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Compile Data Set for Download or QSAR

Found 815 hits Enz. Inhib. hit(s) with all data for entry = 6913   
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))
BDBM158752
PNG
(US9034866, 227)
Show SMILES CN1CCC(O)(C#Cc2ccc3OCCc4sc(nc4-c3c2)C(N)=O)C1=O
Show InChI InChI=1S/C19H17N3O4S/c1-22-8-7-19(25,18(22)24)6-4-11-2-3-13-12(10-11)15-14(5-9-26-13)27-17(21-15)16(20)23/h2-3,10,25H,5,7-9H2,1H3,(H2,20,23)
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US Patent
0.0400n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM158801
PNG
(US9034866, 276)
Show SMILES CN1CC[C@@](O)(C#Cc2ccc3OCCc4sc(nc4-c3c2)C(N)=O)C1=O |r|
Show InChI InChI=1S/C19H17N3O4S/c1-22-8-7-19(25,18(22)24)6-4-11-2-3-13-12(10-11)15-14(5-9-26-13)27-17(21-15)16(20)23/h2-3,10,25H,5,7-9H2,1H3,(H2,20,23)/t19-/m0/s1
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US Patent
0.0550n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM158883
PNG
(US9034866, 358)
Show SMILES Cc1cc(no1)[C@](C)(O)C#Cc1ccc2C3CC(C3)n3c(nc(C(N)=O)c3[C@H](O)c3ccnn3C)-c2c1 |r,wU:6.7,27.30,wD:6.8,(2.74,4.12,;4.07,3.35,;4.55,1.89,;6.09,1.89,;6.56,3.35,;5.32,4.26,;6.86,.55,;7.63,1.89,;8.19,-.22,;5.52,-.22,;4.19,-.99,;2.86,-1.76,;2.86,-3.3,;1.52,-4.07,;.19,-3.3,;-1.01,-4.26,;-2.52,-3.91,;-3.18,-2.53,;-1.63,-2.82,;-2.52,-1.14,;-1.01,-.8,;-.88,.74,;-2.29,1.34,;-2.69,2.83,;-4.18,3.23,;-1.6,3.92,;-3.31,.18,;-4.79,.58,;-5.19,2.07,;-5.88,-.51,;-5.41,-1.97,;-6.65,-2.88,;-7.9,-1.97,;-7.42,-.51,;-8.19,.83,;.19,-1.76,;1.52,-.99,)|
Show InChI InChI=1S/C27H26N6O4/c1-14-10-21(31-37-14)27(2,36)8-6-15-4-5-18-16-12-17(13-16)33-23(24(34)20-7-9-29-32(20)3)22(25(28)35)30-26(33)19(18)11-15/h4-5,7,9-11,16-17,24,34,36H,12-13H2,1-3H3,(H2,28,35)/t16?,17?,24-,27-/m1/s1
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0.100n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM158884
PNG
(US9034866, 359)
Show SMILES Cc1cc(no1)[C@](C)(O)C#Cc1ccc2C3CC(C3)n3c(nc(C(N)=O)c3[C@@H](O)c3ccnn3C)-c2c1 |r,wU:6.7,wD:6.8,27.30,(2.74,4.12,;4.07,3.35,;4.55,1.89,;6.09,1.89,;6.56,3.35,;5.32,4.26,;6.86,.55,;7.63,1.89,;8.19,-.22,;5.52,-.22,;4.19,-.99,;2.86,-1.76,;2.86,-3.3,;1.52,-4.07,;.19,-3.3,;-1.01,-4.26,;-2.52,-3.91,;-3.18,-2.53,;-1.63,-2.82,;-2.52,-1.14,;-1.01,-.8,;-.88,.74,;-2.29,1.34,;-2.69,2.83,;-4.18,3.23,;-1.6,3.92,;-3.31,.18,;-4.79,.58,;-5.19,2.07,;-5.88,-.51,;-5.41,-1.97,;-6.65,-2.88,;-7.9,-1.97,;-7.42,-.51,;-8.19,.83,;.19,-1.76,;1.52,-.99,)|
Show InChI InChI=1S/C27H26N6O4/c1-14-10-21(31-37-14)27(2,36)8-6-15-4-5-18-16-12-17(13-16)33-23(24(34)20-7-9-29-32(20)3)22(25(28)35)30-26(33)19(18)11-15/h4-5,7,9-11,16-17,24,34,36H,12-13H2,1-3H3,(H2,28,35)/t16?,17?,24-,27+/m0/s1
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0.100n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM159087
PNG
(US9034866, 562)
Show SMILES C[C@@H]1COc2ccc(cc2-c2nc(sc12)C(N)=O)C#C[C@]1(O)CCNC1=O |r|
Show InChI InChI=1S/C19H17N3O4S/c1-10-9-26-13-3-2-11(4-5-19(25)6-7-21-18(19)24)8-12(13)14-15(10)27-17(22-14)16(20)23/h2-3,8,10,25H,6-7,9H2,1H3,(H2,20,23)(H,21,24)/t10-,19+/m1/s1
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0.100n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM159077
PNG
(US9034866, 552)
Show SMILES C[C@H]1COc2ccc(cc2-c2nc(sc12)C(N)=O)C#C[C@]1(O)CCNC1=O |r|
Show InChI InChI=1S/C19H17N3O4S/c1-10-9-26-13-3-2-11(4-5-19(25)6-7-21-18(19)24)8-12(13)14-15(10)27-17(22-14)16(20)23/h2-3,8,10,25H,6-7,9H2,1H3,(H2,20,23)(H,21,24)/t10-,19-/m0/s1
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0.100n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM158931
PNG
(US9034866, 406)
Show SMILES CN1CC[C@@](O)(C#Cc2ccc3OCC(F)(F)c4sc(nc4-c3c2)C(N)=O)C1=O |r|
Show InChI InChI=1S/C19H15F2N3O4S/c1-24-7-6-18(27,17(24)26)5-4-10-2-3-12-11(8-10)13-14(19(20,21)9-28-12)29-16(23-13)15(22)25/h2-3,8,27H,6-7,9H2,1H3,(H2,22,25)/t18-/m0/s1
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<0.100n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM158798
PNG
(US9034866, 273)
Show SMILES CNC(=O)c1c(nc2-c3cc(C#CC4(O)CCCC4)c(F)cc3C3CC(C3)n12)C(N)=O |(-8.37,-.05,;-6.88,-.45,;-5.79,.64,;-6.19,2.13,;-4.3,.24,;-3.4,1.49,;-1.93,1.01,;-1.93,-.53,;-.67,-1.57,;.66,-.8,;1.99,-1.57,;3.33,-.8,;4.66,-.03,;6,.74,;4.66,1.51,;7.46,.27,;8.37,1.51,;7.46,2.76,;6,2.28,;1.99,-3.11,;3.33,-3.88,;.66,-3.88,;-.67,-3.11,;-1.88,-4.07,;-3.38,-3.72,;-4.05,-2.34,;-2.54,-2.6,;-3.4,-1,;-3.79,2.98,;-5.28,3.38,;-2.71,4.07,)|
Show InChI InChI=1S/C23H23FN4O3/c1-26-22(30)19-18(20(25)29)27-21-16-10-12(4-7-23(31)5-2-3-6-23)17(24)11-15(16)13-8-14(9-13)28(19)21/h10-11,13-14,31H,2-3,5-6,8-9H2,1H3,(H2,25,29)(H,26,30)
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US Patent
0.120n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM158775
PNG
(US9034866, 250)
Show SMILES CNC(=O)c1c(nc2-c3cc(ccc3C3CC(C3)n12)C#CC(C)(C)O)C(N)=O |(-7.71,-.66,;-6.22,-1.06,;-5.45,.27,;-6.22,1.6,;-3.91,.27,;-3,1.52,;-1.54,1.04,;-1.54,-.5,;-.3,-1.59,;1.04,-.82,;2.37,-1.59,;2.37,-3.13,;1.04,-3.9,;-.3,-3.13,;-1.5,-4.09,;-3,-3.75,;-3.67,-2.36,;-2.06,-2.68,;-3,-.98,;3.7,-.82,;5.04,-.05,;6.37,.72,;7.71,-.05,;7.71,1.49,;6.37,2.26,;-3.4,3,;-4.89,3.4,;-2.31,4.09,)|
Show InChI InChI=1S/C21H22N4O3/c1-21(2,28)7-6-11-4-5-14-12-9-13(10-12)25-17(20(27)23-3)16(18(22)26)24-19(25)15(14)8-11/h4-5,8,12-13,28H,9-10H2,1-3H3,(H2,22,26)(H,23,27)
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0.120n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM158808
PNG
(US9034866, 283)
Show SMILES Cn1c(nc-2c1C1CC(C1)c1cc(F)c(cc-21)C#C[C@@](C)(O)c1ncccn1)C(N)=O |r,wU:19.23,wD:19.24,(-6.49,.12,;-5,-.28,;-3.99,.88,;-2.58,.28,;-2.71,-1.25,;-4.22,-1.6,;-4.88,-2.98,;-4.22,-4.37,;-2.71,-4.72,;-3.38,-3.31,;-1.51,-3.75,;-.18,-4.52,;1.16,-3.75,;2.49,-4.52,;1.16,-2.21,;-.18,-1.44,;-1.51,-2.21,;2.49,-1.44,;3.82,-.67,;5.16,.1,;5.93,-1.24,;6.49,-.67,;5.16,1.64,;6.49,2.41,;6.49,3.95,;5.16,4.72,;3.82,3.95,;3.82,2.41,;-4.39,2.37,;-3.3,3.46,;-5.88,2.77,)|
Show InChI InChI=1S/C23H20FN5O2/c1-23(31,22-26-6-3-7-27-22)5-4-12-10-16-15(11-17(12)24)13-8-14(9-13)19-18(16)28-21(20(25)30)29(19)2/h3,6-7,10-11,13-14,31H,8-9H2,1-2H3,(H2,25,30)/t13?,14?,23-/m1/s1
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US Patent
0.160n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM158532
PNG
(US9034866, 7)
Show SMILES Cc1cc(no1)[C@](C)(O)C#Cc1ccc2OCCc3sc(nc3-c2c1)C(N)=O |r|
Show InChI InChI=1S/C20H17N3O4S/c1-11-9-16(23-27-11)20(2,25)7-5-12-3-4-14-13(10-12)17-15(6-8-26-14)28-19(22-17)18(21)24/h3-4,9-10,25H,6,8H2,1-2H3,(H2,21,24)/t20-/m1/s1
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US Patent
0.200n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM158565
PNG
(US9034866, 40)
Show SMILES NC(=O)c1nc-2c(CCOc3cc(F)c(cc-23)C#CC2(O)CCCC2)s1
Show InChI InChI=1S/C19H17FN2O3S/c20-13-10-14-12(9-11(13)3-7-19(24)5-1-2-6-19)16-15(4-8-25-14)26-18(22-16)17(21)23/h9-10,24H,1-2,4-6,8H2,(H2,21,23)
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0.200n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM159164
PNG
(US9034866, 641)
Show SMILES CN1CC[C@@](O)(C#Cc2cc3-c4nc(sc4C(F)(F)COc3cc2F)C(N)=O)C1=O |r|
Show InChI InChI=1S/C19H14F3N3O4S/c1-25-5-4-18(28,17(25)27)3-2-9-6-10-12(7-11(9)20)29-8-19(21,22)14-13(10)24-16(30-14)15(23)26/h6-7,28H,4-5,8H2,1H3,(H2,23,26)/t18-/m0/s1
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0.200n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM158886
PNG
(US9034866, 361)
Show SMILES CNC(=O)c1c(nc2-c3cc(ccc3C3CC(C3)n12)C#CC1(O)CCC1)C(N)=O |(-8.06,.06,;-6.57,-.34,;-5.48,.75,;-5.88,2.24,;-3.99,.35,;-2.98,1.51,;-1.56,.91,;-1.7,-.63,;-.5,-1.59,;.84,-.82,;2.17,-1.59,;2.17,-3.13,;.84,-3.9,;-.5,-3.13,;-1.7,-4.09,;-3.2,-3.75,;-3.87,-2.36,;-2.31,-2.65,;-3.2,-.97,;3.5,-.82,;4.84,-.05,;6.17,.72,;4.84,1.49,;7.66,.32,;8.06,1.81,;6.57,2.21,;-3.38,3,;-2.29,4.09,;-4.87,3.4,)|
Show InChI InChI=1S/C22H22N4O3/c1-24-21(28)18-17(19(23)27)25-20-16-9-12(5-8-22(29)6-2-7-22)3-4-15(16)13-10-14(11-13)26(18)20/h3-4,9,13-14,29H,2,6-7,10-11H2,1H3,(H2,23,27)(H,24,28)
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US Patent
0.200n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM158904
PNG
(US9034866, 379)
Show SMILES Cc1cc(no1)[C@](C)(O)C#Cc1ccc2C3CC(C3)n3c(Cc4ccnn4C)c(nc3-c2c1)C(N)=O |r,wU:6.7,wD:6.8,(2.74,4.12,;4.07,3.35,;4.55,1.89,;6.09,1.89,;6.56,3.35,;5.32,4.26,;6.86,.55,;7.63,1.89,;8.19,-.22,;5.52,-.22,;4.19,-.99,;2.86,-1.76,;2.86,-3.3,;1.52,-4.07,;.19,-3.3,;-1.01,-4.26,;-2.52,-3.91,;-3.18,-2.53,;-1.57,-2.53,;-2.52,-1.14,;-3.31,.18,;-4.79,.58,;-5.88,-.51,;-5.41,-1.97,;-6.65,-2.88,;-7.9,-1.97,;-7.42,-.51,;-8.19,.83,;-2.29,1.34,;-.88,.74,;-1.01,-.8,;.19,-1.76,;1.52,-.99,;-2.69,2.83,;-4.18,3.23,;-1.6,3.92,)|
Show InChI InChI=1S/C27H26N6O3/c1-15-10-23(31-36-15)27(2,35)8-6-16-4-5-20-17-12-19(13-17)33-22(14-18-7-9-29-32(18)3)24(25(28)34)30-26(33)21(20)11-16/h4-5,7,9-11,17,19,35H,12-14H2,1-3H3,(H2,28,34)/t17?,19?,27-/m1/s1
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US Patent
0.200n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM158794
PNG
(US9034866, 269)
Show SMILES Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc([nH]c3C3CC(C3)c2cc1F)C(N)=O |r,wU:6.7,wD:6.8,(6.29,5.03,;5.52,3.69,;5.99,2.23,;4.75,1.32,;3.5,2.23,;3.98,3.69,;4.75,-.22,;5.15,-1.7,;6.08,-.99,;3.41,-.99,;2.08,-1.76,;.75,-2.53,;-.59,-1.76,;-1.92,-2.53,;-3.12,-1.57,;-2.99,-.03,;-4.4,.57,;-5.42,-.59,;-4.63,-1.91,;-5.29,-3.3,;-4.63,-4.68,;-3.12,-5.03,;-3.68,-3.61,;-1.92,-4.07,;-.59,-4.84,;.75,-4.07,;2.08,-4.84,;-4.8,2.06,;-3.71,3.15,;-6.29,2.46,)|
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0.200n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM158788
PNG
(US9034866, 263)
Show SMILES CN1CC[C@@](O)(C#Cc2cc3-c4nc(cn4CCOc3cc2F)C(N)=O)C1=O |r|
Show InChI InChI=1S/C19H17FN4O4/c1-23-5-4-19(27,18(23)26)3-2-11-8-12-15(9-13(11)20)28-7-6-24-10-14(16(21)25)22-17(12)24/h8-10,27H,4-7H2,1H3,(H2,21,25)/t19-/m0/s1
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0.240n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM159183
PNG
(US9034866, 660)
Show SMILES Cc1cnc(o1)[C@](C)(O)C#Cc1ccc2C3CC(C3)n3cc(nc3-c2c1)C(N)=O |r,wU:6.8,wD:6.7,(8.21,.73,;6.88,-.04,;6.4,-1.51,;4.86,-1.51,;4.38,-.04,;5.63,.86,;3.05,.73,;4.38,1.5,;3.05,2.27,;1.72,-.04,;.38,-.81,;-.95,-1.58,;-.95,-3.12,;-2.28,-3.89,;-3.62,-3.12,;-4.82,-4.08,;-6.32,-3.74,;-6.99,-2.35,;-5.21,-2.35,;-6.32,-.98,;-7.23,.26,;-6.32,1.51,;-4.86,1.03,;-4.86,-.51,;-3.62,-1.58,;-2.28,-.81,;-6.72,3,;-5.63,4.08,;-8.21,3.39,)|
Show InChI InChI=1S/C22H20N4O3/c1-12-10-24-21(29-12)22(2,28)6-5-13-3-4-16-14-8-15(9-14)26-11-18(19(23)27)25-20(26)17(16)7-13/h3-4,7,10-11,14-15,28H,8-9H2,1-2H3,(H2,23,27)/t14?,15?,22-/m1/s1
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US Patent
0.290n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM159182
PNG
(US9034866, 659)
Show SMILES Cc1cnc(o1)[C@@](C)(O)C#Cc1ccc2C3CC(C3)n3cc(nc3-c2c1)C(N)=O |r,wU:6.7,wD:6.8,(8.21,.73,;6.88,-.04,;6.4,-1.51,;4.86,-1.51,;4.38,-.04,;5.63,.86,;3.05,.73,;4.38,1.5,;2.65,2.21,;1.72,-.04,;.38,-.81,;-.95,-1.58,;-.95,-3.12,;-2.28,-3.89,;-3.62,-3.12,;-4.82,-4.08,;-6.32,-3.74,;-6.99,-2.35,;-5.21,-2.35,;-6.32,-.98,;-7.23,.26,;-6.32,1.51,;-4.86,1.03,;-4.86,-.51,;-3.62,-1.58,;-2.28,-.81,;-6.72,3,;-5.63,4.08,;-8.21,3.39,)|
Show InChI InChI=1S/C22H20N4O3/c1-12-10-24-21(29-12)22(2,28)6-5-13-3-4-16-14-8-15(9-14)26-11-18(19(23)27)25-20(26)17(16)7-13/h3-4,7,10-11,14-15,28H,8-9H2,1-2H3,(H2,23,27)/t14?,15?,22-/m0/s1
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US Patent
0.290n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM159241
PNG
(US9034866, 718)
Show SMILES CN1CC[C@@](O)(C#Cc2ccc3OCCc4c(C(F)F)c(nn4-c3c2)C(N)=O)C1=O |r|
Show InChI InChI=1S/C20H18F2N4O4/c1-25-8-7-20(29,19(25)28)6-4-11-2-3-14-13(10-11)26-12(5-9-30-14)15(17(21)22)16(24-26)18(23)27/h2-3,10,17,29H,5,7-9H2,1H3,(H2,23,27)/t20-/m0/s1
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0.300n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM158531
PNG
(US9034866, 6)
Show SMILES Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O |r|
Show InChI InChI=1S/C20H17FN4O4/c1-11-7-17(24-29-11)20(2,27)4-3-12-8-13-16(9-14(12)21)28-6-5-25-10-15(18(22)26)23-19(13)25/h7-10,27H,5-6H2,1-2H3,(H2,22,26)/t20-/m1/s1
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0.300n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM158621
PNG
(US9034866, 96)
Show SMILES CNC(=O)c1c(nc2-c3cc(ccc3OCCn12)C#C[C@@](C)(O)c1cc(C)on1)C(N)=O |r|
Show InChI InChI=1S/C22H21N5O5/c1-12-10-16(26-32-12)22(2,30)7-6-13-4-5-15-14(11-13)20-25-17(19(23)28)18(21(29)24-3)27(20)8-9-31-15/h4-5,10-11,30H,8-9H2,1-3H3,(H2,23,28)(H,24,29)/t22-/m1/s1
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0.300n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM158967
PNG
(US9034866, 442)
Show SMILES C[C@H]1COc2ccc(cc2-c2nc(sc12)C(N)=O)C#C[C@]1(O)CCN(C)C1=O |r|
Show InChI InChI=1S/C20H19N3O4S/c1-11-10-27-14-4-3-12(5-6-20(26)7-8-23(2)19(20)25)9-13(14)15-16(11)28-18(22-15)17(21)24/h3-4,9,11,26H,7-8,10H2,1-2H3,(H2,21,24)/t11-,20-/m0/s1
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0.300n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM158936
PNG
(US9034866, 411)
Show SMILES CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)n(C(F)F)c3C3CC(C3)c2cc1F |(6.37,-.61,;5.6,.72,;7.14,.72,;5.6,2.26,;4.27,-.05,;2.93,-.82,;1.6,-1.59,;.27,-.82,;-1.07,-1.59,;-2.27,-.63,;-2.13,.91,;-3.55,1.51,;-3.95,3,;-5.44,3.4,;-2.86,4.09,;-4.56,.35,;-6.05,.75,;-7.14,-.34,;-6.45,2.24,;-3.77,-.97,;-4.44,-2.36,;-3.77,-3.75,;-2.27,-4.09,;-2.88,-2.65,;-1.07,-3.13,;.27,-3.9,;1.6,-3.13,;2.93,-3.9,)|
Show InChI InChI=1S/C20H18F3N3O2/c1-20(2,28)4-3-9-7-13-12(8-14(9)21)10-5-11(6-10)16-15(13)25-18(17(24)27)26(16)19(22)23/h7-8,10-11,19,28H,5-6H2,1-2H3,(H2,24,27)
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US Patent
0.300n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM158966
PNG
(US9034866, 441)
Show SMILES C[C@@H]1COc2ccc(cc2-c2nc(sc12)C(N)=O)C#C[C@]1(O)CCN(C)C1=O |r|
Show InChI InChI=1S/C20H19N3O4S/c1-11-10-27-14-4-3-12(5-6-20(26)7-8-23(2)19(20)25)9-13(14)15-16(11)28-18(22-15)17(21)24/h3-4,9,11,26H,7-8,10H2,1-2H3,(H2,21,24)/t11-,20+/m1/s1
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0.300n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM158675
PNG
(US9034866, 150)
Show SMILES Cc1cc(no1)[C@](C)(O)C#Cc1ccc2C3CC(C3)n3cc(nc3-c2c1)C(N)=O |r,wU:6.8,wD:6.7,(8.1,.72,;6.76,-.05,;5.52,.86,;4.27,-.05,;4.75,-1.51,;6.29,-1.51,;2.94,.72,;4.27,1.49,;2.94,2.26,;1.6,-.05,;.27,-.82,;-1.06,-1.59,;-1.06,-3.13,;-2.4,-3.9,;-3.73,-3.13,;-4.93,-4.09,;-6.44,-3.75,;-7.1,-2.36,;-5.49,-2.59,;-6.44,-.97,;-7.22,.35,;-6.21,1.51,;-4.8,.91,;-4.93,-.63,;-3.73,-1.59,;-2.4,-.82,;-6.61,3,;-5.52,4.09,;-8.1,3.4,)|
Show InChI InChI=1S/C22H20N4O3/c1-12-7-19(25-29-12)22(2,28)6-5-13-3-4-16-14-9-15(10-14)26-11-18(20(23)27)24-21(26)17(16)8-13/h3-4,7-8,11,14-15,28H,9-10H2,1-2H3,(H2,23,27)/t14?,15?,22-/m1/s1
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0.300n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM158743
PNG
(US9034866, 218)
Show SMILES Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C4CC4)n3C3CC(C3)c2cc1F |r,wU:6.8,wD:6.9,(-9.15,-.72,;-7.82,-1.49,;-6.57,-.59,;-5.32,-1.49,;-5.8,-2.96,;-7.34,-2.96,;-3.99,-.72,;-3.22,-2.06,;-5.32,.05,;-2.66,.05,;-1.32,.82,;.01,1.59,;1.34,.82,;2.68,1.59,;3.88,.63,;3.74,-.91,;5.16,-1.51,;5.56,-3,;4.47,-4.09,;7.05,-3.4,;6.17,-.35,;7.66,-.75,;8.75,-1.84,;9.15,-.35,;5.38,.97,;6.05,2.36,;5.38,3.75,;3.88,4.09,;4.56,2.76,;2.68,3.13,;1.34,3.9,;.01,3.13,;-1.32,3.9,)|
Show InChI InChI=1S/C25H23FN4O3/c1-12-7-20(29-33-12)25(2,32)6-5-14-10-18-17(11-19(14)26)15-8-16(9-15)30-22(13-3-4-13)21(23(27)31)28-24(18)30/h7,10-11,13,15-16,32H,3-4,8-9H2,1-2H3,(H2,27,31)/t15?,16?,25-/m1/s1
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US Patent
0.310n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM159203
PNG
(US9034866, 680)
Show SMILES CN1CC[C@@](O)(C#Cc2ccc3OCC(F)(F)c4cc(nn4-c3c2)C(N)=O)C1=O |r|
Show InChI InChI=1S/C19H16F2N4O4/c1-24-7-6-18(28,17(24)27)5-4-11-2-3-14-13(8-11)25-15(19(20,21)10-29-14)9-12(23-25)16(22)26/h2-3,8-9,28H,6-7,10H2,1H3,(H2,22,26)/t18-/m0/s1
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US Patent
0.330n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM159204
PNG
(US9034866, 681)
Show SMILES CN1CC[C@](O)(C#Cc2ccc3OCC(F)(F)c4cc(nn4-c3c2)C(N)=O)C1=O |r|
Show InChI InChI=1S/C19H16F2N4O4/c1-24-7-6-18(28,17(24)27)5-4-11-2-3-14-13(8-11)25-15(19(20,21)10-29-14)9-12(23-25)16(22)26/h2-3,8-9,28H,6-7,10H2,1H3,(H2,22,26)/t18-/m1/s1
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0.330n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM158782
PNG
(US9034866, 257)
Show SMILES CN(C)[C@H]1COc2cc(F)c(cc2-c2nc(sc12)C(N)=O)C#C[C@@](C)(O)c1cc(C)on1 |r|
Show InChI InChI=1S/C22H21FN4O4S/c1-11-7-17(26-31-11)22(2,29)6-5-12-8-13-16(9-14(12)23)30-10-15(27(3)4)19-18(13)25-21(32-19)20(24)28/h7-9,15,29H,10H2,1-4H3,(H2,24,28)/t15-,22+/m0/s1
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US Patent
0.330n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM158779
PNG
(US9034866, 254)
Show SMILES CN(C)[C@@H]1COc2cc(F)c(cc2-c2nc(sc12)C(N)=O)C#C[C@@](C)(O)c1cc(C)on1 |r|
Show InChI InChI=1S/C22H21FN4O4S/c1-11-7-17(26-31-11)22(2,29)6-5-12-8-13-16(9-14(12)23)30-10-15(27(3)4)19-18(13)25-21(32-19)20(24)28/h7-9,15,29H,10H2,1-4H3,(H2,24,28)/t15-,22-/m1/s1
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0.330n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM159096
PNG
(US9034866, 571 | US9034866, 684)
Show SMILES NC(=O)c1cc2n(n1)-c1cc(ccc1OCC2(F)F)C#C[C@]1(O)CCNC1=O |r|
Show InChI InChI=1S/C18H14F2N4O4/c19-18(20)9-28-13-2-1-10(3-4-17(27)5-6-22-16(17)26)7-12(13)24-14(18)8-11(23-24)15(21)25/h1-2,7-8,27H,5-6,9H2,(H2,21,25)(H,22,26)/t17-/m0/s1
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0.330n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM159089
PNG
(US9034866, 564)
Show SMILES C[C@H]1COc2ccc(cc2-n2nc(C(N)=O)c(c12)C(F)(F)F)C#C[C@]1(O)CCN(C)C1=O |r|
Show InChI InChI=1S/C21H19F3N4O4/c1-11-10-32-14-4-3-12(5-6-20(31)7-8-27(2)19(20)30)9-13(14)28-17(11)15(21(22,23)24)16(26-28)18(25)29/h3-4,9,11,31H,7-8,10H2,1-2H3,(H2,25,29)/t11-,20-/m0/s1
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0.390n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM159082
PNG
(US9034866, 557)
Show SMILES C[C@@H]1COc2ccc(cc2-n2nc(C(N)=O)c(c12)C(F)(F)F)C#C[C@]1(O)CCN(C)C1=O |r|
Show InChI InChI=1S/C21H19F3N4O4/c1-11-10-32-14-4-3-12(5-6-20(31)7-8-27(2)19(20)30)9-13(14)28-17(11)15(21(22,23)24)16(26-28)18(25)29/h3-4,9,11,31H,7-8,10H2,1-2H3,(H2,25,29)/t11-,20+/m1/s1
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0.390n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM159170
PNG
(US9034866, 647)
Show SMILES CN1CC[C@@](O)(C#Cc2ccc3OC[C@H](O)c4sc(nc4-c3c2)C(N)=O)C1=O |r|
Show InChI InChI=1S/C19H17N3O5S/c1-22-7-6-19(26,18(22)25)5-4-10-2-3-13-11(8-10)14-15(12(23)9-27-13)28-17(21-14)16(20)24/h2-3,8,12,23,26H,6-7,9H2,1H3,(H2,20,24)/t12-,19-/m0/s1
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0.400n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM159171
PNG
(US9034866, 648)
Show SMILES CN1CC[C@@](O)(C#Cc2ccc3OC[C@@H](O)c4sc(nc4-c3c2)C(N)=O)C1=O |r|
Show InChI InChI=1S/C19H17N3O5S/c1-22-7-6-19(26,18(22)25)5-4-10-2-3-13-11(8-10)14-15(12(23)9-27-13)28-17(21-14)16(20)24/h2-3,8,12,23,26H,6-7,9H2,1H3,(H2,20,24)/t12-,19+/m1/s1
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0.400n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM159242
PNG
(US9034866, 719)
Show SMILES CN1CC[C@@](O)(C#Cc2ccc3OCC(F)(F)c4c(Cl)c(nn4-c3c2)C(N)=O)C1=O |r|
Show InChI InChI=1S/C19H15ClF2N4O4/c1-25-7-6-18(29,17(25)28)5-4-10-2-3-12-11(8-10)26-15(19(21,22)9-30-12)13(20)14(24-26)16(23)27/h2-3,8,29H,6-7,9H2,1H3,(H2,23,27)/t18-/m0/s1
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0.400n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM159044
PNG
(US9034866, 519)
Show SMILES C[C@H]1COc2ccc(cc2-n2nc(cc12)C(N)=O)C#C[C@](C)(O)c1cc(C)on1 |r|
Show InChI InChI=1S/C21H20N4O4/c1-12-11-28-18-5-4-14(6-7-21(3,27)19-8-13(2)29-24-19)9-17(18)25-16(12)10-15(23-25)20(22)26/h4-5,8-10,12,27H,11H2,1-3H3,(H2,22,26)/t12-,21-/m0/s1
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0.400n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM158697
PNG
(US9034866, 172)
Show SMILES CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(-c4nc(n[nH]4)-c4cccnc4)n3CCOc2cc1F
Show InChI InChI=1S/C24H20FN7O3/c1-24(2,34)6-5-13-10-15-17(11-16(13)25)35-9-8-32-19(18(20(26)33)28-23(15)32)22-29-21(30-31-22)14-4-3-7-27-12-14/h3-4,7,10-12,34H,8-9H2,1-2H3,(H2,26,33)(H,29,30,31)
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0.400n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM158893
PNG
(US9034866, 368)
Show SMILES CNC(=O)c1c(nc2-c3cc(C#CC4(O)CCC4)c(F)cc3C3CC(C3)n12)C(N)=O |(-8.06,.06,;-6.57,-.34,;-5.48,.75,;-5.88,2.24,;-3.99,.35,;-2.98,1.51,;-1.56,.91,;-1.7,-.63,;-.5,-1.59,;.84,-.82,;2.17,-1.59,;3.5,-.82,;4.84,-.05,;6.17,.72,;4.84,1.49,;7.66,.32,;8.06,1.81,;6.57,2.21,;2.17,-3.13,;3.5,-3.9,;.84,-3.9,;-.5,-3.13,;-1.7,-4.09,;-3.2,-3.75,;-3.87,-2.36,;-2.26,-2.36,;-3.2,-.97,;-3.38,3,;-2.29,4.09,;-4.87,3.4,)|
Show InChI InChI=1S/C22H21FN4O3/c1-25-21(29)18-17(19(24)28)26-20-15-9-11(3-6-22(30)4-2-5-22)16(23)10-14(15)12-7-13(8-12)27(18)20/h9-10,12-13,30H,2,4-5,7-8H2,1H3,(H2,24,28)(H,25,29)
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0.400n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM159038
PNG
(US9034866, 513)
Show SMILES C[C@@H]1COc2ccc(cc2-n2nc(cc12)C(N)=O)C#C[C@](C)(O)c1cc(C)on1 |r|
Show InChI InChI=1S/C21H20N4O4/c1-12-11-28-18-5-4-14(6-7-21(3,27)19-8-13(2)29-24-19)9-17(18)25-16(12)10-15(23-25)20(22)26/h4-5,8-10,12,27H,11H2,1-3H3,(H2,22,26)/t12-,21+/m1/s1
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0.400n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM158610
PNG
(US9034866, 85)
Show SMILES CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C(=O)NCC#N)n3CCOc2cc1F
Show InChI InChI=1S/C20H18FN5O4/c1-20(2,29)4-3-11-9-12-14(10-13(11)21)30-8-7-26-16(19(28)24-6-5-22)15(17(23)27)25-18(12)26/h9-10,29H,6-8H2,1-2H3,(H2,23,27)(H,24,28)
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0.400n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM159240
PNG
(US9034866, 717)
Show SMILES CN1CC[C@@](O)(C#Cc2ccc3OCC4(CCC4)c4cc(nn4-c3c2)C(N)=O)C1=O |r|
Show InChI InChI=1S/C22H22N4O4/c1-25-10-9-22(29,20(25)28)8-5-14-3-4-17-16(11-14)26-18(12-15(24-26)19(23)27)21(13-30-17)6-2-7-21/h3-4,11-12,29H,2,6-7,9-10,13H2,1H3,(H2,23,27)/t22-/m0/s1
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0.5n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM158724
PNG
(US9034866, 199)
Show SMILES Cc1cc(no1)[C@](C)(O)C#Cc1ccc2C3CC(C3)n3c(nc(C(N)=O)c3C(F)(F)F)-c2c1 |r,wU:6.8,wD:6.7,(9.15,.72,;7.82,-.05,;6.57,.86,;5.32,-.05,;5.8,-1.51,;7.34,-1.51,;3.99,.72,;5.32,1.49,;3.99,2.26,;2.66,-.05,;1.32,-.82,;-.01,-1.59,;-.01,-3.13,;-1.34,-3.9,;-2.68,-3.13,;-3.88,-4.09,;-5.38,-3.75,;-6.05,-2.36,;-4.44,-2.67,;-5.38,-.97,;-3.88,-.63,;-3.74,.91,;-5.16,1.51,;-5.56,3,;-4.47,4.09,;-7.05,3.4,;-6.17,.35,;-7.66,.75,;-8.75,-.34,;-8.06,2.24,;-9.15,1.15,;-2.68,-1.59,;-1.34,-.82,)|
Show InChI InChI=1S/C23H19F3N4O3/c1-11-7-17(29-33-11)22(2,32)6-5-12-3-4-15-13-9-14(10-13)30-19(23(24,25)26)18(20(27)31)28-21(30)16(15)8-12/h3-4,7-8,13-14,32H,9-10H2,1-2H3,(H2,27,31)/t13?,14?,22-/m1/s1
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0.5n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM158773
PNG
(US9034866, 248)
Show SMILES CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(n3C3CC(C3)c2cc1F)C(C)(C)O |(7.36,.36,;6.03,1.13,;7.36,1.9,;5.63,2.62,;4.7,.36,;3.36,-.41,;2.03,-1.18,;.63,-.53,;-.63,-1.42,;-1.91,-.57,;-1.91,.97,;-3.38,1.44,;-3.78,2.93,;-5.26,3.33,;-2.69,4.02,;-4.28,.2,;-3.38,-1.05,;-3.92,-2.49,;-3.13,-3.81,;-1.6,-4.02,;-2.43,-2.26,;-.49,-2.96,;.91,-3.6,;2.17,-2.72,;3.5,-3.49,;-5.82,.2,;-6.59,-1.14,;-7.36,.2,;-6.59,1.53,)|
Show InChI InChI=1S/C22H24FN3O3/c1-21(2,28)6-5-11-9-15-14(10-16(11)23)12-7-13(8-12)26-18(22(3,4)29)17(19(24)27)25-20(15)26/h9-10,12-13,28-29H,7-8H2,1-4H3,(H2,24,27)
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0.5n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM158944
PNG
(US9034866, 419)
Show SMILES CNC(=O)c1c(nc2-c3cc(ccc3OCCn12)C#C[C@]1(O)CCN(C)C1=O)C(N)=O |r|
Show InChI InChI=1S/C21H21N5O5/c1-23-19(28)16-15(17(22)27)24-18-13-11-12(3-4-14(13)31-10-9-26(16)18)5-6-21(30)7-8-25(2)20(21)29/h3-4,11,30H,7-10H2,1-2H3,(H2,22,27)(H,23,28)/t21-/m0/s1
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0.5n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM158906
PNG
(US9034866, 381)
Show SMILES CN1CC[C@@](O)(C#Cc2cc3-c4nc(C(N)=O)n(C)c4C4CC(C4)c3cc2F)C1=O |r,wU:4.5,wD:4.4,(3.62,4.26,;4.39,2.92,;5.93,2.92,;6.4,1.46,;5.16,.55,;6.49,-.22,;3.82,-.22,;2.49,-.99,;1.16,-1.76,;-.18,-.99,;-1.51,-1.76,;-2.71,-.8,;-2.58,.74,;-3.99,1.34,;-4.39,2.83,;-3.3,3.92,;-5.88,3.23,;-5,.18,;-6.49,.58,;-4.22,-1.14,;-4.88,-2.53,;-4.22,-3.91,;-2.71,-4.26,;-3.33,-2.82,;-1.51,-3.3,;-.18,-4.07,;1.16,-3.3,;2.49,-4.07,;3.91,1.46,;2.58,.69,)|
Show InChI InChI=1S/C22H21FN4O3/c1-26-6-5-22(30,21(26)29)4-3-11-9-15-14(10-16(11)23)12-7-13(8-12)18-17(15)25-20(19(24)28)27(18)2/h9-10,12-13,30H,5-8H2,1-2H3,(H2,24,28)/t12?,13?,22-/m0/s1
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US Patent
0.5n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM158907
PNG
(US9034866, 382)
Show SMILES CN1CC[C@](O)(C#Cc2cc3-c4nc(C(N)=O)n(C)c4C4CC(C4)c3cc2F)C1=O |r,wU:4.4,wD:4.5,(3.62,4.26,;4.39,2.92,;5.93,2.92,;6.4,1.46,;5.16,.55,;6.49,-.22,;3.82,-.22,;2.49,-.99,;1.16,-1.76,;-.18,-.99,;-1.51,-1.76,;-2.71,-.8,;-2.58,.74,;-3.99,1.34,;-4.39,2.83,;-3.3,3.92,;-5.88,3.23,;-5,.18,;-6.49,.58,;-4.22,-1.14,;-4.88,-2.53,;-4.22,-3.91,;-2.71,-4.26,;-3.33,-2.82,;-1.51,-3.3,;-.18,-4.07,;1.16,-3.3,;2.49,-4.07,;3.91,1.46,;2.58,.69,)|
Show InChI InChI=1S/C22H21FN4O3/c1-26-6-5-22(30,21(26)29)4-3-11-9-15-14(10-16(11)23)12-7-13(8-12)18-17(15)25-20(19(24)28)27(18)2/h9-10,12-13,30H,5-8H2,1-2H3,(H2,24,28)/t12?,13?,22-/m1/s1
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0.5n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM158806
PNG
(US9034866, 281)
Show SMILES Cc1nc(no1)[C@](C)(O)C#Cc1cc2-c3nc(C(N)=O)n(C)c3C3CC(C3)c2cc1F |r,wU:6.7,wD:6.8,(6.6,5.03,;5.83,3.69,;6.3,2.23,;5.06,1.32,;3.81,2.23,;4.29,3.69,;5.06,-.22,;5.83,-1.55,;6.39,-.99,;3.72,-.99,;2.39,-1.76,;1.05,-2.53,;-.28,-1.76,;-1.61,-2.53,;-2.82,-1.57,;-2.68,-.03,;-4.09,.57,;-4.49,2.06,;-3.4,3.15,;-5.98,2.46,;-5.11,-.59,;-6.6,-.19,;-4.32,-1.91,;-4.99,-3.3,;-4.32,-4.68,;-2.82,-5.03,;-3.49,-3.63,;-1.61,-4.07,;-.28,-4.84,;1.05,-4.07,;2.39,-4.84,)|
Show InChI InChI=1S/C22H20FN5O3/c1-10-25-21(27-31-10)22(2,30)5-4-11-8-15-14(9-16(11)23)12-6-13(7-12)18-17(15)26-20(19(24)29)28(18)3/h8-9,12-13,30H,6-7H2,1-3H3,(H2,24,29)/t12?,13?,22-/m1/s1
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0.5n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14


(Homo sapiens (Human))
BDBM158889
PNG
(US9034866, 364)
Show SMILES NC(=O)c1cn2C3CC(C3)c3cc(F)c(cc3-c2n1)C#CC1(O)CCC1 |(-3.88,4.09,;-4.97,3,;-6.46,3.4,;-4.58,1.51,;-5.59,.35,;-4.8,-.97,;-5.47,-2.36,;-4.8,-3.75,;-3.3,-4.09,;-3.85,-2.36,;-2.09,-3.13,;-.76,-3.9,;.57,-3.13,;1.91,-3.9,;.57,-1.59,;-.76,-.82,;-2.09,-1.59,;-3.3,-.63,;-3.16,.91,;1.91,-.82,;3.24,-.05,;4.58,.72,;3.24,1.49,;6.06,.32,;6.46,1.81,;4.97,2.21,)|
Show InChI InChI=1S/C20H18FN3O2/c21-16-9-14-12-6-13(7-12)24-10-17(18(22)25)23-19(24)15(14)8-11(16)2-5-20(26)3-1-4-20/h8-10,12-13,26H,1,3-4,6-7H2,(H2,22,25)
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0.530n/an/an/an/an/an/a7.2n/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 monitored u...


US Patent US9034866 (2015)


BindingDB Entry DOI: 10.7270/Q2GX49B0
More data for this
Ligand-Target Pair
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