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Compile Data Set for Download or QSAR

Found 63 hits Enz. Inhib. hit(s) with Target = 'Lipopolysaccharide-induced tumor necrosis factor-alpha factor'   
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
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM86694
PNG
(N'-(3-Chloro-4-morpholinophenyl)-N-hydroxyform...)
Show SMILES ONC=Nc1ccc(N2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C11H14ClN3O2/c12-10-7-9(13-8-14-16)1-2-11(10)15-3-5-17-6-4-15/h1-2,7-8,16H,3-6H2,(H,13,14)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 77-85 (2005)


Article DOI: 10.1124/jpet.105.083964
BindingDB Entry DOI: 10.7270/Q2MW2FQQ
More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235368
PNG
(US10085990, Example 98 | US9393245, 98)
Show SMILES COc1cccc2c1ncc1c2n(C2CCN(CC2)C(=O)NC(C)C)c(=O)n(-c2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C27H28ClN5O4/c1-16(2)30-26(35)31-12-10-18(11-13-31)32-24-20-8-5-9-22(37-3)23(20)29-15-21(24)25(34)33(27(32)36)19-7-4-6-17(28)14-19/h4-9,14-16,18H,10-13H2,1-3H3,(H,30,35)
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n/an/a 0.300n/an/an/an/an/an/a



vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM287835
PNG
(3-[(R)-3-(3-Chloro-phenyl)-7-methoxy-2,4-dioxo-3,4...)
Show SMILES COc1cccc2c1ncc1c2n([C@@H]2CCN(C2)C(=O)OC(C)(C)C)c(=O)n(-c2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C27H27ClN4O5/c1-27(2,3)37-26(35)30-12-11-18(15-30)31-23-19-9-6-10-21(36-4)22(19)29-14-20(23)24(33)32(25(31)34)17-8-5-7-16(28)13-17/h5-10,13-14,18H,11-12,15H2,1-4H3/t18-/m1/s1
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235363
PNG
(US10085990, Example 93 | US9393245, 93)
Show SMILES COc1cccc2c1ncc1c2n(C2CCN(CC2)S(=O)(=O)C(C)C)c(=O)n(-c2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C26H27ClN4O5S/c1-16(2)37(34,35)29-12-10-18(11-13-29)30-24-20-8-5-9-22(36-3)23(20)28-15-21(24)25(32)31(26(30)33)19-7-4-6-17(27)14-19/h4-9,14-16,18H,10-13H2,1-3H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235364
PNG
(US10085990, Example 94 | US9393245, 94)
Show SMILES COc1cccc2c1ncc1c2n(C2CCN(CC2)S(=O)(=O)N(C)C)c(=O)n(-c2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C25H26ClN5O5S/c1-28(2)37(34,35)29-12-10-17(11-13-29)30-23-19-8-5-9-21(36-3)22(19)27-15-20(23)24(32)31(25(30)33)18-7-4-6-16(26)14-18/h4-9,14-15,17H,10-13H2,1-3H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235366
PNG
(US10085990, Example 96 | US9393245, 96)
Show SMILES COc1cccc2c1ncc1c2n(C2CCN(CC2)S(=O)(=O)C2CCS(=O)(=O)C2)c(=O)n(-c2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C27H27ClN4O7S2/c1-39-23-7-3-6-21-24(23)29-15-22-25(21)31(27(34)32(26(22)33)19-5-2-4-17(28)14-19)18-8-11-30(12-9-18)41(37,38)20-10-13-40(35,36)16-20/h2-7,14-15,18,20H,8-13,16H2,1H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235367
PNG
(US10085990, Example 97 | US9393245, 97)
Show SMILES CCNC(=O)N1CCC(CC1)n1c2c3cccc(OC)c3ncc2c(=O)n(-c2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C26H26ClN5O4/c1-3-28-25(34)30-12-10-17(11-13-30)31-23-19-8-5-9-21(36-2)22(19)29-15-20(23)24(33)32(26(31)35)18-7-4-6-16(27)14-18/h4-9,14-15,17H,3,10-13H2,1-2H3,(H,28,34)
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235370
PNG
(US10085990, Example 100 | US9393245, 100)
Show SMILES COc1cccc2c1ncc1c2n(C2CCC(C)CC2)c(=O)n(-c2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H24ClN3O3/c1-15-6-10-17(11-7-15)28-23-19-4-3-5-21(32-2)22(19)27-14-20(23)24(30)29(25(28)31)18-12-8-16(26)9-13-18/h3-5,8-9,12-15,17H,6-7,10-11H2,1-2H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235355
PNG
(US10085990, Example 83 | US9393245, 83)
Show SMILES CCCCn1c2c3cccc(OC)c3ncc2c(=O)n(-c2cccc(C)c2)c1=O
Show InChI InChI=1S/C23H23N3O3/c1-4-5-12-25-21-17-10-7-11-19(29-3)20(17)24-14-18(21)22(27)26(23(25)28)16-9-6-8-15(2)13-16/h6-11,13-14H,4-5,12H2,1-3H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235359
PNG
(US10085990, Example 88 | US9393245, 88)
Show SMILES COc1cccc2c1ncc1c2n(C2CCN(CC2)C(=O)OC(C)(C)C)c(=O)n(-c2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C28H29ClN4O5/c1-28(2,3)38-27(36)31-13-11-18(12-14-31)32-24-20-9-6-10-22(37-4)23(20)30-16-21(24)25(34)33(26(32)35)19-8-5-7-17(29)15-19/h5-10,15-16,18H,11-14H2,1-4H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235362
PNG
(US10085990, Example 91 | US9393245, 91)
Show SMILES COc1cccc2c1ncc1c2n(C2CCN(CC2)C(=O)c2ccccc2)c(=O)n(-c2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C30H25ClN4O4/c1-39-25-12-6-11-23-26(25)32-18-24-27(23)34(30(38)35(29(24)37)22-10-5-9-20(31)17-22)21-13-15-33(16-14-21)28(36)19-7-3-2-4-8-19/h2-12,17-18,21H,13-16H2,1H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235365
PNG
(US10085990, Example 95 | US9393245, 95)
Show SMILES COc1cccc2c1ncc1c2n(C2CCN(CC2)S(=O)(=O)c2ccccc2)c(=O)n(-c2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C29H25ClN4O5S/c1-39-25-12-6-11-23-26(25)31-18-24-27(23)33(29(36)34(28(24)35)21-8-5-7-19(30)17-21)20-13-15-32(16-14-20)40(37,38)22-9-3-2-4-10-22/h2-12,17-18,20H,13-16H2,1H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM135819
PNG
(US10085990, Example 103 | US8853226, 103 | US93932...)
Show SMILES COc1cccc2c1ncc1c2n(C2CC[C@@H](CC2)C(O)=O)c(=O)n(-c2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C25H22ClN3O5/c1-34-20-7-3-6-18-21(20)27-13-19-22(18)28(16-10-8-14(9-11-16)24(31)32)25(33)29(23(19)30)17-5-2-4-15(26)12-17/h2-7,12-14,16H,8-11H2,1H3,(H,31,32)/t14-,16?
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235350
PNG
(US10085990, Example 78 | US9393245, 78)
Show SMILES COc1cccc2c1ncc1c2n(C2CCC(C)CC2)c(=O)n(-c2cccc(C)c2)c1=O
Show InChI InChI=1S/C26H27N3O3/c1-16-10-12-18(13-11-16)28-24-20-8-5-9-22(32-3)23(20)27-15-21(24)25(30)29(26(28)31)19-7-4-6-17(2)14-19/h4-9,14-16,18H,10-13H2,1-3H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235375
PNG
(US10085990, Example 107 | US9393245, 107)
Show SMILES COc1cccc2c1ncc1c2n(C2CCN(CC2)C(=O)OC(C)(C)C)c(=O)n(-c2ccc3OCOc3c2)c1=O
Show InChI InChI=1S/C29H30N4O7/c1-29(2,3)40-28(36)31-12-10-17(11-13-31)32-25-19-6-5-7-22(37-4)24(19)30-15-20(25)26(34)33(27(32)35)18-8-9-21-23(14-18)39-16-38-21/h5-9,14-15,17H,10-13,16H2,1-4H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235358
PNG
(US10085990, Example 87 | US9393245, 87)
Show SMILES COc1cccc2c1ncc1c2n(C2CCC(F)(F)CC2)c(=O)n(-c2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C24H20ClF2N3O3/c1-33-19-7-3-6-17-20(19)28-13-18-21(17)29(15-8-10-24(26,27)11-9-15)23(32)30(22(18)31)16-5-2-4-14(25)12-16/h2-7,12-13,15H,8-11H2,1H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235390
PNG
(US10085990, Example 126 | US9393245, 126)
Show SMILES COc1cccc2c1ncc1c2n(CC2CCN(CC2)S(C)(=O)=O)c(=O)n(-c2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C25H25ClN4O5S/c1-35-21-8-4-7-19-22(21)27-14-20-23(19)29(15-16-9-11-28(12-10-16)36(2,33)34)25(32)30(24(20)31)18-6-3-5-17(26)13-18/h3-8,13-14,16H,9-12,15H2,1-2H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235383
PNG
(US10085990, Example 116 | US9393245, 116)
Show SMILES COc1cccc2c1ncc1c2n([C@H]2CCN(C2)C(=O)OC(C)(C)C)c(=O)n(-c2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C27H27ClN4O5/c1-27(2,3)37-26(35)30-12-11-18(15-30)31-23-19-9-6-10-21(36-4)22(19)29-14-20(23)24(33)32(25(31)34)17-8-5-7-16(28)13-17/h5-10,13-14,18H,11-12,15H2,1-4H3/t18-/m0/s1
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235361
PNG
(US10085990, Example 90 | US9393245, 90)
Show SMILES COc1cccc2c1ncc1c2n(C2CCN(CC2)C(C)=O)c(=O)n(-c2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C25H23ClN4O4/c1-15(31)28-11-9-17(10-12-28)29-23-19-7-4-8-21(34-2)22(19)27-14-20(23)24(32)30(25(29)33)18-6-3-5-16(26)13-18/h3-8,13-14,17H,9-12H2,1-2H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM135817
PNG
(US10085990, Example 84 | US8853226, 84 | US9393245...)
Show SMILES COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2ccc3OCOc3c2)c1=O
Show InChI InChI=1S/C24H21N3O5/c1-30-19-8-4-7-16-21(19)25-12-17-22(16)26(14-5-2-3-6-14)24(29)27(23(17)28)15-9-10-18-20(11-15)32-13-31-18/h4,7-12,14H,2-3,5-6,13H2,1H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM135818
PNG
(US10085990, Example 92 | US8853226, 92 | US9393245...)
Show SMILES COc1cccc2c1ncc1c2n(C2CCN(CC2)S(C)(=O)=O)c(=O)n(-c2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C24H23ClN4O5S/c1-34-20-8-4-7-18-21(20)26-14-19-22(18)28(16-9-11-27(12-10-16)35(2,32)33)24(31)29(23(19)30)17-6-3-5-15(25)13-17/h3-8,13-14,16H,9-12H2,1-2H3
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n/an/a 2.40n/an/an/an/an/an/a



vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235344
PNG
(US10085990, Example 72 | US9393245, 72)
Show SMILES COc1cccc2c1ncc1c2n(C2CCC(C)CC2)c(=O)n(-c2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C25H24ClN3O3/c1-15-9-11-17(12-10-15)28-23-19-7-4-8-21(32-2)22(19)27-14-20(23)24(30)29(25(28)31)18-6-3-5-16(26)13-18/h3-8,13-15,17H,9-12H2,1-2H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235374
PNG
(US10085990, Example 106 | US9393245, 106)
Show SMILES COc1cccc2c1ncc1c2n(C2CCCCC2)c(=O)n(-c2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C24H22ClN3O3/c1-31-20-12-6-11-18-21(20)26-14-19-22(18)27(16-8-3-2-4-9-16)24(30)28(23(19)29)17-10-5-7-15(25)13-17/h5-7,10-14,16H,2-4,8-9H2,1H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235360
PNG
(US10085990, Example 89 | US9393245, 89)
Show SMILES COc1cccc2c1ncc1c2n(C2CCNCC2)c(=O)n(-c2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C23H21ClN4O3/c1-31-19-7-3-6-17-20(19)26-13-18-21(17)27(15-8-10-25-11-9-15)23(30)28(22(18)29)16-5-2-4-14(24)12-16/h2-7,12-13,15,25H,8-11H2,1H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM135824
PNG
(US10085990, Example 127 | US8853226, 127 | US93932...)
Show SMILES COc1cccc2c1ncc1c2n(C2CC[C@@H](CC2)NS(C)(=O)=O)c(=O)n(-c2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C25H25ClN4O5S/c1-35-21-8-4-7-19-22(21)27-14-20-23(19)29(17-11-9-16(10-12-17)28-36(2,33)34)25(32)30(24(20)31)18-6-3-5-15(26)13-18/h3-8,13-14,16-17,28H,9-12H2,1-2H3/t16-,17?
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235347
PNG
(US10085990, Example 75 | US9393245, 75)
Show SMILES CCc1cccc(c1)-n1c(=O)n(C2CCCC2)c2c3cccc(OC)c3ncc2c1=O
Show InChI InChI=1S/C25H25N3O3/c1-3-16-8-6-11-18(14-16)28-24(29)20-15-26-22-19(12-7-13-21(22)31-2)23(20)27(25(28)30)17-9-4-5-10-17/h6-8,11-15,17H,3-5,9-10H2,1-2H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM135816
PNG
(US10085990, Example 54 | US8853226, 54 | US9393245...)
Show SMILES COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2cccc(C)c2)c1=O
Show InChI InChI=1S/C24H23N3O3/c1-15-7-5-10-17(13-15)27-23(28)19-14-25-21-18(11-6-12-20(21)30-2)22(19)26(24(27)29)16-8-3-4-9-16/h5-7,10-14,16H,3-4,8-9H2,1-2H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235377
PNG
(US10085990, Example 109 | US9393245, 109)
Show SMILES COc1cccc2c1ncc1c2n(C2CCN(CC2)S(C)(=O)=O)c(=O)n(-c2ccc3OCOc3c2)c1=O
Show InChI InChI=1S/C25H24N4O7S/c1-34-20-5-3-4-17-22(20)26-13-18-23(17)28(15-8-10-27(11-9-15)37(2,32)33)25(31)29(24(18)30)16-6-7-19-21(12-16)36-14-35-19/h3-7,12-13,15H,8-11,14H2,1-2H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235345
PNG
(US10085990, Example 73 | US9393245, 73)
Show SMILES COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C23H20ClN3O3/c1-30-19-11-5-10-17-20(19)25-13-18-21(17)26(15-7-2-3-8-15)23(29)27(22(18)28)16-9-4-6-14(24)12-16/h4-6,9-13,15H,2-3,7-8H2,1H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235369
PNG
(US10085990, Example 99 | US9393245, 99)
Show SMILES COc1cccc2c1ncc1c2n(C2CCC(C)CC2)c(=O)n(-c2ccccc2Cl)c1=O
Show InChI InChI=1S/C25H24ClN3O3/c1-15-10-12-16(13-11-15)28-23-17-6-5-9-21(32-2)22(17)27-14-18(23)24(30)29(25(28)31)20-8-4-3-7-19(20)26/h3-9,14-16H,10-13H2,1-2H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM135820
PNG
(US10085990, Example 115 | US8853226, 115 | US93932...)
Show SMILES COc1cccc2c1ncc1c2n([C@@H]2CCN(C2)S(C)(=O)=O)c(=O)n(-c2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C23H21ClN4O5S/c1-33-19-8-4-7-17-20(19)25-12-18-21(17)27(16-9-10-26(13-16)34(2,31)32)23(30)28(22(18)29)15-6-3-5-14(24)11-15/h3-8,11-12,16H,9-10,13H2,1-2H3/t16-/m1/s1
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM135821
PNG
(US10085990, Example 118 | US8853226, 118 | US93932...)
Show SMILES COc1cccc2c1ncc1c2n([C@H]2CCN(C2)S(C)(=O)=O)c(=O)n(-c2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C23H21ClN4O5S/c1-33-19-8-4-7-17-20(19)25-12-18-21(17)27(16-9-10-26(13-16)34(2,31)32)23(30)28(22(18)29)15-6-3-5-14(24)11-15/h3-8,11-12,16H,9-10,13H2,1-2H3/t16-/m0/s1
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM135815
PNG
(US10085990, Example 51 | US8853226, 51 | US9393245...)
Show SMILES COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2cc(C)cs2)c1=O
Show InChI InChI=1S/C22H21N3O3S/c1-13-10-18(29-12-13)25-21(26)16-11-23-19-15(8-5-9-17(19)28-2)20(16)24(22(25)27)14-6-3-4-7-14/h5,8-12,14H,3-4,6-7H2,1-2H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235382
PNG
(US10085990, Example 114 | US9393245, 114)
Show SMILES COc1cccc2c1ncc1c2n([C@@H]2CCNC2)c(=O)n(-c2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C22H19ClN4O3/c1-30-18-7-3-6-16-19(18)25-12-17-20(16)26(15-8-9-24-11-15)22(29)27(21(17)28)14-5-2-4-13(23)10-14/h2-7,10,12,15,24H,8-9,11H2,1H3/t15-/m1/s1
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235379
PNG
(US10085990, Example 111 | US9393245, 111)
Show SMILES COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2cccc(SC)c2)c1=O
Show InChI InChI=1S/C24H23N3O3S/c1-30-20-12-6-11-18-21(20)25-14-19-22(18)26(15-7-3-4-8-15)24(29)27(23(19)28)16-9-5-10-17(13-16)31-2/h5-6,9-15H,3-4,7-8H2,1-2H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235378
PNG
(US10085990, Example 110 | US9393245, 110)
Show SMILES COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2cccc(c2)C#N)c1=O
Show InChI InChI=1S/C24H20N4O3/c1-31-20-11-5-10-18-21(20)26-14-19-22(18)27(16-7-2-3-8-16)24(30)28(23(19)29)17-9-4-6-15(12-17)13-25/h4-6,9-12,14,16H,2-3,7-8H2,1H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235327
PNG
(US10085990, Example 55 | US9393245, 55)
Show SMILES COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2ccc(C)cc2)c1=O
Show InChI InChI=1S/C24H23N3O3/c1-15-10-12-17(13-11-15)27-23(28)19-14-25-21-18(8-5-9-20(21)30-2)22(19)26(24(27)29)16-6-3-4-7-16/h5,8-14,16H,3-4,6-7H2,1-2H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235278
PNG
(US10085990, Example 1 | US9393245, 1)
Show SMILES CCn1c(=O)n(C2CCCC2)c2c3cccc(OC)c3ncc2c1=O
Show InChI InChI=1S/C19H21N3O3/c1-3-21-18(23)14-11-20-16-13(9-6-10-15(16)25-2)17(14)22(19(21)24)12-7-4-5-8-12/h6,9-12H,3-5,7-8H2,1-2H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235319
PNG
(US10085990, Example 45 | US9393245, 45)
Show SMILES CCn1c(=O)n(C2CCC(C)CC2)c2c3cccc(OC)c3ncc2c1=O
Show InChI InChI=1S/C21H25N3O3/c1-4-23-20(25)16-12-22-18-15(6-5-7-17(18)27-3)19(16)24(21(23)26)14-10-8-13(2)9-11-14/h5-7,12-14H,4,8-11H2,1-3H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235386
PNG
(US10085990, Example 120 | US9393245, 120)
Show SMILES COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2ccc3OCCOc3c2)c1=O
Show InChI InChI=1S/C25H23N3O5/c1-31-20-8-4-7-17-22(20)26-14-18-23(17)27(15-5-2-3-6-15)25(30)28(24(18)29)16-9-10-19-21(13-16)33-12-11-32-19/h4,7-10,13-15H,2-3,5-6,11-12H2,1H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235282
PNG
(US10085990, Example 5 | US9393245, 5)
Show SMILES COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(C(C)C)c1=O
Show InChI InChI=1S/C20H23N3O3/c1-12(2)22-19(24)15-11-21-17-14(9-6-10-16(17)26-3)18(15)23(20(22)25)13-7-4-5-8-13/h6,9-13H,4-5,7-8H2,1-3H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235380
PNG
(US10085990, Example 112 | US9393245, 112)
Show SMILES COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2cccc(c2)S(C)(=O)=O)c1=O
Show InChI InChI=1S/C24H23N3O5S/c1-32-20-12-6-11-18-21(20)25-14-19-22(18)26(15-7-3-4-8-15)24(29)27(23(19)28)16-9-5-10-17(13-16)33(2,30)31/h5-6,9-15H,3-4,7-8H2,1-2H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235294
PNG
(US10085990, Example 17 | US9393245, 17)
Show SMILES CCCCn1c2c3cccc(OC)c3ncc2c(=O)n(CC)c1=O
Show InChI InChI=1S/C18H21N3O3/c1-4-6-10-21-16-12-8-7-9-14(24-3)15(12)19-11-13(16)17(22)20(5-2)18(21)23/h7-9,11H,4-6,10H2,1-3H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235287
PNG
(US10085990, Example 10 | US9393245, 10)
Show SMILES COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2cccs2)c1=O
Show InChI InChI=1S/C21H19N3O3S/c1-27-16-9-4-8-14-18(16)22-12-15-19(14)23(13-6-2-3-7-13)21(26)24(20(15)25)17-10-5-11-28-17/h4-5,8-13H,2-3,6-7H2,1H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235312
PNG
(US10085990, Example 38 | US9393245, 38)
Show SMILES CCC(C)n1c(=O)n(C2CCCC2)c2c3cccc(OC)c3ncc2c1=O
Show InChI InChI=1S/C21H25N3O3/c1-4-13(2)23-20(25)16-12-22-18-15(10-7-11-17(18)27-3)19(16)24(21(23)26)14-8-5-6-9-14/h7,10-14H,4-6,8-9H2,1-3H3
UniProtKB/SwissProt

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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235376
PNG
(US10085990, Example 108 | US9393245, 108)
Show SMILES COc1cccc2c1ncc1c2n(C2CCNCC2)c(=O)n(-c2ccc3OCOc3c2)c1=O
Show InChI InChI=1S/C24H22N4O5/c1-31-19-4-2-3-16-21(19)26-12-17-22(16)27(14-7-9-25-10-8-14)24(30)28(23(17)29)15-5-6-18-20(11-15)33-13-32-18/h2-6,11-12,14,25H,7-10,13H2,1H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235315
PNG
(US10085990, Example 41 | US9393245, 41)
Show SMILES CCn1c(=O)n(C2CCCC2)c2c3cccc(C)c3ncc2c1=O
Show InChI InChI=1S/C19H21N3O2/c1-3-21-18(23)15-11-20-16-12(2)7-6-10-14(16)17(15)22(19(21)24)13-8-4-5-9-13/h6-7,10-11,13H,3-5,8-9H2,1-2H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235293
PNG
(US10085990, Example 16 | US9393245, 16)
Show SMILES CCCn1c2c3cccc(OC)c3ncc2c(=O)n(CC)c1=O
Show InChI InChI=1S/C17H19N3O3/c1-4-9-20-15-11-7-6-8-13(23-3)14(11)18-10-12(15)16(21)19(5-2)17(20)22/h6-8,10H,4-5,9H2,1-3H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235321
PNG
(US10085990, Example 47 | US9393245, 47)
Show SMILES CCn1c(=O)n(CCCF)c2c3cccc(OC)c3ncc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c1-3-20-16(22)12-10-19-14-11(6-4-7-13(14)24-2)15(12)21(17(20)23)9-5-8-18/h4,6-7,10H,3,5,8-9H2,1-2H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(HUMAN)
BDBM235306
PNG
(US10085990, Example 29 | US9393245, 29)
Show SMILES CCn1c(=O)n(C2CCCC2)c2c3cc(F)cc(OC)c3ncc2c1=O
Show InChI InChI=1S/C19H20FN3O3/c1-3-22-18(24)14-10-21-16-13(8-11(20)9-15(16)26-2)17(14)23(19(22)25)12-6-4-5-7-12/h8-10,12H,3-7H2,1-2H3
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vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)

More data for this
Ligand-Target Pair
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