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Patent code US10550117

Compile Data Set for Download or QSAR
Found 11 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
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM312808
PNG
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES COc1ccn2c(nc(-c3cccc(c3)C#C[C@]3(O)CCN(C)C3=O)c2c1)C(N)=O
Show InChI InChI=1S/C22H20N4O4/c1-25-11-9-22(29,21(25)28)8-6-14-4-3-5-15(12-14)18-17-13-16(30-2)7-10-26(17)20(24-18)19(23)27/h3-5,7,10,12-13,29H,9,11H2,1-2H3,(H2,23,27)/t22-/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The ability of the nuclear factor-kappa B (NF-kB)-inducing kinase (NIK) to catalyze the hydrolysis of adenosine-5′-triphosphate (ATP) was monit...


US Patent US10550117 (2020)


BindingDB Entry DOI: 10.7270/Q2959KZ4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM431888
PNG
(1-(3-(((1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2- azab...)
Show SMILES COc1ccn2c(nc(-c3cccc(c3)C#C[C@]3(O)[C@H]4C[C@H]4N(C)C3=O)c2c1)C(N)=O
Show InChI InChI=1S/C23H20N4O4/c1-26-17-12-16(17)23(30,22(26)29)8-6-13-4-3-5-14(10-13)19-18-11-15(31-2)7-9-27(18)21(25-19)20(24)28/h3-5,7,9-11,16-17,30H,12H2,1-2H3,(H2,24,28)/t16-,17+,23-/m0/s1
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Genentech, Inc.

US Patent


Assay Description
The ability of the nuclear factor-kappa B (NF-kB)-inducing kinase (NIK) to catalyze the hydrolysis of adenosine-5′-triphosphate (ATP) was monit...


US Patent US10550117 (2020)


BindingDB Entry DOI: 10.7270/Q2959KZ4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM431887
PNG
(3-(3-(((1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2- azab...)
Show SMILES CN1[C@@H]2C[C@@H]2[C@@](O)(C#Cc2cccc(c2)-c2nc(C(N)=O)n3ccccc23)C1=O
Show InChI InChI=1S/C22H18N4O3/c1-25-17-12-15(17)22(29,21(25)28)9-8-13-5-4-6-14(11-13)18-16-7-2-3-10-26(16)20(24-18)19(23)27/h2-7,10-11,15,17,29H,12H2,1H3,(H2,23,27)/t15-,17+,22-/m0/s1
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Genentech, Inc.

US Patent


Assay Description
The ability of the nuclear factor-kappa B (NF-kB)-inducing kinase (NIK) to catalyze the hydrolysis of adenosine-5′-triphosphate (ATP) was monit...


US Patent US10550117 (2020)


BindingDB Entry DOI: 10.7270/Q2959KZ4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM431890
PNG
(5-amino-2-(3-(((1R,4R,5S)-4-hydroxy-2-methyl-3- ox...)
Show SMILES CN1[C@@H]2C[C@@H]2[C@@](O)(C#Cc2cccc(c2)-c2nc(C(N)=O)c(N)s2)C1=O
Show InChI InChI=1S/C18H16N4O3S/c1-22-12-8-11(12)18(25,17(22)24)6-5-9-3-2-4-10(7-9)16-21-13(14(19)23)15(20)26-16/h2-4,7,11-12,25H,8,20H2,1H3,(H2,19,23)/t11-,12+,18-/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The ability of the nuclear factor-kappa B (NF-kB)-inducing kinase (NIK) to catalyze the hydrolysis of adenosine-5′-triphosphate (ATP) was monit...


US Patent US10550117 (2020)


BindingDB Entry DOI: 10.7270/Q2959KZ4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM312788
PNG
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-c2nc(C(N)=O)n3ccccc23)C1=O
Show InChI InChI=1S/C21H18N4O3/c1-24-12-10-21(28,20(24)27)9-8-14-5-4-6-15(13-14)17-16-7-2-3-11-25(16)19(23-17)18(22)26/h2-7,11,13,28H,10,12H2,1H3,(H2,22,26)/t21-/m0/s1
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0.0950n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The ability of the nuclear factor-kappa B (NF-kB)-inducing kinase (NIK) to catalyze the hydrolysis of adenosine-5′-triphosphate (ATP) was monit...


US Patent US10550117 (2020)


BindingDB Entry DOI: 10.7270/Q2959KZ4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM312905
PNG
(5-amino-2-[3-[2-[(3R)-3-hy- droxy-1-methyl-2-oxo-p...)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-c2nc(C(N)=O)c(N)s2)C1=O
Show InChI InChI=1S/C17H16N4O3S/c1-21-8-7-17(24,16(21)23)6-5-10-3-2-4-11(9-10)15-20-12(13(18)22)14(19)25-15/h2-4,9,24H,7-8,19H2,1H3,(H2,18,22)/t17-/m0/s1
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0.130n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The ability of the nuclear factor-kappa B (NF-kB)-inducing kinase (NIK) to catalyze the hydrolysis of adenosine-5′-triphosphate (ATP) was monit...


US Patent US10550117 (2020)


BindingDB Entry DOI: 10.7270/Q2959KZ4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM312764
PNG
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-n2nc(C(N)=O)c3cccnc23)C1=O
Show InChI InChI=1S/C20H17N5O3/c1-24-11-9-20(28,19(24)27)8-7-13-4-2-5-14(12-13)25-18-15(6-3-10-22-18)16(23-25)17(21)26/h2-6,10,12,28H,9,11H2,1H3,(H2,21,26)/t20-/m0/s1
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0.170n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The ability of the nuclear factor-kappa B (NF-kB)-inducing kinase (NIK) to catalyze the hydrolysis of adenosine-5′-triphosphate (ATP) was monit...


US Patent US10550117 (2020)


BindingDB Entry DOI: 10.7270/Q2959KZ4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM431871
PNG
(1-(3-(((1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2- azab...)
Show SMILES CN1[C@@H]2C[C@@H]2[C@@](O)(C#Cc2cccc(c2)-n2nc(C(N)=O)c3cccnc23)C1=O
Show InChI InChI=1S/C21H17N5O3/c1-25-16-11-15(16)21(29,20(25)28)8-7-12-4-2-5-13(10-12)26-19-14(6-3-9-23-19)17(24-26)18(22)27/h2-6,9-10,15-16,29H,11H2,1H3,(H2,22,27)/t15-,16+,21-/m0/s1
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0.880n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The ability of the nuclear factor-kappa B (NF-kB)-inducing kinase (NIK) to catalyze the hydrolysis of adenosine-5′-triphosphate (ATP) was monit...


US Patent US10550117 (2020)


BindingDB Entry DOI: 10.7270/Q2959KZ4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM431872
PNG
(1-(3-(((1S,4R,5R)-4-hydroxy-2-methyl-3-oxo-2- azab...)
Show SMILES CN1[C@H]2C[C@H]2[C@@](O)(C#Cc2cccc(c2)-n2nc(C(N)=O)c3cccnc23)C1=O
Show InChI InChI=1S/C21H17N5O3/c1-25-16-11-15(16)21(29,20(25)28)8-7-12-4-2-5-13(10-12)26-19-14(6-3-9-23-19)17(24-26)18(22)27/h2-6,9-10,15-16,29H,11H2,1H3,(H2,22,27)/t15-,16+,21+/m1/s1
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4.30n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The ability of the nuclear factor-kappa B (NF-kB)-inducing kinase (NIK) to catalyze the hydrolysis of adenosine-5′-triphosphate (ATP) was monit...


US Patent US10550117 (2020)


BindingDB Entry DOI: 10.7270/Q2959KZ4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM312799
PNG
(3-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-c2nc(C(N)=O)c3ccccn23)C1=O
Show InChI InChI=1S/C21H18N4O3/c1-24-12-10-21(28,20(24)27)9-8-14-5-4-6-15(13-14)19-23-17(18(22)26)16-7-2-3-11-25(16)19/h2-7,11,13,28H,10,12H2,1H3,(H2,22,26)/t21-/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The ability of the nuclear factor-kappa B (NF-kB)-inducing kinase (NIK) to catalyze the hydrolysis of adenosine-5′-triphosphate (ATP) was monit...


US Patent US10550117 (2020)


BindingDB Entry DOI: 10.7270/Q2959KZ4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM431889
PNG
(3-(3-(((1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2- azab...)
Show SMILES CN1[C@@H]2C[C@@H]2[C@@](O)(C#Cc2cccc(c2)-c2nc(C(N)=O)c3ccccn23)C1=O
Show InChI InChI=1S/C22H18N4O3/c1-25-17-12-15(17)22(29,21(25)28)9-8-13-5-4-6-14(11-13)20-24-18(19(23)27)16-7-2-3-10-26(16)20/h2-7,10-11,15,17,29H,12H2,1H3,(H2,23,27)/t15-,17+,22-/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The ability of the nuclear factor-kappa B (NF-kB)-inducing kinase (NIK) to catalyze the hydrolysis of adenosine-5′-triphosphate (ATP) was monit...


US Patent US10550117 (2020)


BindingDB Entry DOI: 10.7270/Q2959KZ4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%