-12H2,1H3/t18-,19+,23-/m0/s1
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n/an/a 43n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co Ltd

US Patent


Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350313
PNG
((S)-8-(2-hydroxy-1-(tetrazolo[1,5-a]quinolin-7-yl)...)
Show SMILES CC1=C(COC1=O)N1CCC2(CCN(CC2)[C@H](CO)c2ccc3c(ccc4nnnn34)c2)C1=O
Show InChI InChI=1S/C24H26N6O4/c1-15-20(14-34-22(15)32)29-11-8-24(23(29)33)6-9-28(10-7-24)19(13-31)17-2-4-18-16(12-17)3-5-21-25-26-27-30(18)21/h2-5,12,19,31H,6-11,13-14H2,1H3/t19-/m1/s1
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WuXi AppTec (Shanghai) Co Ltd

US Patent


Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350291
PNG
(US10208064, Example 10)
Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc-4c(CCc5nnnn-45)c3C)CC2)C1=O
Show InChI InChI=1S/C25H30N6O4/c1-15-17-4-6-22-26-27-28-31(22)19(17)5-3-18(15)21(32)13-29-10-7-25(8-11-29)9-12-30(24(25)34)20-14-35-23(33)16(20)2/h3,5,21,32H,4,6-14H2,1-2H3/t21-/m0/s1
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n/an/a 46n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co Ltd

US Patent


Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350292
PNG
(US10208064, Example 11)
Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@@H](O)c3ccc-4c(CCc5nnnn-45)c3C)CC2)C1=O
Show InChI InChI=1S/C25H30N6O4/c1-15-17-4-6-22-26-27-28-31(22)19(17)5-3-18(15)21(32)13-29-10-7-25(8-11-29)9-12-30(24(25)34)20-14-35-23(33)16(20)2/h3,5,21,32H,4,6-14H2,1-2H3/t21-/m1/s1
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WuXi AppTec (Shanghai) Co Ltd

US Patent


Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350307
PNG
(US10208064, Example 26)
Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@@H](O)c3cc4Cn5nnnc5-c4cc3C3CC3)CC2)C1=O
Show InChI InChI=1S/C26H30N6O4/c1-15-21(14-36-24(15)34)31-9-6-26(25(31)35)4-7-30(8-5-26)13-22(33)20-10-17-12-32-23(27-28-29-32)19(17)11-18(20)16-2-3-16/h10-11,16,22,33H,2-9,12-14H2,1H3/t22-/m1/s1
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WuXi AppTec (Shanghai) Co Ltd

US Patent


Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350308
PNG
(8-(2-hydroxy-2-((S)-5-methyl-5H-tetrazolo[5,1-^...)
Show SMILES C[C@H]1c2cc(ccc2-c2nnnn12)C(O)CN1CCC2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1
Show InChI InChI=1S/C24H28N6O4/c1-14-19(13-34-22(14)32)29-10-7-24(23(29)33)5-8-28(9-6-24)12-20(31)16-3-4-17-18(11-16)15(2)30-21(17)25-26-27-30/h3-4,11,15,20,31H,5-10,12-13H2,1-2H3/t15-,20?/m0/s1
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n/an/a 87n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co Ltd

US Patent


Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350285
PNG
(US10208064, Example 5)
Show SMILES CC1=C(COC1=O)N1CC[C@@]2(CCN(C[C@@H](O)c3ccc-4c(Cn5nnnc-45)c3)C[C@@H]2F)C1=O
Show InChI InChI=1S/C23H25FN6O4/c1-13-17(12-34-21(13)32)29-7-5-23(22(29)33)4-6-28(11-19(23)24)10-18(31)14-2-3-16-15(8-14)9-30-20(16)25-26-27-30/h2-3,8,18-19,31H,4-7,9-12H2,1H3/t18-,19+,23-/m1/s1
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WuXi AppTec (Shanghai) Co Ltd

US Patent


Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350306
PNG
(US10208064, Example 25)
Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3cc4Cn5nnnc5-c4cc3C3CC3)CC2)C1=O
Show InChI InChI=1S/C26H30N6O4/c1-15-21(14-36-24(15)34)31-9-6-26(25(31)35)4-7-30(8-5-26)13-22(33)20-10-17-12-32-23(27-28-29-32)19(17)11-18(20)16-2-3-16/h10-11,16,22,33H,2-9,12-14H2,1H3/t22-/m0/s1
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WuXi AppTec (Shanghai) Co Ltd

US Patent


Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350303
PNG
(US10208064, Example 22)
Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@@H](O)c3ccc4c(ccc5nnnn45)n3)CC2)C1=O
Show InChI InChI=1S/C23H25N7O4/c1-14-18(13-34-21(14)32)29-11-8-23(22(29)33)6-9-28(10-7-23)12-19(31)16-2-4-17-15(24-16)3-5-20-25-26-27-30(17)20/h2-5,19,31H,6-13H2,1H3/t19-/m1/s1
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WuXi AppTec (Shanghai) Co Ltd

US Patent


Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350293
PNG
(US10208064, Example 12)
Show SMILES C[C@@H]1CC2(CCN(C[C@H](O)c3ccc-4c(CCc5nnnn-45)c3)CC2)C(=O)N1C1=CC(=O)OC1
Show InChI InChI=1S/C24H28N6O4/c1-15-12-24(23(33)29(15)18-11-22(32)34-14-18)6-8-28(9-7-24)13-20(31)17-2-4-19-16(10-17)3-5-21-25-26-27-30(19)21/h2,4,10-11,15,20,31H,3,5-9,12-14H2,1H3/t15-,20+/m1/s1
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WuXi AppTec (Shanghai) Co Ltd

US Patent


Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350316
PNG
(US10208064, Example 31)
Show SMILES CO[C@@H](CN1CCC2(CCN(C3=C(C)C(=O)OC3)C2=O)CC1)c1ccc-2c(Cn3nnnc-23)c1
Show InChI InChI=1S/C24H28N6O4/c1-15-19(14-34-22(15)31)29-10-7-24(23(29)32)5-8-28(9-6-24)13-20(33-2)16-3-4-18-17(11-16)12-30-21(18)25-26-27-30/h3-4,11,20H,5-10,12-14H2,1-2H3/t20-/m0/s1
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WuXi AppTec (Shanghai) Co Ltd

US Patent


Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350295
PNG
(US10208064, Example 14)
Show SMILES C[C@@H]1CC2(CCN(C[C@@H](O)c3ccc-4c(CCc5nnnn-45)c3)CC2)C(=O)N1C1=CC(=O)OC1
Show InChI InChI=1S/C24H28N6O4/c1-15-12-24(23(33)29(15)18-11-22(32)34-14-18)6-8-28(9-7-24)13-20(31)17-2-4-19-16(10-17)3-5-21-25-26-27-30(19)21/h2,4,10-11,15,20,31H,3,5-9,12-14H2,1H3/t15-,20-/m1/s1
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WuXi AppTec (Shanghai) Co Ltd

US Patent


Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM350314
PNG
(US10208064, Example 29)
Show SMILES CC1=C(COC1=O)N1CCC2(CCN(CC2)C(CO)c2ccc-3c(CCc4nnnn-34)c2)C1=O
Show InChI InChI=1S/C24H28N6O4/c1-15-20(14-34-22(15)32)29-11-8-24(23(29)33)6-9-28(10-7-24)19(13-31)17-2-4-18-16(12-17)3-5-21-25-26-27-30(18)21/h2,4,12,19,31H,3,5-11,13-14H2,1H3
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n/an/a 421n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co Ltd

US Patent


Assay Description
A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application ...


US Patent US10208064 (2019)

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