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Patent code US10457678

Compile Data Set for Download or QSAR
Found 10 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
ADAM17


(Homo sapiens (Human))
BDBM419141
PNG
(US10457678, Compound 17)
Show SMILES CCOc1ccc(cc1)-c1cc2cccnc2n1C(=O)OC(C)(C)C
Show InChI InChI=1S/C20H22N2O3/c1-5-24-16-10-8-14(9-11-16)17-13-15-7-6-12-21-18(15)22(17)19(23)25-20(2,3)4/h6-13H,5H2,1-4H3
PDB
MMDB

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



Institut National de la Sante et de la Recherche Medicale (INSERM); Centre National de la Recherche Scientifique (CNRS); Sorbonne Universite; Universite Claude Bernard Lyon 1

US Patent


Assay Description
TNF-α can induce necroptosis in Jurkat cells (human T lymphocytes) when FADD was deleted. This model was used to screen various libraries of che...


US Patent US10457678 (2019)

More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM419159
PNG
(US10457678, Compound 21)
Show SMILES CCOc1ccc(cc1)-c1cc2cccn(C(=O)OCc3ccccc3)c2n1
Show InChI InChI=1S/C23H20N2O3/c1-2-27-20-12-10-18(11-13-20)21-15-19-9-6-14-25(22(19)24-21)23(26)28-16-17-7-4-3-5-8-17/h3-15H,2,16H2,1H3
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MMDB

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



Institut National de la Sante et de la Recherche Medicale (INSERM); Centre National de la Recherche Scientifique (CNRS); Sorbonne Universite; Universite Claude Bernard Lyon 1

US Patent


Assay Description
TNF-α can induce necroptosis in Jurkat cells (human T lymphocytes) when FADD was deleted. This model was used to screen various libraries of che...


US Patent US10457678 (2019)

More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM419177
PNG
(US10457678, Compound 33)
Show SMILES CCOc1ccc(cc1)-c1cc2cccnc2n1C(=O)N1CCN(C1=O)S(C)(=O)=O
Show InChI InChI=1S/C20H20N4O5S/c1-3-29-16-8-6-14(7-9-16)17-13-15-5-4-10-21-18(15)24(17)20(26)22-11-12-23(19(22)25)30(2,27)28/h4-10,13H,3,11-12H2,1-2H3
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n/an/an/an/a 1.00E+3n/an/an/an/a



Institut National de la Sante et de la Recherche Medicale (INSERM); Centre National de la Recherche Scientifique (CNRS); Sorbonne Universite; Universite Claude Bernard Lyon 1

US Patent


Assay Description
TNF-α can induce necroptosis in Jurkat cells (human T lymphocytes) when FADD was deleted. This model was used to screen various libraries of che...


US Patent US10457678 (2019)

More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM419173
PNG
(US10457678, Compound 32)
Show SMILES CCOc1ccc(cc1)-c1cc2cccnc2n1C(=O)OCC(Cl)(Cl)Cl
Show InChI InChI=1S/C18H15Cl3N2O3/c1-2-25-14-7-5-12(6-8-14)15-10-13-4-3-9-22-16(13)23(15)17(24)26-11-18(19,20)21/h3-10H,2,11H2,1H3
PDB
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n/an/an/an/a 2.50E+3n/an/an/an/a



Institut National de la Sante et de la Recherche Medicale (INSERM); Centre National de la Recherche Scientifique (CNRS); Sorbonne Universite; Universite Claude Bernard Lyon 1

US Patent


Assay Description
TNF-α can induce necroptosis in Jurkat cells (human T lymphocytes) when FADD was deleted. This model was used to screen various libraries of che...


US Patent US10457678 (2019)

More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM419140
PNG
(US10457678, Compound 10)
Show SMILES CCOc1ccc(cc1)-c1cc2cccnc2n1C(C)=O
Show InChI InChI=1S/C17H16N2O2/c1-3-21-15-8-6-13(7-9-15)16-11-14-5-4-10-18-17(14)19(16)12(2)20/h4-11H,3H2,1-2H3
PDB
MMDB

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n/an/an/an/a 1.70E+3n/an/an/an/a



Institut National de la Sante et de la Recherche Medicale (INSERM); Centre National de la Recherche Scientifique (CNRS); Sorbonne Universite; Universite Claude Bernard Lyon 1

US Patent


Assay Description
TNF-α can induce necroptosis in Jurkat cells (human T lymphocytes) when FADD was deleted. This model was used to screen various libraries of che...


US Patent US10457678 (2019)

More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM419135
PNG
(US10457678, Compound 7)
Show SMILES CCOc1ccc(cc1)-c1cc2cccn(C(=O)N(CC)CC)c2n1
Show InChI InChI=1S/C20H23N3O2/c1-4-22(5-2)20(24)23-13-7-8-16-14-18(21-19(16)23)15-9-11-17(12-10-15)25-6-3/h7-14H,4-6H2,1-3H3
PDB
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n/an/an/an/a 7.00E+3n/an/an/an/a



Institut National de la Sante et de la Recherche Medicale (INSERM); Centre National de la Recherche Scientifique (CNRS); Sorbonne Universite; Universite Claude Bernard Lyon 1

US Patent


Assay Description
TNF-α can induce necroptosis in Jurkat cells (human T lymphocytes) when FADD was deleted. This model was used to screen various libraries of che...


US Patent US10457678 (2019)

More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM419153
PNG
(US10457678, Compound 26)
Show SMILES CCOc1ccc(cc1)-c1cc2c(Cl)ccnc2n1C(=O)OC(C)(C)C
Show InChI InChI=1S/C20H21ClN2O3/c1-5-25-14-8-6-13(7-9-14)17-12-15-16(21)10-11-22-18(15)23(17)19(24)26-20(2,3)4/h6-12H,5H2,1-4H3
PDB
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n/an/an/an/a 2.40E+3n/an/an/an/a



Institut National de la Sante et de la Recherche Medicale (INSERM); Centre National de la Recherche Scientifique (CNRS); Sorbonne Universite; Universite Claude Bernard Lyon 1

US Patent


Assay Description
TNF-α can induce necroptosis in Jurkat cells (human T lymphocytes) when FADD was deleted. This model was used to screen various libraries of che...


US Patent US10457678 (2019)

More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM419182
PNG
(US10457678, Compound 35)
Show SMILES CCOc1ccc(cc1)-c1cc2cccn(C(=O)N3CCCC3)c2n1
Show InChI InChI=1S/C20H21N3O2/c1-2-25-17-9-7-15(8-10-17)18-14-16-6-5-13-23(19(16)21-18)20(24)22-11-3-4-12-22/h5-10,13-14H,2-4,11-12H2,1H3
PDB
MMDB

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n/an/an/an/a 3.50E+3n/an/an/an/a



Institut National de la Sante et de la Recherche Medicale (INSERM); Centre National de la Recherche Scientifique (CNRS); Sorbonne Universite; Universite Claude Bernard Lyon 1

US Patent


Assay Description
TNF-α can induce necroptosis in Jurkat cells (human T lymphocytes) when FADD was deleted. This model was used to screen various libraries of che...


US Patent US10457678 (2019)

More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM419183
PNG
(US10457678, Compound 36)
Show SMILES CCOc1ccc(cc1)-c1cc2cccn(C(=O)N3CCN(C)CC3)c2n1
Show InChI InChI=1S/C21H24N4O2/c1-3-27-18-8-6-16(7-9-18)19-15-17-5-4-10-25(20(17)22-19)21(26)24-13-11-23(2)12-14-24/h4-10,15H,3,11-14H2,1-2H3
PDB
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n/an/an/an/a 1.05E+3n/an/an/an/a



Institut National de la Sante et de la Recherche Medicale (INSERM); Centre National de la Recherche Scientifique (CNRS); Sorbonne Universite; Universite Claude Bernard Lyon 1

US Patent


Assay Description
TNF-α can induce necroptosis in Jurkat cells (human T lymphocytes) when FADD was deleted. This model was used to screen various libraries of che...


US Patent US10457678 (2019)

More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM419178
PNG
(US10457678, Compound 34)
Show SMILES CCOc1ccc(cc1)-c1cc2cccn(C(=O)N(C(C)C)C(C)C)c2n1
Show InChI InChI=1S/C22H27N3O2/c1-6-27-19-11-9-17(10-12-19)20-14-18-8-7-13-24(21(18)23-20)22(26)25(15(2)3)16(4)5/h7-16H,6H2,1-5H3
PDB
MMDB

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n/an/an/an/a 2.00E+3n/an/an/an/a



Institut National de la Sante et de la Recherche Medicale (INSERM); Centre National de la Recherche Scientifique (CNRS); Sorbonne Universite; Universite Claude Bernard Lyon 1

US Patent


Assay Description
TNF-α can induce necroptosis in Jurkat cells (human T lymphocytes) when FADD was deleted. This model was used to screen various libraries of che...


US Patent US10457678 (2019)

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