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Found 203 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase 9' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 9 (MLK1)


(Homo sapiens (Human))
BDBM50224883
PNG
(7-chloro-3-oxo-8-[(thiazol-5-ylmethyl)-amino]-11,1...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Show InChI InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29)
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>1.67E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MLK1


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(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-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Kyowa-Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Mixed lineage kinase 1 (MLK1)


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

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(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-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Kyowa-Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Mixed lineage kinase 1 (MLK1)


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

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(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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n/an/a 19n/an/an/an/an/an/a



Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of MLK1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(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-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Kyowa-Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Mixed lineage kinase 1 (MLK1)


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

More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(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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n/an/a 22n/an/an/an/a7.237



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...


Citation and Details
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(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=1S/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-/m0/s1
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n/an/a 22n/an/an/an/a7.237



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...


Citation and Details
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM24949
PNG
(3-(2-hydroxyethyl)-20-(propan-2-yloxy)-3,13-diazah...)
Show SMILES CC(C)Oc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCO)c32)c1
Show InChI InChI=1S/C27H26N2O3/c1-15(2)32-17-8-10-18-16(13-17)7-9-20-23(18)25-21(14-28-27(25)31)24-19-5-3-4-6-22(19)29(11-12-30)26(20)24/h3-6,8,10,13,15,30H,7,9,11-12,14H2,1-2H3,(H,28,31)
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n/an/a 26n/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(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-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Kyowa-Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Mixed lineage kinase 1 (MLK1)


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

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(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=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+/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Kyowa-Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Mixed lineage kinase 1 (MLK1)


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

More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(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=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+/m1/s1
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n/an/a 38n/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(Homo sapiens (Human))
BDBM50108291
PNG
(CHEMBL36891 | Indolocarbazole analogue)
Show SMILES CCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccccc5c5c6CNC(=O)c6c(c2c1)c3c45
Show InChI InChI=1S/C30H27N3O5S/c1-4-39-14-15-9-10-19-17(11-15)23-24-18(13-31-27(24)34)22-16-7-5-6-8-20(16)33-26(22)25(23)32(19)21-12-30(36,28(35)37-3)29(33,2)38-21/h5-11,21,36H,4,12-14H2,1-3H3,(H,31,34)/t21?,29-,30-/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Kyowa-Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Mixed lineage kinase 1 (MLK1)


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

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(Homo sapiens (Human))
BDBM50392791
PNG
(CHEMBL2151321 | US8486966, 1)
Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12
Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
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n/an/a 44.3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MLK1


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(Homo sapiens (Human))
BDBM50108297
PNG
(CHEMBL288816 | Indolocarbazole analogue)
Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CSC(C)C)cc3c3c4CNC(=O)c4c4c5cc(CSC(C)C)ccc5n2c4c13
Show InChI InChI=1S/C35H37N3O5S2/c1-17(2)44-15-19-7-9-24-21(11-19)28-29-23(14-36-32(29)39)27-22-12-20(16-45-18(3)4)8-10-25(22)38-31(27)30(28)37(24)26-13-35(41,33(40)42-6)34(38,5)43-26/h7-12,17-18,26,41H,13-16H2,1-6H3,(H,36,39)/t26?,34-,35-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Kyowa-Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Mixed lineage kinase 1 (MLK1)


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

More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(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 46n/an/an/an/a7.237



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...


Citation and Details
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM24952
PNG
(20-(cyclopentyloxy)-3-(2-hydroxyethyl)-3,13-diazah...)
Show SMILES OCCn1c2ccccc2c2c3CNC(=O)c3c-3c(CCc4cc(OC5CCCC5)ccc-34)c12
Show InChI InChI=1S/C29H28N2O3/c32-14-13-31-24-8-4-3-7-21(24)26-23-16-30-29(33)27(23)25-20-12-10-19(34-18-5-1-2-6-18)15-17(20)9-11-22(25)28(26)31/h3-4,7-8,10,12,15,18,32H,1-2,5-6,9,11,13-14,16H2,(H,30,33)
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n/an/a 49n/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(Homo sapiens (Human))
BDBM50095952
PNG
(CHEMBL3593777)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(C[C@@H]1F)c1ccc(cn1)C#N
Show InChI InChI=1S/C15H23N5O5/c1-2-4-24-5-3-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)25-15/h7-8,11-12,15,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,11+,12+,15?/m1/s1
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n/an/a 51n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of MLK1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(Homo sapiens (Human))
BDBM50400047
PNG
(BIIB-057 | CHEMBL2177736)
Show SMILES N[C@H]1CCCC[C@H]1Nc1ncc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1
Show InChI InChI=1S/C19H23N9O/c20-15-6-1-2-7-16(15)26-19-22-11-14(17(21)29)18(27-19)25-12-4-3-5-13(10-12)28-23-8-9-24-28/h3-5,8-11,15-16H,1-2,6-7,20H2,(H2,21,29)(H2,22,25,26,27)/t15-,16+/m0/s1
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US Patent
n/an/a 60n/an/an/an/an/an/a



Portola Pharmaceuticals, Inc.

US Patent


Assay Description
Employing the Milipore panel of purified kinases EXAMPLE 87 (IC50=1 nM) inhibited 98% of purified Syk kinase activity at 50 nM. IC50 values were dete...


US Patent US8952027 (2015)

More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM24944
PNG
(20-(propan-2-yloxy)-3,13-diazahexacyclo[14.8.0.0^{...)
Show SMILES CC(C)Oc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4[nH]c32)c1
Show InChI InChI=1S/C25H22N2O2/c1-13(2)29-15-8-10-16-14(11-15)7-9-18-21(16)23-19(12-26-25(23)28)22-17-5-3-4-6-20(17)27-24(18)22/h3-6,8,10-11,13,27H,7,9,12H2,1-2H3,(H,26,28)
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n/an/a 66n/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


Citation and Details
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM14188
PNG
(3-thia-13,23-diazahexacyclo[14.7.0.0^{2,10}.0^{4,9...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1sc3ccccc3c21
Show InChI InChI=1S/C20H10N2O2S/c23-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(24)22-19)10-6-2-4-8-12(10)25-18/h1-8,21H,(H,22,23,24)
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n/an/a 68n/an/an/an/a7.237



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...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(Homo sapiens (Human))
BDBM50059190
PNG
(CHEMBL3393333)
Show SMILES FC1(F)CCN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1
Show InChI InChI=1S/C23H26F2N6O/c24-23(25)4-8-31(15-23)22-11-18(17-2-6-30(7-3-17)19-13-32-14-19)10-21(29-22)28-20-9-16(12-26)1-5-27-20/h1,5,9-11,17,19H,2-4,6-8,13-15H2,(H,27,28,29)
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n/an/a 68n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of MLK1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM14177
PNG
(3,13-diazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,...)
Show SMILES O=C1NCc2c1c-1c(Cc3ccccc-13)c1[nH]c3ccccc3c21
Show InChI InChI=1S/C21H14N2O/c24-21-19-15(10-22-21)18-13-7-3-4-8-16(13)23-20(18)14-9-11-5-1-2-6-12(11)17(14)19/h1-8,23H,9-10H2,(H,22,24)
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n/an/a 69n/an/an/an/a7.237



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...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(Homo sapiens (Human))
BDBM50108292
PNG
(CHEMBL37529 | Indolocarbazole analogue)
Show SMILES CCCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45
Show InChI InChI=1S/C35H37N3O5S2/c1-5-11-44-17-19-7-9-24-21(13-19)28-29-23(16-36-32(29)39)27-22-14-20(18-45-12-6-2)8-10-25(22)38-31(27)30(28)37(24)26-15-35(41,33(40)42-4)34(38,3)43-26/h7-10,13-14,26,41H,5-6,11-12,15-18H2,1-4H3,(H,36,39)/t26?,34-,35-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Kyowa-Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Mixed lineage kinase 1 (MLK1)


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

More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM24948
PNG
(3-(3-hydroxypropyl)-20-methoxy-3,13-diazahexacyclo...)
Show SMILES COc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCCO)c32)c1
Show InChI InChI=1S/C26H24N2O3/c1-31-16-8-10-17-15(13-16)7-9-19-22(17)24-20(14-27-26(24)30)23-18-5-2-3-6-21(18)28(25(19)23)11-4-12-29/h2-3,5-6,8,10,13,29H,4,7,9,11-12,14H2,1H3,(H,27,30)
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n/an/a 101n/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


Citation and Details
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM24947
PNG
(3-(2-hydroxyethyl)-20-methoxy-3,13-diazahexacyclo[...)
Show SMILES COc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCO)c32)c1
Show InChI InChI=1S/C25H22N2O3/c1-30-15-7-9-16-14(12-15)6-8-18-21(16)23-19(13-26-25(23)29)22-17-4-2-3-5-20(17)27(10-11-28)24(18)22/h2-5,7,9,12,28H,6,8,10-11,13H2,1H3,(H,26,29)
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n/an/a 103n/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


Citation and Details
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM14179
PNG
(3-thia-13,23-diazahexacyclo[14.7.0.0^{2,10}.0^{4,9...)
Show SMILES O=C1NCc2c1c1c3ccccc3sc1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C20H12N2OS/c23-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)24-19/h1-8,22H,9H2,(H,21,23)
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n/an/a 111n/an/an/an/a7.237



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...


Citation and Details
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM2581
PNG
(3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...)
Show SMILES O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24)
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n/an/a 138n/an/an/an/a7.237



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...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(Homo sapiens (Human))
BDBM50425862
PNG
(CHEMBL2312654)
Show SMILES CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1-c1cc(C)no1
Show InChI InChI=1S/C22H26Cl2N6O/c1-13-8-20(31-29-13)19-12-25-22(27-17-10-14(23)9-15(24)11-17)28-21(19)26-16-4-6-18(7-5-16)30(2)3/h8-12,16,18H,4-7H2,1-3H3,(H2,25,26,27,28)
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n/an/a 160n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MAP3K9 (unknown origin) in presence of ATP


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(Homo sapiens (Human))
BDBM50108294
PNG
(CHEMBL288818 | Indolocarbazole analogue)
Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CSCC=C)cc3c3c4CNC(=O)c4c4c5cc(CSCC=C)ccc5n2c4c13
Show InChI InChI=1S/C35H33N3O5S2/c1-5-11-44-17-19-7-9-24-21(13-19)28-29-23(16-36-32(29)39)27-22-14-20(18-45-12-6-2)8-10-25(22)38-31(27)30(28)37(24)26-15-35(41,33(40)42-4)34(38,3)43-26/h5-10,13-14,26,41H,1-2,11-12,15-18H2,3-4H3,(H,36,39)/t26?,34-,35-/m0/s1
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Kyowa-Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Mixed lineage kinase 1 (MLK1)


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

More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM14173
PNG
(3,13-diazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,...)
Show SMILES O=C1NCc2c-3c(Cc4ccccc-34)c3[nH]c4ccccc4c3c12
Show InChI InChI=1S/C21H14N2O/c24-21-19-15(10-22-21)17-12-6-2-1-5-11(12)9-14(17)20-18(19)13-7-3-4-8-16(13)23-20/h1-8,23H,9-10H2,(H,22,24)
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n/an/a 167n/an/an/an/a7.237



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...


Citation and Details
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM24943
PNG
(20-methoxy-3,13-diazahexacyclo[14.8.0.0^{2,10}.0^{...)
Show SMILES COc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4[nH]c32)c1
Show InChI InChI=1S/C23H18N2O2/c1-27-13-7-9-14-12(10-13)6-8-16-19(14)21-17(11-24-23(21)26)20-15-4-2-3-5-18(15)25-22(16)20/h2-5,7,9-10,25H,6,8,11H2,1H3,(H,24,26)
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n/an/a 188n/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(Homo sapiens (Human))
BDBM50358204
PNG
(CHEMBL1922094)
Show SMILES C[C@H](O)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)-c2cnc(N)nc2)N2CCOCC2)CC1
Show InChI InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t15-/m0/s1
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n/an/a 232n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Mlk1


Citation and Details
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM14187
PNG
(3,13-diazahexacyclo[14.8.0.0^{2,10}.0^{4,9}.0^{11,...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1ccc3ccccc3c21
Show InChI InChI=1S/C22H12N2O2/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/h1-10,23H,(H,24,25,26)
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n/an/a 300n/an/an/an/a7.237



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...


Citation and Details
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM14185
PNG
(3,13-diazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,...)
Show SMILES O=C1NC(=O)c2c1c-1c(Cc3ccccc-13)c1[nH]c3ccccc3c21
Show InChI InChI=1S/C21H12N2O2/c24-20-17-15-11-6-2-1-5-10(11)9-13(15)19-16(18(17)21(25)23-20)12-7-3-4-8-14(12)22-19/h1-8,22H,9H2,(H,23,24,25)
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n/an/a>300n/an/an/an/a7.237



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...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(Homo sapiens (Human))
BDBM50108298
PNG
(CHEMBL29709 | Indolocarbazole analogue)
Show SMILES CCCCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCCCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45
Show InChI InChI=1S/C37H41N3O5S2/c1-5-7-13-46-19-21-9-11-26-23(15-21)30-31-25(18-38-34(31)41)29-24-16-22(20-47-14-8-6-2)10-12-27(24)40-33(29)32(30)39(26)28-17-37(43,35(42)44-4)36(40,3)45-28/h9-12,15-16,28,43H,5-8,13-14,17-20H2,1-4H3,(H,38,41)/t28?,36-,37-/m0/s1
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n/an/a 303n/an/an/an/an/an/a



Kyowa-Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Mixed lineage kinase 1 (MLK1)


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

More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM14176
PNG
(3-oxa-13,23-diazahexacyclo[14.7.0.0^{2,10}.0^{4,9}...)
Show SMILES O=C1NCc2c1c1c3ccccc3[nH]c1c1oc3ccccc3c21
Show InChI InChI=1S/C20H12N2O2/c23-20-17-12(9-21-20)15-11-6-2-4-8-14(11)24-19(15)18-16(17)10-5-1-3-7-13(10)22-18/h1-8,22H,9H2,(H,21,23)
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n/an/a 308n/an/an/an/a7.237



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...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(Homo sapiens (Human))
BDBM50108300
PNG
(CHEMBL38338 | Indolocarbazole analogue)
Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CSCCN(C)C)cc3c3c4CNC(=O)c4c4c5cc(CSCCN(C)C)ccc5n2c4c13
Show InChI InChI=1S/C37H43N5O5S2/c1-36-37(45,35(44)46-6)17-28(47-36)41-26-9-7-21(19-48-13-11-39(2)3)15-23(26)30-31-25(18-38-34(31)43)29-24-16-22(20-49-14-12-40(4)5)8-10-27(24)42(36)33(29)32(30)41/h7-10,15-16,28,45H,11-14,17-20H2,1-6H3,(H,38,43)/t28?,36-,37-/m0/s1
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n/an/a 360n/an/an/an/an/an/a



Kyowa-Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Mixed lineage kinase 1 (MLK1)


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

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(Homo sapiens (Human))
BDBM50430289
PNG
(CHEMBL2333445)
Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3c[nH]nc3-c2c1
Show InChI InChI=1S/C18H17N3O2S/c1-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)18-17(11-19-20-18)24(22,23)21(16)2/h4-11H,3H2,1-2H3,(H,19,20)
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n/an/a 370n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MLK1 (unknown origin) using [gamma-33P]ATP


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(Homo sapiens (Human))
BDBM50402409
PNG
(CHEMBL2208034)
Show SMILES O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)[C@H]1CCCN1
Show InChI InChI=1S/C25H28N6O2/c32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31/h3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30)/t23-/m1/s1
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n/an/a 370n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of MLK1


Citation and Details
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM14183
PNG
(3-thia-13-azahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{...)
Show SMILES O=C1NCc2c1c-1c(Cc3ccccc-13)c1sc3ccccc3c21
Show InChI InChI=1S/C21H13NOS/c23-21-19-15(10-22-21)18-13-7-3-4-8-16(13)24-20(18)14-9-11-5-1-2-6-12(11)17(14)19/h1-8H,9-10H2,(H,22,23)
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n/an/a 482n/an/an/an/a7.237



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...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(Homo sapiens (Human))
BDBM50312613
PNG
(2-(2-(2-Aminopyrimidin-5-yl)-4-morpholinothieno[3,...)
Show SMILES CC(C)(O)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1
Show InChI InChI=1S/C17H20N6O2S/c1-17(2,24)12-7-11-13(26-12)15(23-3-5-25-6-4-23)22-14(21-11)10-8-19-16(18)20-9-10/h7-9,24H,3-6H2,1-2H3,(H2,18,19,20)
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n/an/a 591n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of MLK1


Citation and Details
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM14184
PNG
(3-thia-13-azahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{...)
Show SMILES O=C1NCc2c-3c(Cc4ccccc-34)c3sc4ccccc4c3c12
Show InChI InChI=1S/C21H13NOS/c23-21-19-15(10-22-21)17-12-6-2-1-5-11(12)9-14(17)20-18(19)13-7-3-4-8-16(13)24-20/h1-8H,9-10H2,(H,22,23)
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n/an/a 615n/an/an/an/a7.237



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...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(Homo sapiens (Human))
BDBM50312605
PNG
(2-(2-(2-amino-4-methylpyrimidin-5-yl)-4-morpholino...)
Show SMILES Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2sc(cc2n1)C(C)(C)O
Show InChI InChI=1S/C18H22N6O2S/c1-10-11(9-20-17(19)21-10)15-22-12-8-13(18(2,3)25)27-14(12)16(23-15)24-4-6-26-7-5-24/h8-9,25H,4-7H2,1-3H3,(H2,19,20,21)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of MLK1


Citation and Details
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM14178
PNG
(12,13-dihydro-6H,7H,14H-naphthyl-[3,4-a]pyrrolo[3,...)
Show SMILES O=C1NCc2c1c-1c(CCc3ccccc-13)c1[nH]c3ccccc3c21
Show InChI InChI=1S/C22H16N2O/c25-22-20-16(11-23-22)19-14-7-3-4-8-17(14)24-21(19)15-10-9-12-5-1-2-6-13(12)18(15)20/h1-8,24H,9-11H2,(H,23,25)
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n/an/a 1.11E+3n/an/an/an/a7.237



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...


Citation and Details
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM14178
PNG
(12,13-dihydro-6H,7H,14H-naphthyl-[3,4-a]pyrrolo[3,...)
Show SMILES O=C1NCc2c1c-1c(CCc3ccccc-13)c1[nH]c3ccccc3c21
Show InChI InChI=1S/C22H16N2O/c25-22-20-16(11-23-22)19-14-7-3-4-8-17(14)24-21(19)15-10-9-12-5-1-2-6-13(12)18(15)20/h1-8,24H,9-11H2,(H,23,25)
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n/an/a 1.11E+3n/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


Citation and Details
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM14181
PNG
(13-azahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}....)
Show SMILES O=C1NCc2c1c-1c(Cc3ccccc-13)c1Cc3ccccc3-c21
Show InChI InChI=1S/C22H15NO/c24-22-21-18(11-23-22)19-14-7-3-1-5-12(14)9-16(19)17-10-13-6-2-4-8-15(13)20(17)21/h1-8H,9-11H2,(H,23,24)
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n/an/a 1.42E+3n/an/an/an/a7.237



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...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(Homo sapiens (Human))
BDBM50396534
PNG
(CHEMBL2171124)
Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C24H20F3N5O/c1-31-12-18(21-22(28)29-13-30-23(21)31)15-5-6-19-16(11-15)7-8-32(19)20(33)10-14-3-2-4-17(9-14)24(25,26)27/h2-6,9,11-13H,7-8,10H2,1H3,(H2,28,29,30)
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n/an/a 1.58E+3n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MLK1


Citation and Details
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1)


(Homo sapiens (Human))
BDBM14175
PNG
(3-thia-13,23-diazahexacyclo[14.7.0.0^{2,10}.0^{4,9...)
Show SMILES O=C1NCc2c1c1c3ccccc3[nH]c1c1sc3ccccc3c21
Show InChI InChI=1S/C20H12N2OS/c23-20-17-12(9-21-20)15-11-6-2-4-8-14(11)24-19(15)18-16(17)10-5-1-3-7-13(10)22-18/h1-8,22H,9H2,(H,21,23)
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n/an/a 1.80E+3n/an/an/an/a7.237



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...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(Homo sapiens (Human))
BDBM50396041
PNG
(CHEMBL2170016)
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1Cl
Show InChI InChI=1S/C17H20ClN5O3/c1-19-15-12(18)10-20-17(22-15)21-13-4-3-11(9-14(13)25-2)16(24)23-5-7-26-8-6-23/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22)
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n/an/a 2.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MLK1 by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(Homo sapiens (Human))
BDBM50255048
PNG
(3,4-Difluoro-2-(2-fluoro-4-iodo-phenylamino)-5-[(5...)
Show SMILES OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F
Show InChI InChI=1S/C20H13F3IN3O5/c21-13-6-10(24)1-3-14(13)26-18-12(20(30)31)5-9(16(22)17(18)23)7-25-27-19(29)15-4-2-11(8-28)32-15/h1-7,26,28H,8H2,(H,27,29)(H,30,31)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to MAP3K9 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
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