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Compile Data Set for Download or QSAR

Found 158 hits Enz. Inhib. hit(s) with Target = 'Mixed lineage kinase 7'   
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
Mixed lineage kinase 7


(Homo sapiens)
BDBM50096279
PNG
(CHEMBL3577124)
Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C
Show InChI InChI=1S/C18H13N3O5/c22-14(23)5-4-10-8-21-13-7-12-9(6-15(24)25)2-1-3-11(12)16(13)20-18(26)17(21)19-10/h1-5,8H,6-7H2,(H,20,26)(H,22,23)(H,24,25)/b5-4+
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n/an/a 39n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Competitive binding affinity to ZAK in human A375 cells after 15 mins in presence of ATP analogue


J Med Chem 58: 4165-79 (2015)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM50184490
PNG
(3-[6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]...)
Show SMILES OCCCn1cnc2ccc(cc12)-c1c2CCCn2nc1-c1ccccn1
Show InChI InChI=1S/C21H21N5O/c27-12-4-10-25-14-23-16-8-7-15(13-19(16)25)20-18-6-3-11-26(18)24-21(20)17-5-1-2-9-22-17/h1-2,5,7-9,13-14,27H,3-4,6,10-12H2
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n/an/a 708n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of MLK7


J Med Chem 49: 2138-42 (2006)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM50184486
PNG
(1-methyl-6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[...)
Show SMILES Cn1cnc2ccc(cc12)-c1c2CCCn2nc1-c1ccccn1
Show InChI InChI=1S/C19H17N5/c1-23-12-21-14-8-7-13(11-17(14)23)18-16-6-4-10-24(16)22-19(18)15-5-2-3-9-20-15/h2-3,5,7-9,11-12H,4,6,10H2,1H3
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n/an/a 1.31E+3n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of MLK7


J Med Chem 49: 2138-42 (2006)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM21492
PNG
(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)
Show SMILES c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of MLK7


J Med Chem 49: 2138-42 (2006)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM50184483
PNG
(1-methyl-6-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4...)
Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc2ncn(C)c2c1
Show InChI InChI=1S/C20H19N5/c1-13-5-3-6-16(22-13)20-19(17-7-4-10-25(17)23-20)14-8-9-15-18(11-14)24(2)12-21-15/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3
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n/an/a 2.34E+3n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of MLK7


J Med Chem 49: 2138-42 (2006)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM50184489
PNG
(3-(6-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrr...)
Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc2ncn(CCCO)c2c1
Show InChI InChI=1S/C22H23N5O/c1-15-5-2-6-18(24-15)22-21(19-7-3-11-27(19)25-22)16-8-9-17-20(13-16)26(14-23-17)10-4-12-28/h2,5-6,8-9,13-14,28H,3-4,7,10-12H2,1H3
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n/an/a 2.81E+3n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of MLK7


J Med Chem 49: 2138-42 (2006)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM50184491
PNG
(6-(2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]p...)
Show SMILES C(CN1CCCC1)Cn1cnc2ccc(cc12)-c1c2CCCn2nc1-c1ccccn1
Show InChI InChI=1S/C25H28N6/c1-2-11-26-21(7-1)25-24(22-8-5-16-31(22)28-25)19-9-10-20-23(17-19)30(18-27-20)15-6-14-29-12-3-4-13-29/h1-2,7,9-11,17-18H,3-6,8,12-16H2
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n/an/a 4.88E+3n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of MLK7


J Med Chem 49: 2138-42 (2006)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM50184487
PNG
(4-(3-(6-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-p...)
Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc2ncn(CCCN3CCOCC3)c2c1
Show InChI InChI=1S/C26H30N6O/c1-19-5-2-6-22(28-19)26-25(23-7-3-12-32(23)29-26)20-8-9-21-24(17-20)31(18-27-21)11-4-10-30-13-15-33-16-14-30/h2,5-6,8-9,17-18H,3-4,7,10-16H2,1H3
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n/an/a 8.48E+3n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of MLK7


J Med Chem 49: 2138-42 (2006)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM50401152
PNG
(CHEMBL2205766)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
Show InChI InChI=1S/C15H18N6O2S/c1-15(2,3)20-24(22,23)12-6-11(8-17-9-12)10-4-5-21-13(7-10)18-14(16)19-21/h4-9,20H,1-3H3,(H2,16,19)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of ZAK


Bioorg Med Chem Lett 22: 4613-8 (2012)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM50135286
PNG
(CHEMBL3745885)
Show SMILES Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C22H15F2N5O3S/c1-29-20-13(9-19(21(29)30)33(31,32)18-5-2-14(23)10-16(18)24)11-26-22(28-20)27-15-3-4-17-12(8-15)6-7-25-17/h2-11,25H,1H3,(H,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human ZAK using MBP substrate


Bioorg Med Chem 24: 521-44 (2016)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM50150698
PNG
(3-(imidazo[1,2-a]pyridin-3-yl)-4-(2-(morpholine-4-...)
Show SMILES O=C(N1CCOCC1)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23
Show InChI InChI=1S/C27H24N6O4/c34-25-22(23(26(35)29-25)20-14-28-21-6-1-2-7-33(20)21)19-16-31-8-9-32(27(36)30-10-12-37-13-11-30)15-17-4-3-5-18(19)24(17)31/h1-7,14,16H,8-13,15H2,(H,29,34,35)
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n/an/a 1.34E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MLK7


J Med Chem 47: 3934-7 (2004)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM50184480
PNG
(CHEMBL202730 | dimethyl-{3-[6-(2-pyridin-2-yl-5,6-...)
Show SMILES CN(C)CCCn1cnc2ccc(cc12)-c1c2CCCn2nc1-c1ccccn1
Show InChI InChI=1S/C23H26N6/c1-27(2)12-6-13-28-16-25-18-10-9-17(15-21(18)28)22-20-8-5-14-29(20)26-23(22)19-7-3-4-11-24-19/h3-4,7,9-11,15-16H,5-6,8,12-14H2,1-2H3
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n/an/a 1.59E+4n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of MLK7


J Med Chem 49: 2138-42 (2006)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM50184488
PNG
(6-[2-(6-methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrol...)
Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc2nc[nH]c2c1
Show InChI InChI=1S/C19H17N5/c1-12-4-2-5-15(22-12)19-18(17-6-3-9-24(17)23-19)13-7-8-14-16(10-13)21-11-20-14/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,21)
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n/an/a 1.59E+4n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of MLK7


J Med Chem 49: 2138-42 (2006)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM50184481
PNG
(1-methyl-5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[...)
Show SMILES Cn1ccc2cc(ccc12)-c1c2CCCn2nc1-c1ccccn1
Show InChI InChI=1S/C20H18N4/c1-23-12-9-14-13-15(7-8-17(14)23)19-18-6-4-11-24(18)22-20(19)16-5-2-3-10-21-16/h2-3,5,7-10,12-13H,4,6,11H2,1H3
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n/an/a 1.66E+4n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of MLK7


J Med Chem 49: 2138-42 (2006)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM50184482
PNG
(1-methyl-5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[...)
Show SMILES Cn1cnc2cc(ccc12)-c1c2CCCn2nc1-c1ccccn1
Show InChI InChI=1S/C19H17N5/c1-23-12-21-15-11-13(7-8-16(15)23)18-17-6-4-10-24(17)22-19(18)14-5-2-3-9-20-14/h2-3,5,7-9,11-12H,4,6,10H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of MLK7


J Med Chem 49: 2138-42 (2006)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM50184497
PNG
(6-[2-(6-methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrol...)
Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc2ncn(CCCN3CCCC3)c2c1
Show InChI InChI=1S/C26H30N6/c1-19-7-4-8-22(28-19)26-25(23-9-5-16-32(23)29-26)20-10-11-21-24(17-20)31(18-27-21)15-6-14-30-12-2-3-13-30/h4,7-8,10-11,17-18H,2-3,5-6,9,12-16H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of MLK7


J Med Chem 49: 2138-42 (2006)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM50184498
PNG
(5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyr...)
Show SMILES C1Cc2c(c(nn2C1)-c1ccccn1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C19H16N4/c1-2-9-20-16(4-1)19-18(17-5-3-11-23(17)22-19)14-6-7-15-13(12-14)8-10-21-15/h1-2,4,6-10,12,21H,3,5,11H2
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Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of MLK7


J Med Chem 49: 2138-42 (2006)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM50184493
PNG
(CHEMBL203791 | N,N-diethyl-3-(6-(2-(6-methylpyridi...)
Show SMILES CCN(CC)CCCn1cnc2ccc(cc12)-c1c2CCCn2nc1-c1cccc(C)n1
Show InChI InChI=1S/C26H32N6/c1-4-30(5-2)14-8-15-31-18-27-21-13-12-20(17-24(21)31)25-23-11-7-16-32(23)29-26(25)22-10-6-9-19(3)28-22/h6,9-10,12-13,17-18H,4-5,7-8,11,14-16H2,1-3H3
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Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of MLK7


J Med Chem 49: 2138-42 (2006)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM50184496
PNG
(CHEMBL441176 | dimethyl-(3-{6-[2-(6-methyl-pyridin...)
Show SMILES CN(C)CCCn1cnc2ccc(cc12)-c1c2CCCn2nc1-c1cccc(C)n1
Show InChI InChI=1S/C24H28N6/c1-17-7-4-8-20(26-17)24-23(21-9-5-14-30(21)27-24)18-10-11-19-22(15-18)29(16-25-19)13-6-12-28(2)3/h4,7-8,10-11,15-16H,5-6,9,12-14H2,1-3H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of MLK7


J Med Chem 49: 2138-42 (2006)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM50184494
PNG
(6-[2-(6-methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrol...)
Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc2ncn(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C27H32N6/c1-20-8-5-9-23(29-20)27-26(24-10-6-17-33(24)30-27)21-11-12-22-25(18-21)32(19-28-22)16-7-15-31-13-3-2-4-14-31/h5,8-9,11-12,18-19H,2-4,6-7,10,13-17H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of MLK7


J Med Chem 49: 2138-42 (2006)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM50184492
PNG
(5-(2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]p...)
Show SMILES C1Cc2c(c(nn2C1)-c1ccccn1)-c1ccc2nc[nH]c2c1
Show InChI InChI=1S/C18H15N5/c1-2-8-19-14(4-1)18-17(16-5-3-9-23(16)22-18)12-6-7-13-15(10-12)21-11-20-13/h1-2,4,6-8,10-11H,3,5,9H2,(H,20,21)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of MLK7


J Med Chem 49: 2138-42 (2006)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM50184484
PNG
(5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyr...)
Show SMILES C(COC1CCCCO1)Cn1cnc2cc(ccc12)-c1c2CCCn2nc1-c1ccccn1
Show InChI InChI=1S/C26H29N5O2/c1-3-12-27-20(7-1)26-25(23-8-5-14-31(23)29-26)19-10-11-22-21(17-19)28-18-30(22)13-6-16-33-24-9-2-4-15-32-24/h1,3,7,10-12,17-18,24H,2,4-6,8-9,13-16H2
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Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of MLK7


J Med Chem 49: 2138-42 (2006)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM50184495
PNG
(1-methyl-5-[2-(6-methyl-pyridin-2-yl)-5,6-dihydro-...)
Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc2n(C)ccc2c1
Show InChI InChI=1S/C21H20N4/c1-14-5-3-6-17(22-14)21-20(19-7-4-11-25(19)23-21)16-8-9-18-15(13-16)10-12-24(18)2/h3,5-6,8-10,12-13H,4,7,11H2,1-2H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of MLK7


J Med Chem 49: 2138-42 (2006)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM50184485
PNG
(5-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo...)
Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc2n(CCCOC3CCCCO3)cnc2c1
Show InChI InChI=1S/C27H31N5O2/c1-19-7-4-8-21(29-19)27-26(24-9-5-14-32(24)30-27)20-11-12-23-22(17-20)28-18-31(23)13-6-16-34-25-10-2-3-15-33-25/h4,7-8,11-12,17-18,25H,2-3,5-6,9-10,13-16H2,1H3
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Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of MLK7


J Med Chem 49: 2138-42 (2006)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM50150700
PNG
(7-(4-Imidazo[1,2-a]pyridin-3-yl-2,5-dioxo-2,5-dihy...)
Show SMILES CC(C)OC(=O)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23
Show InChI InChI=1S/C26H23N5O4/c1-15(2)35-26(34)30-11-10-29-14-18(17-7-5-6-16(13-30)23(17)29)21-22(25(33)28-24(21)32)19-12-27-20-8-3-4-9-31(19)20/h3-9,12,14-15H,10-11,13H2,1-2H3,(H,28,32,33)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MLK7


J Med Chem 47: 3934-7 (2004)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM50150702
PNG
(3-Imidazo[1,2-a]pyridin-3-yl-4-[2-(piperidine-1-ca...)
Show SMILES O=C(N1CCCCC1)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23
Show InChI InChI=1S/C28H26N6O3/c35-26-23(24(27(36)30-26)21-15-29-22-9-2-5-12-34(21)22)20-17-32-13-14-33(28(37)31-10-3-1-4-11-31)16-18-7-6-8-19(20)25(18)32/h2,5-9,12,15,17H,1,3-4,10-11,13-14,16H2,(H,30,35,36)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MLK7


J Med Chem 47: 3934-7 (2004)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM50150699
PNG
(3-(9-fluoro-2-(piperidine-1-carbonyl)-1,2,3,4-tetr...)
Show SMILES Fc1cc2CN(CCn3cc(C4=C(C(=O)NC4=O)c4cnc5ccccn45)c(c1)c23)C(=O)N1CCCCC1
Show InChI InChI=1S/C28H25FN6O3/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MLK7


J Med Chem 47: 3934-7 (2004)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM50150701
PNG
(7-(4-(H-imidazo[1,2-a]pyridin-3-yl)-2,5-dioxo-2,5-...)
Show SMILES CN(C)C(=O)N1CCn2cc(C3=C(C(=O)NC3=O)c3cnc4ccccn34)c3cccc(C1)c23
Show InChI InChI=1S/C25H22N6O3/c1-28(2)25(34)30-11-10-29-14-17(16-7-5-6-15(13-30)22(16)29)20-21(24(33)27-23(20)32)18-12-26-19-8-3-4-9-31(18)19/h3-9,12,14H,10-11,13H2,1-2H3,(H,27,32,33)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MLK7


J Med Chem 47: 3934-7 (2004)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
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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>8.57E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ZAK


Bioorg Med Chem Lett 17: 6593-601 (2007)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM50326053
PNG
(CHEMBL608533 | NA | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ZAK kinase domain


Nat Biotechnol 26: 127-32 (2008)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ZAK kinase domain


Nat Biotechnol 26: 127-32 (2008)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM4851
PNG
((4-chlorophenyl)-[4-(4-pyridylmethyl)phthalazin-1-...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)
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n/an/an/a 4.40E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ZAK kinase domain


Nat Biotechnol 26: 127-32 (2008)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ZAK kinase domain


Nat Biotechnol 26: 127-32 (2008)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM13531
PNG
(4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridy...)
Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ZAK kinase domain


Nat Biotechnol 26: 127-32 (2008)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM13336
PNG
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/an/a 4.40E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ZAK kinase domain


Nat Biotechnol 26: 127-32 (2008)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM50110208
PNG
(4-(4-(benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1...)
Show SMILES NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
Show InChI InChI=1S/C22H16N4O3/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H2,23,27)(H,25,26)
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ZAK kinase domain


Nat Biotechnol 26: 127-32 (2008)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/an/a 6.30n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ZAK kinase domain


Nat Biotechnol 26: 127-32 (2008)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM31095
PNG
(5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-yli...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
Show InChI InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ZAK kinase domain


Nat Biotechnol 26: 127-32 (2008)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ZAK kinase domain


Nat Biotechnol 26: 127-32 (2008)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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n/an/an/a 2.80E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ZAK kinase domain


Nat Biotechnol 26: 127-32 (2008)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM15244
PNG
(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)
Show SMILES Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1
Show InChI InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ZAK kinase domain


Nat Biotechnol 26: 127-32 (2008)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM21
PNG
(6-[(4R,5S,6S,7R)-4,7-dibenzyl-3-(5-carboxypentyl)-...)
Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
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n/an/an/a 5.10E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ZAK kinase domain


Nat Biotechnol 26: 127-32 (2008)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM13535
PNG
(4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin...)
Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
Show InChI InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to ZAK


Blood 114: 2984-92 (2009)

More data for this
Ligand-Target Pair
Mixed lineage kinase 7


(Homo sapiens)
BDBM50300690
PNG
(CHEMBL576982 | N-(5-tert-Butyl-isoxazol-3-yl)-N'-{...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to ZAK


Blood 114: 2984-92 (2009)

More data for this
Ligand-Target Pair
ZAK


(Homo sapiens)
BDBM31085
PNG
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)
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n/an/an/a 2.30E+3n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
ZAK


(Homo sapiens)
BDBM26300
PNG
(2-{3-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}qu...)
Show SMILES CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
Show InChI InChI=1S/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33)
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n/an/an/a 1.70E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
ZAK


(Homo sapiens)
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/an/a 8.60E+5n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
ZAK


(Homo sapiens)
BDBM31088
PNG
(1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-y...)
Show SMILES Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Show InChI InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34)
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n/an/an/a 6.30E+4n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
ZAK


(Homo sapiens)
BDBM4779
PNG
(CHEMBL31965 | CHEMBL545315 | CI-1033 | N-{4-[(3-ch...)
Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)
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n/an/an/a 1.20E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
ZAK


(Homo sapiens)
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/an/a 4.50E+4n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
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