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Compile Data Set for Download or QSAR

Found 2297 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase 1'   
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
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM50457307
PNG
(CHEMBL4206684)
Show SMILES [2H]C([2H])(O)c1ccc(C)c(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)c1
Show InChI InChI=1S/C23H23N5O2/c1-14-3-4-15(11-29)7-20(14)28-22-25-6-5-19(27-22)16-8-17(10-24)21-18(9-16)23(2,13-30)12-26-21/h3-9,26,29-30H,11-13H2,1-2H3,(H,25,27,28)/t23-/m1/s1/i11D2
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n/an/a 0.800n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged MAP3K14 autophosphorylation after 1 hr by Alpha screen assay


ACS Med Chem Lett 8: 908-910 (2017)

More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM50457304
PNG
(CHEMBL4211563)
Show SMILES Cc1ccc(cc1Nc1ncc(F)c(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N)C#N
Show InChI InChI=1S/C23H19FN6O/c1-13-3-4-14(8-25)5-19(13)29-22-27-10-18(24)21(30-22)15-6-16(9-26)20-17(7-15)23(2,12-31)11-28-20/h3-7,10,28,31H,11-12H2,1-2H3,(H,27,29,30)/t23-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of MAP3K14 in human L363 assessed as decrease in IKKalpha phosphorylation level after 2 hrs by sandwich immuno assay


ACS Med Chem Lett 8: 908-910 (2017)

More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM50457313
PNG
(CHEMBL4218937)
Show SMILES C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cc(ccc2CO)C#N)n1
Show InChI InChI=1S/C23H20N6O2/c1-23(13-31)12-27-21-17(10-25)7-16(8-18(21)23)19-4-5-26-22(28-19)29-20-6-14(9-24)2-3-15(20)11-30/h2-8,27,30-31H,11-13H2,1H3,(H,26,28,29)/t23-/m1/s1
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged MAP3K14 autophosphorylation after 1 hr by Alpha screen assay


ACS Med Chem Lett 8: 908-910 (2017)

More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM50457311
PNG
(CHEMBL4216964)
Show SMILES Cc1cc(CCN2CCOCC2)c(cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N)C#N
Show InChI InChI=1S/C29H31N7O2/c1-19-11-20(4-6-36-7-9-38-10-8-36)22(15-30)14-26(19)35-28-32-5-3-25(34-28)21-12-23(16-31)27-24(13-21)29(2,18-37)17-33-27/h3,5,11-14,33,37H,4,6-10,17-18H2,1-2H3,(H,32,34,35)/t29-/m1/s1
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of MAP3K14 in human L363 assessed as decrease in IKKalpha phosphorylation level after 2 hrs by sandwich immuno assay


ACS Med Chem Lett 8: 908-910 (2017)

More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM50457306
PNG
(CHEMBL4202865)
Show SMILES CC(C)Oc1ccc(CO)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N
Show InChI InChI=1S/C25H27N5O3/c1-15(2)33-22-5-4-16(12-31)8-21(22)30-24-27-7-6-20(29-24)17-9-18(11-26)23-19(10-17)25(3,14-32)13-28-23/h4-10,15,28,31-32H,12-14H2,1-3H3,(H,27,29,30)/t25-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged MAP3K14 autophosphorylation after 1 hr by Alpha screen assay


ACS Med Chem Lett 8: 908-910 (2017)

More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM50457308
PNG
(CHEMBL4216017)
Show SMILES Cc1cc(F)c(cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N)C#N
Show InChI InChI=1S/C23H19FN6O/c1-13-5-18(24)15(9-25)8-20(13)30-22-27-4-3-19(29-22)14-6-16(10-26)21-17(7-14)23(2,12-31)11-28-21/h3-8,28,31H,11-12H2,1-2H3,(H,27,29,30)/t23-/m1/s1
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged MAP3K14 autophosphorylation after 1 hr by Alpha screen assay


ACS Med Chem Lett 8: 908-910 (2017)

More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM50457311
PNG
(CHEMBL4216964)
Show SMILES Cc1cc(CCN2CCOCC2)c(cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N)C#N
Show InChI InChI=1S/C29H31N7O2/c1-19-11-20(4-6-36-7-9-38-10-8-36)22(15-30)14-26(19)35-28-32-5-3-25(34-28)21-12-23(16-31)27-24(13-21)29(2,18-37)17-33-27/h3,5,11-14,33,37H,4,6-10,17-18H2,1-2H3,(H,32,34,35)/t29-/m1/s1
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged MAP3K14 autophosphorylation after 1 hr by Alpha screen assay


ACS Med Chem Lett 8: 908-910 (2017)

More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM50457310
PNG
(CHEMBL4218285)
Show SMILES CNC(=O)c1ccc(C)c(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)c1
Show InChI InChI=1S/C24H24N6O2/c1-14-4-5-15(22(32)26-3)10-20(14)30-23-27-7-6-19(29-23)16-8-17(11-25)21-18(9-16)24(2,13-31)12-28-21/h4-10,28,31H,12-13H2,1-3H3,(H,26,32)(H,27,29,30)/t24-/m1/s1
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged MAP3K14 autophosphorylation after 1 hr by Alpha screen assay


ACS Med Chem Lett 8: 908-910 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 10


(Homo sapiens (Human))
BDBM24942
PNG
(CEP-1347 | CHEMBL290352 | methyl (15S,16R,18R)-10,...)
Show SMILES CCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45
Show InChI InChI=1/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24-,32+,33+/s2
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Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of MLK2 (unknown origin) after 20 mins in presence of [33P]-ATP


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM50457307
PNG
(CHEMBL4206684)
Show SMILES [2H]C([2H])(O)c1ccc(C)c(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)c1
Show InChI InChI=1S/C23H23N5O2/c1-14-3-4-15(11-29)7-20(14)28-22-25-6-5-19(27-22)16-8-17(10-24)21-18(9-16)23(2,13-30)12-26-21/h3-9,26,29-30H,11-13H2,1-2H3,(H,25,27,28)/t23-/m1/s1/i11D2
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n/an/a 2.20n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of MAP3K14 in human L363 assessed as decrease in IKKalpha phosphorylation level after 2 hrs by sandwich immuno assay


ACS Med Chem Lett 8: 908-910 (2017)

More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM50457310
PNG
(CHEMBL4218285)
Show SMILES CNC(=O)c1ccc(C)c(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)c1
Show InChI InChI=1S/C24H24N6O2/c1-14-4-5-15(22(32)26-3)10-20(14)30-23-27-7-6-19(29-23)16-8-17(11-25)21-18(9-16)24(2,13-31)12-28-21/h4-10,28,31H,12-13H2,1-3H3,(H,26,32)(H,27,29,30)/t24-/m1/s1
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of MAP3K14 in human L363 assessed as decrease in IKKalpha phosphorylation level after 2 hrs by sandwich immuno assay


ACS Med Chem Lett 8: 908-910 (2017)

More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM50457303
PNG
(CHEMBL4207209)
Show SMILES Cc1cc(F)c(CO)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N
Show InChI InChI=1S/C23H22FN5O2/c1-13-5-18(24)16(10-30)8-20(13)29-22-26-4-3-19(28-22)14-6-15(9-25)21-17(7-14)23(2,12-31)11-27-21/h3-8,27,30-31H,10-12H2,1-2H3,(H,26,28,29)/t23-/m1/s1
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged MAP3K14 autophosphorylation after 1 hr by Alpha screen assay


ACS Med Chem Lett 8: 908-910 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM356235
PNG
(BDBM50441572 | US9814704, Example 36)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
Show InChI InChI=1S/C24H21N3O3/c1-28-21-10-16(11-22(29-2)23(21)30-3)17-9-18-19(13-27-24(18)26-12-17)14-4-5-20-15(8-14)6-7-25-20/h4-13,25H,1-3H3,(H,26,27)
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n/an/a 3n/an/an/an/an/an/a



Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of MLK3 (unknown origin) after 20 mins by scintillation counting analysis in presence of [33P]-ATP


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM50457304
PNG
(CHEMBL4211563)
Show SMILES Cc1ccc(cc1Nc1ncc(F)c(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N)C#N
Show InChI InChI=1S/C23H19FN6O/c1-13-3-4-14(8-25)5-19(13)29-22-27-10-18(24)21(30-22)15-6-16(9-26)20-17(7-15)23(2,12-31)11-28-20/h3-7,10,28,31H,11-12H2,1-2H3,(H,27,29,30)/t23-/m1/s1
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n/an/a 3.90n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged MAP3K14 autophosphorylation after 1 hr by Alpha screen assay


ACS Med Chem Lett 8: 908-910 (2017)

More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM50457312
PNG
(CHEMBL4211057)
Show SMILES CC(C)(O)COc1ccc(cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N)C#N
Show InChI InChI=1S/C26H26N6O3/c1-25(2,34)15-35-22-5-4-16(11-27)8-21(22)32-24-29-7-6-20(31-24)17-9-18(12-28)23-19(10-17)26(3,14-33)13-30-23/h4-10,30,33-34H,13-15H2,1-3H3,(H,29,31,32)/t26-/m1/s1
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n/an/a 4.10n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged MAP3K14 autophosphorylation after 1 hr by Alpha screen assay


ACS Med Chem Lett 8: 908-910 (2017)

More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM50457314
PNG
(CHEMBL4211990)
Show SMILES CN1CC(F)C(C1)Oc1ccc(cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N)C#N
Show InChI InChI=1S/C27H26FN7O2/c1-27(15-36)14-32-25-18(11-30)8-17(9-19(25)27)21-5-6-31-26(33-21)34-22-7-16(10-29)3-4-23(22)37-24-13-35(2)12-20(24)28/h3-9,20,24,32,36H,12-15H2,1-2H3,(H,31,33,34)/t20?,24?,27-/m1/s1
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged MAP3K14 autophosphorylation after 1 hr by Alpha screen assay


ACS Med Chem Lett 8: 908-910 (2017)

More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM312809
PNG
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES COc1ccc2c(nc(C(N)=O)n2c1)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O
Show InChI InChI=1/C22H20N4O4/c1-25-11-10-22(29,21(25)28)9-8-14-4-3-5-15(12-14)18-17-7-6-16(30-2)13-26(17)20(24-18)19(23)27/h3-7,12-13,29H,10-11H2,1-2H3,(H2,23,27)/t22-/s2
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of NIK (unknown origin) expressed in HEK293 cells harboring NFkB-Luc assessed as reduction in NFkB signal after 24 hrs by luciferase repor...


J Med Chem 61: 6801-6813 (2018)

More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM50457305
PNG
(CHEMBL4214523)
Show SMILES CNC(=O)c1ccc(OC(C)C)c(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)c1
Show InChI InChI=1S/C26H28N6O3/c1-15(2)35-22-6-5-16(24(34)28-4)11-21(22)32-25-29-8-7-20(31-25)17-9-18(12-27)23-19(10-17)26(3,14-33)13-30-23/h5-11,15,30,33H,13-14H2,1-4H3,(H,28,34)(H,29,31,32)/t26-/m1/s1
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged MAP3K14 autophosphorylation after 1 hr by Alpha screen assay


ACS Med Chem Lett 8: 908-910 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM24942
PNG
(CEP-1347 | CHEMBL290352 | methyl (15S,16R,18R)-10,...)
Show SMILES CCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45
Show InChI InChI=1/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24-,32+,33+/s2
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n/an/a 6n/an/an/an/an/an/a



Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of MLK3 (unknown origin) after 20 mins in presence of [33P]-ATP


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM50457308
PNG
(CHEMBL4216017)
Show SMILES Cc1cc(F)c(cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N)C#N
Show InChI InChI=1S/C23H19FN6O/c1-13-5-18(24)15(9-25)8-20(13)30-22-27-4-3-19(29-22)14-6-16(10-26)21-17(7-14)23(2,12-31)11-28-21/h3-8,28,31H,11-12H2,1-2H3,(H,27,29,30)/t23-/m1/s1
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of MAP3K14 in human L363 assessed as decrease in IKKalpha phosphorylation level after 2 hrs by sandwich immuno assay


ACS Med Chem Lett 8: 908-910 (2017)

More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM50457313
PNG
(CHEMBL4218937)
Show SMILES C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cc(ccc2CO)C#N)n1
Show InChI InChI=1S/C23H20N6O2/c1-23(13-31)12-27-21-17(10-25)7-16(8-18(21)23)19-4-5-26-22(28-19)29-20-6-14(9-24)2-3-15(20)11-30/h2-8,27,30-31H,11-13H2,1H3,(H,26,28,29)/t23-/m1/s1
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n/an/a 6.30n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of MAP3K14 in human L363 assessed as decrease in IKKalpha phosphorylation level after 2 hrs by sandwich immuno assay


ACS Med Chem Lett 8: 908-910 (2017)

More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM50457306
PNG
(CHEMBL4202865)
Show SMILES CC(C)Oc1ccc(CO)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N
Show InChI InChI=1S/C25H27N5O3/c1-15(2)33-22-5-4-16(12-31)8-21(22)30-24-27-7-6-20(29-24)17-9-18(11-26)23-19(10-17)25(3,14-32)13-28-23/h4-10,15,28,31-32H,12-14H2,1-3H3,(H,27,29,30)/t25-/m1/s1
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n/an/a 6.60n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of MAP3K14 in human L363 assessed as decrease in IKKalpha phosphorylation level after 2 hrs by sandwich immuno assay


ACS Med Chem Lett 8: 908-910 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50441571
PNG
(CHEMBL2436982 | US9814704, Example 18)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc(N)nc3)c2c1
Show InChI InChI=1S/C21H20N4O3/c1-26-17-7-13(8-18(27-2)20(17)28-3)14-6-15-16(11-25-21(15)24-10-14)12-4-5-19(22)23-9-12/h4-11H,1-3H3,(H2,22,23)(H,24,25)
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n/an/a 7n/an/an/an/an/an/a



Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of MLK3 (unknown origin) after 20 mins by scintillation counting analysis in presence of [33P]-ATP


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50458548
PNG
(CHEMBL4218417)
Show SMILES CC(C)OCc1ccc2n(CCO)c3c4[nH]c5ccccc5c4c4CNC(=O)c4c3c2c1
Show InChI InChI=1S/C26H25N3O3/c1-14(2)32-13-15-7-8-20-17(11-15)22-23-18(12-27-26(23)31)21-16-5-3-4-6-19(16)28-24(21)25(22)29(20)9-10-30/h3-8,11,14,28,30H,9-10,12-13H2,1-2H3,(H,27,31)
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n/an/a 7n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full length human MLK3 KD expressed in baculovirus using myelin basic protein as substrate preincubated for 15 m...


J Med Chem 61: 8078-8087 (2018)

More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM50457309
PNG
(CHEMBL4212714)
Show SMILES C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cc(ccc2OC2CC2)C#N)n1
Show InChI InChI=1S/C25H22N6O2/c1-25(14-32)13-29-23-17(12-27)9-16(10-19(23)25)20-6-7-28-24(30-20)31-21-8-15(11-26)2-5-22(21)33-18-3-4-18/h2,5-10,18,29,32H,3-4,13-14H2,1H3,(H,28,30,31)/t25-/m1/s1
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged MAP3K14 autophosphorylation after 1 hr by Alpha screen assay


ACS Med Chem Lett 8: 908-910 (2017)

More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM50457303
PNG
(CHEMBL4207209)
Show SMILES Cc1cc(F)c(CO)cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N
Show InChI InChI=1S/C23H22FN5O2/c1-13-5-18(24)16(10-30)8-20(13)29-22-26-4-3-19(28-22)14-6-15(9-25)21-17(7-14)23(2,12-31)11-27-21/h3-8,27,30-31H,10-12H2,1-2H3,(H,26,28,29)/t23-/m1/s1
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of MAP3K14 in human L363 assessed as decrease in IKKalpha phosphorylation level after 2 hrs by sandwich immuno assay


ACS Med Chem Lett 8: 908-910 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1


(Homo sapiens (Human))
BDBM28123
PNG
(3-cyanoquinoline, 8 | 4-({3-chloro-4-[(1-methyl-1H...)
Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C28H29ClN6O3S/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)38-11-3-7-35-9-12-37-13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(H,32,33)
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n/an/a 8n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MEK-1 Kinase phosphorylation in LoVo cells


Bioorg Med Chem Lett 13: 3031-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00640-1
BindingDB Entry DOI: 10.7270/Q2P84B8T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50441570
PNG
(CHEMBL2436976 | US9814704, Example 17)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3cnc(N)nc3)c2c1
Show InChI InChI=1S/C20H19N5O3/c1-26-16-5-11(6-17(27-2)18(16)28-3)12-4-14-15(10-23-19(14)22-7-12)13-8-24-20(21)25-9-13/h4-10H,1-3H3,(H,22,23)(H2,21,24,25)
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n/an/a 9n/an/an/an/an/an/a



Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of MLK3 (unknown origin) after 20 mins by scintillation counting analysis in presence of [33P]-ATP


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM50457816
PNG
(CHEMBL4215425)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc3ccccc3c(n2)C(N)=O)C1=O
Show InChI InChI=1S/C23H19N3O3/c1-26-12-11-23(29,22(26)28)10-9-15-5-4-7-17(13-15)19-14-16-6-2-3-8-18(16)20(25-19)21(24)27/h2-8,13-14,29H,11-12H2,1H3,(H2,24,27)/t23-/m0/s1
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of NIK (unknown origin) expressed in HEK293 cells harboring NFkB-Luc assessed as reduction in NFkB signal after 24 hrs by luciferase repor...


J Med Chem 61: 6801-6813 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50108293
PNG
(CHEMBL277817 | Indolocarbazole analogue)
Show SMILES CCOCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(COCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45
Show InChI InChI=1S/C33H33N3O7/c1-5-41-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-42-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)43-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24-,32+,33+/m1/s1
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Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Mixed lineage kinase 3 (MLK3)


Bioorg Med Chem Lett 12: 147-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00690-4
BindingDB Entry DOI: 10.7270/Q2571B94
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50108295
PNG
(CHEMBL288817 | Indolocarbazole analogue)
Show SMILES COCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(COC)cc5c5c6CNC(=O)c6c(c2c1)c3c45
Show InChI InChI=1S/C31H29N3O7/c1-30-31(37,29(36)40-4)11-22(41-30)33-20-7-5-15(13-38-2)9-17(20)24-25-19(12-32-28(25)35)23-18-10-16(14-39-3)6-8-21(18)34(30)27(23)26(24)33/h5-10,22,37H,11-14H2,1-4H3,(H,32,35)/t22-,30+,31+/m1/s1
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Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Mixed lineage kinase 3 (MLK3)


Bioorg Med Chem Lett 12: 147-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00690-4
BindingDB Entry DOI: 10.7270/Q2571B94
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50108296
PNG
(CHEMBL289772 | Indolocarbazole analogue)
Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CO)cc3c3c4CNC(=O)c4c4c5cc(CO)ccc5n2c4c13
Show InChI InChI=1S/C29H25N3O7/c1-28-29(37,27(36)38-2)9-20(39-28)31-18-5-3-13(11-33)7-15(18)22-23-17(10-30-26(23)35)21-16-8-14(12-34)4-6-19(16)32(28)25(21)24(22)31/h3-8,20,33-34,37H,9-12H2,1-2H3,(H,30,35)/t20-,28+,29+/m1/s1
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Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Mixed lineage kinase 3 (MLK3)


Bioorg Med Chem Lett 12: 147-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00690-4
BindingDB Entry DOI: 10.7270/Q2571B94
More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM50457309
PNG
(CHEMBL4212714)
Show SMILES C[C@]1(CO)CNc2c1cc(cc2C#N)-c1ccnc(Nc2cc(ccc2OC2CC2)C#N)n1
Show InChI InChI=1S/C25H22N6O2/c1-25(14-32)13-29-23-17(12-27)9-16(10-19(23)25)20-6-7-28-24(30-20)31-21-8-15(11-26)2-5-22(21)33-18-3-4-18/h2,5-10,18,29,32H,3-4,13-14H2,1H3,(H,28,30,31)/t25-/m1/s1
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of MAP3K14 in human L363 assessed as decrease in IKKalpha phosphorylation level after 2 hrs by sandwich immuno assay


ACS Med Chem Lett 8: 908-910 (2017)

More data for this
Ligand-Target Pair
Mixed Lineage Kinase 3 (MLK3)


(Homo sapiens (Human))
BDBM14186
PNG
(12,13-Dihydro-6H,14H-naphthyl[3,4-a]pyrrolo[3,4-c]...)
Show SMILES O=C1NC(=O)c2c1c-1c(CCc3ccccc-13)c1[nH]c3ccccc3c21
Show InChI InChI=1S/C22H14N2O2/c25-21-18-16-12-6-2-1-5-11(12)9-10-14(16)20-17(19(18)22(26)24-21)13-7-3-4-8-15(13)23-20/h1-8,23H,9-10H2,(H,24,25,26)
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Cephalon



Assay Description
The MLK1, MLK2, and MLK3 assays were performed using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. IC50 values were calculate...


J Med Chem 50: 433-41 (2007)


Article DOI: 10.1021/jm051074u
BindingDB Entry DOI: 10.7270/Q2HT2MJX
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 3 (MLK3)


(Homo sapiens (Human))
BDBM6760
PNG
((+)-K-252a | CHEMBL281948 | K-252a | methyl (15S,1...)
Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18-,26+,27+/s2
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n/an/a 13n/an/an/an/an/an/a



Cephalon



Assay Description
The MLK1, MLK2, and MLK3 assays were performed using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. IC50 values were calculate...


J Med Chem 50: 433-41 (2007)


Article DOI: 10.1021/jm051074u
BindingDB Entry DOI: 10.7270/Q2HT2MJX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50441567
PNG
(CHEMBL2436978)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30)
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Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of MLK3 (unknown origin) after 20 mins by scintillation counting analysis in presence of [33P]-ATP


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(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=1/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-/s2
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n/an/a 15n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of NIK (unknown origin) expressed in HEK293 cells harboring NFkB-Luc assessed as reduction in NFkB signal after 24 hrs by luciferase repor...


J Med Chem 61: 6801-6813 (2018)

More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM50457820
PNG
(CHEMBL4216289)
Show SMILES CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccc(N)c(n2)C(N)=O)C1=O
Show InChI InChI=1S/C19H18N4O3/c1-23-10-9-19(26,18(23)25)8-7-12-3-2-4-13(11-12)15-6-5-14(20)16(22-15)17(21)24/h2-6,11,26H,9-10,20H2,1H3,(H2,21,24)/t19-/m0/s1
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of NIK (unknown origin) expressed in HEK293 cells harboring NFkB-Luc assessed as reduction in NFkB signal after 24 hrs by luciferase repor...


J Med Chem 61: 6801-6813 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 10


(Homo sapiens (Human))
BDBM50108295
PNG
(CHEMBL288817 | Indolocarbazole analogue)
Show SMILES COCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(COC)cc5c5c6CNC(=O)c6c(c2c1)c3c45
Show InChI InChI=1S/C31H29N3O7/c1-30-31(37,29(36)40-4)11-22(41-30)33-20-7-5-15(13-38-2)9-17(20)24-25-19(12-32-28(25)35)23-18-10-16(14-39-3)6-8-21(18)34(30)27(23)26(24)33/h5-10,22,37H,11-14H2,1-4H3,(H,32,35)/t22-,30+,31+/m1/s1
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Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Mixed lineage kinase 2(MLK2)


Bioorg Med Chem Lett 12: 147-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00690-4
BindingDB Entry DOI: 10.7270/Q2571B94
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50441569
PNG
(CHEMBL2436981 | US9814704, Example 4)
Show SMILES Nc1ccc(cn1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
Show InChI InChI=1S/C20H15N5/c21-19-4-2-14(9-23-19)15-8-16-17(11-25-20(16)24-10-15)12-1-3-18-13(7-12)5-6-22-18/h1-11,22H,(H2,21,23)(H,24,25)
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n/an/a 19n/an/an/an/an/an/a



Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of MLK3 (unknown origin) after 20 mins by scintillation counting analysis in presence of [33P]-ATP


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 10


(Homo sapiens (Human))
BDBM50108293
PNG
(CHEMBL277817 | Indolocarbazole analogue)
Show SMILES CCOCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(COCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45
Show InChI InChI=1S/C33H33N3O7/c1-5-41-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-42-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)43-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24-,32+,33+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Mixed lineage kinase 2(MLK2)


Bioorg Med Chem Lett 12: 147-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00690-4
BindingDB Entry DOI: 10.7270/Q2571B94
More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM50429614
PNG
(CHEMBL2334589)
Show SMILES COCCOc1cnc(N)nc1-c1c[nH]c2ccc(cc12)C#CC(C)(C)O
Show InChI InChI=1S/C20H22N4O3/c1-20(2,25)7-6-13-4-5-16-14(10-13)15(11-22-16)18-17(27-9-8-26-3)12-23-19(21)24-18/h4-5,10-12,22,25H,8-9H2,1-3H3,(H2,21,23,24)
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n/an/a 20n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of NIK in human HT-29 cells assessed as LTalpha/beta2-induced p100 processing to NFkappaB2 preincubated for 30 mins before LTalpha/beta2 s...


Bioorg Med Chem Lett 23: 1238-44 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.012
BindingDB Entry DOI: 10.7270/Q2J967RQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50058332
PNG
(CHEMBL299496 | methyl 10,23-di(ethylsulfanylmethyl...)
Show SMILES CCSCc1ccc2n3C4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45
Show InChI InChI=1S/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24?,32-,33-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



PAK Research Center

Curated by ChEMBL


Assay Description
Inhibition of flag-tagged MLK3 (unknown origin) expressed in human HeLa cells assessed as reduction in enzyme autophosphorylation incubated for 20 mi...


Eur J Med Chem 142: 229-243 (2017)

More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM50457305
PNG
(CHEMBL4214523)
Show SMILES CNC(=O)c1ccc(OC(C)C)c(Nc2nccc(n2)-c2cc3c(NC[C@]3(C)CO)c(c2)C#N)c1
Show InChI InChI=1S/C26H28N6O3/c1-15(2)35-22-6-5-16(24(34)28-4)11-21(22)32-25-29-8-7-20(31-25)17-9-18(12-27)23-19(10-17)26(3,14-33)13-30-23/h5-11,15,30,33H,13-14H2,1-4H3,(H,28,34)(H,29,31,32)/t26-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of MAP3K14 in human L363 assessed as decrease in IKKalpha phosphorylation level after 2 hrs by sandwich immuno assay


ACS Med Chem Lett 8: 908-910 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50108299
PNG
(CHEMBL288229 | Indolocarbazole analogue)
Show SMILES CCSCc1ccc2n3c4c(c5CNC(=O)c5c5c6ccccc6n([C@H]6C[C@](O)(C(=O)OC)[C@]3(C)O6)c45)c2c1
Show InChI InChI=1S/C30H27N3O5S/c1-4-39-14-15-9-10-20-17(11-15)22-18-13-31-27(34)24(18)23-16-7-5-6-8-19(16)32-21-12-30(36,28(35)37-3)29(2,38-21)33(20)26(22)25(23)32/h5-11,21,36H,4,12-14H2,1-3H3,(H,31,34)/t21-,29+,30+/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Mixed lineage kinase 3 (MLK3)


Bioorg Med Chem Lett 12: 147-50 (2001)


Article DOI: 10.1016/s0960-894x(01)00690-4
BindingDB Entry DOI: 10.7270/Q2571B94
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50441566
PNG
(CHEMBL2436977)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4cnc5[nH]ccc5c4)c3c2)CC1
Show InChI InChI=1S/C26H26N6/c1-31-8-10-32(11-9-31)17-18-2-4-19(5-3-18)21-13-23-24(16-30-26(23)29-14-21)22-12-20-6-7-27-25(20)28-15-22/h2-7,12-16H,8-11,17H2,1H3,(H,27,28)(H,29,30)
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n/an/a 21n/an/an/an/an/an/a



Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of MLK3 (unknown origin) after 20 mins by scintillation counting analysis in presence of [33P]-ATP


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM50457314
PNG
(CHEMBL4211990)
Show SMILES CN1CC(F)C(C1)Oc1ccc(cc1Nc1nccc(n1)-c1cc2c(NC[C@]2(C)CO)c(c1)C#N)C#N
Show InChI InChI=1S/C27H26FN7O2/c1-27(15-36)14-32-25-18(11-30)8-17(9-19(25)27)21-5-6-31-26(33-21)34-22-7-16(10-29)3-4-23(22)37-24-13-35(2)12-20(24)28/h3-9,20,24,32,36H,12-15H2,1-2H3,(H,31,33,34)/t20?,24?,27-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of MAP3K14 in human L363 assessed as decrease in IKKalpha phosphorylation level after 2 hrs by sandwich immuno assay


ACS Med Chem Lett 8: 908-910 (2017)

More data for this
Ligand-Target Pair
NF-kappa-beta-inducing kinase (NF-kB)


(Homo sapiens (Human))
BDBM312785
PNG
(1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin...)
Show SMILES COc1cnc2n(nc(C(N)=O)c2c1)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O
Show InChI InChI=1/C21H19N5O4/c1-25-9-8-21(29,20(25)28)7-6-13-4-3-5-14(10-13)26-19-16(17(24-26)18(22)27)11-15(30-2)12-23-19/h3-5,10-12,29H,8-9H2,1-2H3,(H2,22,27)/t21-/s2
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n/an/a 21n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of NIK (unknown origin) expressed in HEK293 cells harboring NFkB-Luc assessed as reduction in NFkB signal after 24 hrs by luciferase repor...


J Med Chem 61: 6801-6813 (2018)

More data for this
Ligand-Target Pair
Mixed Lineage Kinase 3 (MLK3)


(Homo sapiens (Human))
BDBM14174
PNG
(12,13-Dihydro-5H,6H,14H-naphthy[3,4-a]pyrrolo[3,4-...)
Show SMILES O=C1NCc2c1c1c([nH]c3ccccc13)c1CCc3ccccc3-c21
Show InChI InChI=1S/C22H16N2O/c25-22-20-16(11-23-22)18-13-6-2-1-5-12(13)9-10-15(18)21-19(20)14-7-3-4-8-17(14)24-21/h1-8,24H,9-11H2,(H,23,25)
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n/an/a 22n/an/an/an/an/an/a



Cephalon



Assay Description
The MLK1, MLK2, and MLK3 assays were performed using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. IC50 values were calculate...


J Med Chem 50: 433-41 (2007)


Article DOI: 10.1021/jm051074u
BindingDB Entry DOI: 10.7270/Q2HT2MJX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM24942
PNG
(CEP-1347 | CHEMBL290352 | methyl (15S,16R,18R)-10,...)
Show SMILES CCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45
Show InChI InChI=1/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24-,32+,33+/s2
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n/an/a 23n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full length human MLK3 KD expressed in baculovirus using myelin basic protein as substrate preincubated for 15 m...


J Med Chem 61: 8078-8087 (2018)

More data for this
Ligand-Target Pair
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