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PubMed code 23099093

Compile data set for download or QSAR
Found 84 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401913
PNG
(CHEMBL2207214)
Show SMILES O=C(NCCCNc1nc(Nc2cnn(c2)C2CCOCC2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C23H33N7O2/c31-22(17-3-1-4-17)25-10-2-9-24-21-20(16-5-6-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-11-32-12-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401928
PNG
(CHEMBL2207195)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1
Show InChI InChI=1S/C27H37N7O2/c1-33-14-16-34(17-15-33)26(36)21-8-10-22(11-9-21)31-27-30-18-23(19-6-7-19)24(32-27)28-12-3-13-29-25(35)20-4-2-5-20/h8-11,18-20H,2-7,12-17H2,1H3,(H,29,35)(H2,28,30,31,32)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401915
PNG
(CHEMBL2207212)
Show SMILES O=C(NCCCNc1nc(Nc2cnn(c2)C2CCC2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C22H31N7O/c30-21(16-4-1-5-16)24-11-3-10-23-20-19(15-8-9-15)13-25-22(28-20)27-17-12-26-29(14-17)18-6-2-7-18/h12-16,18H,1-11H2,(H,24,30)(H2,23,25,27,28)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401907
PNG
(CHEMBL2207181)
Show SMILES Fc1cccc(Nc2ncc(Br)c(NCCCNC(=O)C3CCC3)n2)c1
Show InChI InChI=1S/C18H21BrFN5O/c19-15-11-23-18(24-14-7-2-6-13(20)10-14)25-16(15)21-8-3-9-22-17(26)12-4-1-5-12/h2,6-7,10-12H,1,3-5,8-9H2,(H,22,26)(H2,21,23,24,25)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401903
PNG
(CHEMBL2207194)
Show SMILES O=C(NCCCNc1nc(Nc2cccc(Cn3cncn3)c2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C24H30N8O/c33-23(19-5-2-6-19)27-11-3-10-26-22-21(18-8-9-18)13-28-24(31-22)30-20-7-1-4-17(12-20)14-32-16-25-15-29-32/h1,4,7,12-13,15-16,18-19H,2-3,5-6,8-11,14H2,(H,27,33)(H2,26,28,30,31)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401927
PNG
(CHEMBL2207199)
Show SMILES O=C(NCCCNc1nc(Nc2ccc(cc2)-n2cncn2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C23H28N8O/c32-22(17-3-1-4-17)26-12-2-11-25-21-20(16-5-6-16)13-27-23(30-21)29-18-7-9-19(10-8-18)31-15-24-14-28-31/h7-10,13-17H,1-6,11-12H2,(H,26,32)(H2,25,27,29,30)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401918
PNG
(CHEMBL2207209)
Show SMILES CC(C)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1
Show InChI InChI=1S/C21H31N7O/c1-14(2)28-13-17(11-25-28)26-21-24-12-18(15-7-8-15)19(27-21)22-9-4-10-23-20(29)16-5-3-6-16/h11-16H,3-10H2,1-2H3,(H,23,29)(H2,22,24,26,27)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401914
PNG
(CHEMBL2207213)
Show SMILES O=C(NCCCNc1nc(Nc2cnn(c2)C2CCCC2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C23H33N7O/c31-22(17-5-3-6-17)25-12-4-11-24-21-20(16-9-10-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-1-2-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401900
PNG
(CHEMBL2207198)
Show SMILES O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401910
PNG
(CHEMBL2207217)
Show SMILES Brc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)c1cccs1
Show InChI InChI=1S/C23H26BrN7O2S/c24-18-15-27-22(30-20(18)25-9-5-10-26-21(32)19-8-4-13-34-19)28-16-6-3-7-17(14-16)29-23(33)31-11-1-2-12-31/h3-4,6-8,13-15H,1-2,5,9-12H2,(H,26,32)(H,29,33)(H2,25,27,28,30)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401902
PNG
(CHEMBL2207196)
Show SMILES CN(C)Cc1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1
Show InChI InChI=1S/C24H34N6O/c1-30(2)16-17-7-11-20(12-8-17)28-24-27-15-21(18-9-10-18)22(29-24)25-13-4-14-26-23(31)19-5-3-6-19/h7-8,11-12,15,18-19H,3-6,9-10,13-14,16H2,1-2H3,(H,26,31)(H2,25,27,28,29)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401920
PNG
(CHEMBL2207206)
Show SMILES Cc1nn(C)c2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12
Show InChI InChI=1S/C24H31N7O/c1-15-19-10-9-18(13-21(19)31(2)30-15)28-24-27-14-20(16-7-8-16)22(29-24)25-11-4-12-26-23(32)17-5-3-6-17/h9-10,13-14,16-17H,3-8,11-12H2,1-2H3,(H,26,32)(H2,25,27,28,29)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401917
PNG
(CHEMBL2207210)
Show SMILES CCn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1
Show InChI InChI=1S/C20H29N7O/c1-2-27-13-16(11-24-27)25-20-23-12-17(14-7-8-14)18(26-20)21-9-4-10-22-19(28)15-5-3-6-15/h11-15H,2-10H2,1H3,(H,22,28)(H2,21,23,25,26)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401922
PNG
(CHEMBL2207204)
Show SMILES O=C(NCCCNc1nc(Nc2ccc3CCN(Cc3c2)C2CC2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C27H36N6O/c34-26(20-3-1-4-20)29-13-2-12-28-25-24(19-5-6-19)16-30-27(32-25)31-22-8-7-18-11-14-33(23-9-10-23)17-21(18)15-22/h7-8,15-16,19-20,23H,1-6,9-14,17H2,(H,29,34)(H2,28,30,31,32)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401911
PNG
(CHEMBL2207216)
Show SMILES CC(C)N1CCC(CC1)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1
Show InChI InChI=1S/C26H40N8O/c1-18(2)33-13-9-22(10-14-33)34-17-21(15-30-34)31-26-29-16-23(19-7-8-19)24(32-26)27-11-4-12-28-25(35)20-5-3-6-20/h15-20,22H,3-14H2,1-2H3,(H,28,35)(H2,27,29,31,32)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401908
PNG
(CHEMBL2207180)
Show SMILES Fc1cccc(Nc2ncc(Br)c(NCCCNC(=O)C3CCCC3)n2)c1
Show InChI InChI=1S/C19H23BrFN5O/c20-16-12-24-19(25-15-8-3-7-14(21)11-15)26-17(16)22-9-4-10-23-18(27)13-5-1-2-6-13/h3,7-8,11-13H,1-2,4-6,9-10H2,(H,23,27)(H2,22,24,25,26)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401901
PNG
(CHEMBL2207197)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1
Show InChI InChI=1S/C27H38N6O/c1-33-16-12-20(13-17-33)19-8-10-23(11-9-19)31-27-30-18-24(21-6-7-21)25(32-27)28-14-3-15-29-26(34)22-4-2-5-22/h8-11,18,20-22H,2-7,12-17H2,1H3,(H,29,34)(H2,28,30,31,32)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401906
PNG
(CHEMBL2207187)
Show SMILES Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)c1
Show InChI InChI=1S/C21H26FN5O/c22-16-6-2-7-17(12-16)26-21-25-13-18(14-8-9-14)19(27-21)23-10-3-11-24-20(28)15-4-1-5-15/h2,6-7,12-15H,1,3-5,8-11H2,(H,24,28)(H2,23,25,26,27)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401899
PNG
(CHEMBL2207208)
Show SMILES Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1
Show InChI InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401924
PNG
(CHEMBL2207202)
Show SMILES O=C(NCCCNc1nc(Nc2ccc(CN3CCCCC3)nc2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C26H37N7O/c34-25(20-6-4-7-20)28-13-5-12-27-24-23(19-8-9-19)17-30-26(32-24)31-21-10-11-22(29-16-21)18-33-14-2-1-3-15-33/h10-11,16-17,19-20H,1-9,12-15,18H2,(H,28,34)(H2,27,30,31,32)
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n/an/a 9n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401912
PNG
(CHEMBL2207215)
Show SMILES O=C(NCCCNc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C24H36N8O2/c33-23(19-3-1-4-19)26-8-2-7-25-22-21(18-5-6-18)16-27-24(30-22)29-20-15-28-32(17-20)10-9-31-11-13-34-14-12-31/h15-19H,1-14H2,(H,26,33)(H2,25,27,29,30)
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n/an/a 9n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401909
PNG
(CHEMBL2207218)
Show SMILES Fc1cccc(Nc2ncc(Br)c(NCCCNC(=O)c3cccs3)n2)c1
Show InChI InChI=1S/C18H17BrFN5OS/c19-14-11-23-18(24-13-5-1-4-12(20)10-13)25-16(14)21-7-3-8-22-17(26)15-6-2-9-27-15/h1-2,4-6,9-11H,3,7-8H2,(H,22,26)(H2,21,23,24,25)
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n/an/a 9n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401916
PNG
(CHEMBL2207211)
Show SMILES O=C(NCCCNc1nc(Nc2cnn(c2)C2CC2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C21H29N7O/c29-20(15-3-1-4-15)23-10-2-9-22-19-18(14-5-6-14)12-24-21(27-19)26-16-11-25-28(13-16)17-7-8-17/h11-15,17H,1-10H2,(H,23,29)(H2,22,24,26,27)
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n/an/a 10n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401905
PNG
(CHEMBL2207192)
Show SMILES O=C(NCCCNc1nc(Nc2cccc(c2)-c2cnco2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C24H28N6O2/c31-23(17-4-1-5-17)27-11-3-10-26-22-20(16-8-9-16)13-28-24(30-22)29-19-7-2-6-18(12-19)21-14-25-15-32-21/h2,6-7,12-17H,1,3-5,8-11H2,(H,27,31)(H2,26,28,29,30)
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n/an/a 11n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 3


(Homo sapiens (Human))
BDBM50401900
PNG
(CHEMBL2207198)
Show SMILES O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)
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n/an/a 12n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of MARK3


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401926
PNG
(CHEMBL2207200)
Show SMILES O=C(NCCCNc1nc(Nc2cccnc2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C20H26N6O/c27-19(15-4-1-5-15)23-11-3-10-22-18-17(14-7-8-14)13-24-20(26-18)25-16-6-2-9-21-12-16/h2,6,9,12-15H,1,3-5,7-8,10-11H2,(H,23,27)(H2,22,24,25,26)
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n/an/a 13n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401925
PNG
(CHEMBL2207201)
Show SMILES O=C(NCCCNc1nc(Nc2ccc(nc2)N2CCOCC2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C24H33N7O2/c32-23(18-3-1-4-18)26-10-2-9-25-22-20(17-5-6-17)16-28-24(30-22)29-19-7-8-21(27-15-19)31-11-13-33-14-12-31/h7-8,15-18H,1-6,9-14H2,(H,26,32)(H2,25,28,29,30)
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n/an/a 15n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401921
PNG
(CHEMBL2207205)
Show SMILES Cn1ncc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12
Show InChI InChI=1S/C23H29N7O/c1-30-20-9-8-18(12-17(20)13-27-30)28-23-26-14-19(15-6-7-15)21(29-23)24-10-3-11-25-22(31)16-4-2-5-16/h8-9,12-16H,2-7,10-11H2,1H3,(H,25,31)(H2,24,26,28,29)
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n/an/a 16n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 3


(Homo sapiens (Human))
BDBM50401899
PNG
(CHEMBL2207208)
Show SMILES Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1
Show InChI InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)
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n/an/a 20n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of MARK3


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401939
PNG
(CHEMBL2207178)
Show SMILES Fc1cccc(Nc2ncc(Br)c(NCCCNC(=O)c3cnccn3)n2)c1
Show InChI InChI=1S/C18H17BrFN7O/c19-14-10-25-18(26-13-4-1-3-12(20)9-13)27-16(14)23-5-2-6-24-17(28)15-11-21-7-8-22-15/h1,3-4,7-11H,2,5-6H2,(H,24,28)(H2,23,25,26,27)
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n/an/a 22n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM50401910
PNG
(CHEMBL2207217)
Show SMILES Brc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)c1cccs1
Show InChI InChI=1S/C23H26BrN7O2S/c24-18-15-27-22(30-20(18)25-9-5-10-26-21(32)19-8-4-13-34-19)28-16-6-3-7-17(14-16)29-23(33)31-11-1-2-12-31/h3-4,6-8,13-15H,1-2,5,9-12H2,(H,26,32)(H,29,33)(H2,25,27,28,30)
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n/an/a 26n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of PDK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401904
PNG
(CHEMBL2207193)
Show SMILES O=C(NCCCNc1nc(Nc2cccc(c2)N2CCOCC2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C25H34N6O2/c32-24(19-4-1-5-19)27-11-3-10-26-23-22(18-8-9-18)17-28-25(30-23)29-20-6-2-7-21(16-20)31-12-14-33-15-13-31/h2,6-7,16-19H,1,3-5,8-15H2,(H,27,32)(H2,26,28,29,30)
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n/an/a 28n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM50401900
PNG
(CHEMBL2207198)
Show SMILES O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)
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n/an/a 30n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of IKKepsilon


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Mus musculus)
BDBM50401900
PNG
(CHEMBL2207198)
Show SMILES O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)
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n/an/a 58n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1-mediated RANTES release in LPS-stimulated mouse RAW264.7 cells compound incubated for 30 mins prior LPS challenge measured after 6...


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401942
PNG
(CHEMBL2207219)
Show SMILES COCCC(=O)NCCCNc1nc(Nc2cccc(F)c2)ncc1Br
Show InChI InChI=1S/C17H21BrFN5O2/c1-26-9-6-15(25)20-7-3-8-21-16-14(18)11-22-17(24-16)23-13-5-2-4-12(19)10-13/h2,4-5,10-11H,3,6-9H2,1H3,(H,20,25)(H2,21,22,23,24)
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n/an/a 60n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401935
PNG
(CHEMBL2207184)
Show SMILES CCc1cnc(Nc2cccc(F)c2)nc1NCCCNC(=O)C1CCC1
Show InChI InChI=1S/C20H26FN5O/c1-2-14-13-24-20(25-17-9-4-8-16(21)12-17)26-18(14)22-10-5-11-23-19(27)15-6-3-7-15/h4,8-9,12-13,15H,2-3,5-7,10-11H2,1H3,(H,23,27)(H2,22,24,25,26)
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n/an/a 63n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM50401907
PNG
(CHEMBL2207181)
Show SMILES Fc1cccc(Nc2ncc(Br)c(NCCCNC(=O)C3CCC3)n2)c1
Show InChI InChI=1S/C18H21BrFN5O/c19-15-11-23-18(24-14-7-2-6-13(20)10-14)25-16(15)21-8-3-9-22-17(26)12-4-1-5-12/h2,6-7,10-12H,1,3-5,8-9H2,(H,22,26)(H2,21,23,24,25)
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n/an/a 68n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of PDK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Mus musculus)
BDBM50401918
PNG
(CHEMBL2207209)
Show SMILES CC(C)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1
Show InChI InChI=1S/C21H31N7O/c1-14(2)28-13-17(11-25-28)26-21-24-12-18(15-7-8-15)19(27-21)22-9-4-10-23-20(29)16-5-3-6-16/h11-16H,3-10H2,1-2H3,(H,23,29)(H2,22,24,26,27)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1-mediated RANTES release in LPS-stimulated mouse RAW264.7 cells compound incubated for 30 mins prior LPS challenge measured after 6...


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Mus musculus)
BDBM50401903
PNG
(CHEMBL2207194)
Show SMILES O=C(NCCCNc1nc(Nc2cccc(Cn3cncn3)c2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C24H30N8O/c33-23(19-5-2-6-19)27-11-3-10-26-22-21(18-8-9-18)13-28-24(31-22)30-20-7-1-4-17(12-20)14-32-16-25-15-29-32/h1,4,7,12-13,15-16,18-19H,2-3,5-6,8-11,14H2,(H,27,33)(H2,26,28,30,31)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1-mediated RANTES release in LPS-stimulated mouse RAW264.7 cells compound incubated for 30 mins prior LPS challenge measured after 6...


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Mus musculus)
BDBM50401920
PNG
(CHEMBL2207206)
Show SMILES Cc1nn(C)c2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12
Show InChI InChI=1S/C24H31N7O/c1-15-19-10-9-18(13-21(19)31(2)30-15)28-24-27-14-20(16-7-8-16)22(29-24)25-11-4-12-26-23(32)17-5-3-6-17/h9-10,13-14,16-17H,3-8,11-12H2,1-2H3,(H,26,32)(H2,25,27,28,29)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1-mediated RANTES release in LPS-stimulated mouse RAW264.7 cells compound incubated for 30 mins prior LPS challenge measured after 6...


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Mus musculus)
BDBM50401914
PNG
(CHEMBL2207213)
Show SMILES O=C(NCCCNc1nc(Nc2cnn(c2)C2CCCC2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C23H33N7O/c31-22(17-5-3-6-17)25-12-4-11-24-21-20(16-9-10-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-1-2-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1-mediated RANTES release in LPS-stimulated mouse RAW264.7 cells compound incubated for 30 mins prior LPS challenge measured after 6...


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM50401899
PNG
(CHEMBL2207208)
Show SMILES Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1
Show InChI InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of IKKepsilon


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401932
PNG
(CHEMBL2207188)
Show SMILES Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)c3cccs3)n2)c1
Show InChI InChI=1S/C21H22FN5OS/c22-15-4-1-5-16(12-15)26-21-25-13-17(14-7-8-14)19(27-21)23-9-3-10-24-20(28)18-6-2-11-29-18/h1-2,4-6,11-14H,3,7-10H2,(H,24,28)(H2,23,25,26,27)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50401899
PNG
(CHEMBL2207208)
Show SMILES Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1
Show InChI InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Mus musculus)
BDBM50401916
PNG
(CHEMBL2207211)
Show SMILES O=C(NCCCNc1nc(Nc2cnn(c2)C2CC2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C21H29N7O/c29-20(15-3-1-4-15)23-10-2-9-22-19-18(14-5-6-14)12-24-21(27-19)26-16-11-25-28(13-16)17-7-8-17/h11-15,17H,1-10H2,(H,23,29)(H2,22,24,26,27)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1-mediated RANTES release in LPS-stimulated mouse RAW264.7 cells compound incubated for 30 mins prior LPS challenge measured after 6...


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM50401909
PNG
(CHEMBL2207218)
Show SMILES Fc1cccc(Nc2ncc(Br)c(NCCCNC(=O)c3cccs3)n2)c1
Show InChI InChI=1S/C18H17BrFN5OS/c19-14-11-23-18(24-13-5-1-4-12(20)10-13)25-16(14)21-7-3-8-22-17(26)15-6-2-9-27-15/h1-2,4-6,9-11H,3,7-8H2,(H,22,26)(H2,21,23,24,25)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of PDK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Mus musculus)
BDBM50401917
PNG
(CHEMBL2207210)
Show SMILES CCn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1
Show InChI InChI=1S/C20H29N7O/c1-2-27-13-16(11-24-27)25-20-23-12-17(14-7-8-14)18(26-20)21-9-4-10-22-19(28)15-5-3-6-15/h11-15H,2-10H2,1H3,(H,22,28)(H2,21,23,25,26)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1-mediated RANTES release in LPS-stimulated mouse RAW264.7 cells compound incubated for 30 mins prior LPS challenge measured after 6...


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Mus musculus)
BDBM50401927
PNG
(CHEMBL2207199)
Show SMILES O=C(NCCCNc1nc(Nc2ccc(cc2)-n2cncn2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C23H28N8O/c32-22(17-3-1-4-17)26-12-2-11-25-21-20(16-5-6-16)13-27-23(30-21)29-18-7-9-19(10-8-18)31-15-24-14-28-31/h7-10,13-17H,1-6,11-12H2,(H,26,32)(H2,25,27,29,30)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1-mediated RANTES release in LPS-stimulated mouse RAW264.7 cells compound incubated for 30 mins prior LPS challenge measured after 6...


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Mus musculus)
BDBM50401899
PNG
(CHEMBL2207208)
Show SMILES Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1
Show InChI InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1-mediated RANTES release in LPS-stimulated mouse RAW264.7 cells compound incubated for 30 mins prior LPS challenge measured after 6...


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50401899
PNG
(CHEMBL2207208)
Show SMILES Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1
Show InChI InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM50401908
PNG
(CHEMBL2207180)
Show SMILES Fc1cccc(Nc2ncc(Br)c(NCCCNC(=O)C3CCCC3)n2)c1
Show InChI InChI=1S/C19H23BrFN5O/c20-16-12-24-19(25-15-8-3-7-14(21)11-15)26-17(16)22-9-4-10-23-18(27)13-5-1-2-6-13/h3,7-8,11-13H,1-2,4-6,9-10H2,(H,23,27)(H2,22,24,25,26)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of PDK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Mus musculus)
BDBM50401915
PNG
(CHEMBL2207212)
Show SMILES O=C(NCCCNc1nc(Nc2cnn(c2)C2CCC2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C22H31N7O/c30-21(16-4-1-5-16)24-11-3-10-23-20-19(15-8-9-15)13-25-22(28-20)27-17-12-26-29(14-17)18-6-2-7-18/h12-16,18H,1-11H2,(H,24,30)(H2,23,25,27,28)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1-mediated RANTES release in LPS-stimulated mouse RAW264.7 cells compound incubated for 30 mins prior LPS challenge measured after 6...


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Mus musculus)
BDBM50401913
PNG
(CHEMBL2207214)
Show SMILES O=C(NCCCNc1nc(Nc2cnn(c2)C2CCOCC2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C23H33N7O2/c31-22(17-3-1-4-17)25-10-2-9-24-21-20(16-5-6-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-11-32-12-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1-mediated RANTES release in LPS-stimulated mouse RAW264.7 cells compound incubated for 30 mins prior LPS challenge measured after 6...


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Mus musculus)
BDBM50401921
PNG
(CHEMBL2207205)
Show SMILES Cn1ncc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12
Show InChI InChI=1S/C23H29N7O/c1-30-20-9-8-18(12-17(20)13-27-30)28-23-26-14-19(15-6-7-15)21(29-23)24-10-3-11-25-22(31)16-4-2-5-16/h8-9,12-16H,2-7,10-11H2,1H3,(H,25,31)(H2,24,26,28,29)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1-mediated RANTES release in LPS-stimulated mouse RAW264.7 cells compound incubated for 30 mins prior LPS challenge measured after 6...


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401936
PNG
(CHEMBL2207183)
Show SMILES CC(=O)N1CCC(CC1)C(=O)NCCCNc1nc(Nc2cccc(F)c2)ncc1Br
Show InChI InChI=1S/C21H26BrFN6O2/c1-14(30)29-10-6-15(7-11-29)20(31)25-9-3-8-24-19-18(22)13-26-21(28-19)27-17-5-2-4-16(23)12-17/h2,4-5,12-13,15H,3,6-11H2,1H3,(H,25,31)(H2,24,26,27,28)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401941
PNG
(CHEMBL2207220)
Show SMILES Fc1cccc(Nc2ncc(Br)c(NCCCNC(=O)c3ccc(cc3)C(F)(F)F)n2)c1
Show InChI InChI=1S/C21H18BrF4N5O/c22-17-12-29-20(30-16-4-1-3-15(23)11-16)31-18(17)27-9-2-10-28-19(32)13-5-7-14(8-6-13)21(24,25)26/h1,3-8,11-12H,2,9-10H2,(H,28,32)(H2,27,29,30,31)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Mus musculus)
BDBM50401925
PNG
(CHEMBL2207201)
Show SMILES O=C(NCCCNc1nc(Nc2ccc(nc2)N2CCOCC2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C24H33N7O2/c32-23(18-3-1-4-18)26-10-2-9-25-22-20(17-5-6-17)16-28-24(30-22)29-19-7-8-21(27-15-19)31-11-13-33-14-12-31/h7-8,15-18H,1-6,9-14H2,(H,26,32)(H2,25,28,29,30)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1-mediated RANTES release in LPS-stimulated mouse RAW264.7 cells compound incubated for 30 mins prior LPS challenge measured after 6...


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Mus musculus)
BDBM50401902
PNG
(CHEMBL2207196)
Show SMILES CN(C)Cc1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1
Show InChI InChI=1S/C24H34N6O/c1-30(2)16-17-7-11-20(12-8-17)28-24-27-15-21(18-9-10-18)22(29-24)25-13-4-14-26-23(31)19-5-3-6-19/h7-8,11-12,15,18-19H,3-6,9-10,13-14,16H2,1-2H3,(H,26,31)(H2,25,27,28,29)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1-mediated RANTES release in LPS-stimulated mouse RAW264.7 cells compound incubated for 30 mins prior LPS challenge measured after 6...


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401938
PNG
(CHEMBL2207179)
Show SMILES Fc1cccc(Nc2ncc(Br)c(NCCCNC(=O)CCc3ccccc3)n2)c1
Show InChI InChI=1S/C22H23BrFN5O/c23-19-15-27-22(28-18-9-4-8-17(24)14-18)29-21(19)26-13-5-12-25-20(30)11-10-16-6-2-1-3-7-16/h1-4,6-9,14-15H,5,10-13H2,(H,25,30)(H2,26,27,28,29)
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n/an/a 560n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Mus musculus)
BDBM50401905
PNG
(CHEMBL2207192)
Show SMILES O=C(NCCCNc1nc(Nc2cccc(c2)-c2cnco2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C24H28N6O2/c31-23(17-4-1-5-17)27-11-3-10-26-22-20(16-8-9-16)13-28-24(30-22)29-19-7-2-6-18(12-19)21-14-25-15-32-21/h2,6-7,12-17H,1,3-5,8-11H2,(H,27,31)(H2,26,28,29,30)
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n/an/a 560n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1-mediated RANTES release in LPS-stimulated mouse RAW264.7 cells compound incubated for 30 mins prior LPS challenge measured after 6...


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Mus musculus)
BDBM50401922
PNG
(CHEMBL2207204)
Show SMILES O=C(NCCCNc1nc(Nc2ccc3CCN(Cc3c2)C2CC2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C27H36N6O/c34-26(20-3-1-4-20)29-13-2-12-28-25-24(19-5-6-19)16-30-27(32-25)31-22-8-7-18-11-14-33(23-9-10-23)17-21(18)15-22/h7-8,15-16,19-20,23H,1-6,9-14,17H2,(H,29,34)(H2,28,30,31,32)
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n/an/a 570n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1-mediated RANTES release in LPS-stimulated mouse RAW264.7 cells compound incubated for 30 mins prior LPS challenge measured after 6...


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Mus musculus)
BDBM50401904
PNG
(CHEMBL2207193)
Show SMILES O=C(NCCCNc1nc(Nc2cccc(c2)N2CCOCC2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C25H34N6O2/c32-24(19-4-1-5-19)27-11-3-10-26-23-22(18-8-9-18)17-28-25(30-23)29-20-6-2-7-21(16-20)31-12-14-33-15-13-31/h2,6-7,16-19H,1,3-5,8-15H2,(H,27,32)(H2,26,28,29,30)
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n/an/a 580n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1-mediated RANTES release in LPS-stimulated mouse RAW264.7 cells compound incubated for 30 mins prior LPS challenge measured after 6...


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM50401906
PNG
(CHEMBL2207187)
Show SMILES Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)c1
Show InChI InChI=1S/C21H26FN5O/c22-16-6-2-7-17(12-16)26-21-25-13-18(14-8-9-14)19(27-21)23-10-3-11-24-20(28)15-4-1-5-15/h2,6-7,12-15H,1,3-5,8-11H2,(H,24,28)(H2,23,25,26,27)
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n/an/a 580n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of PDK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50401900
PNG
(CHEMBL2207198)
Show SMILES O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)
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n/an/a 630n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Mus musculus)
BDBM50401901
PNG
(CHEMBL2207197)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1
Show InChI InChI=1S/C27H38N6O/c1-33-16-12-20(13-17-33)19-8-10-23(11-9-19)31-27-30-18-24(21-6-7-21)25(32-27)28-14-3-15-29-26(34)22-4-2-5-22/h8-11,18,20-22H,2-7,12-17H2,1H3,(H,29,34)(H2,28,30,31,32)
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n/an/a 660n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1-mediated RANTES release in LPS-stimulated mouse RAW264.7 cells compound incubated for 30 mins prior LPS challenge measured after 6...


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50401900
PNG
(CHEMBL2207198)
Show SMILES O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)
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n/an/a 700n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401931
PNG
(CHEMBL2207189)
Show SMILES Fc1ccccc1Nc1ncc(C2CC2)c(NCCCNC(=O)c2cccs2)n1
Show InChI InChI=1S/C21H22FN5OS/c22-16-5-1-2-6-17(16)26-21-25-13-15(14-8-9-14)19(27-21)23-10-4-11-24-20(28)18-7-3-12-29-18/h1-3,5-7,12-14H,4,8-11H2,(H,24,28)(H2,23,25,26,27)
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n/an/a 820n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Mus musculus)
BDBM50401926
PNG
(CHEMBL2207200)
Show SMILES O=C(NCCCNc1nc(Nc2cccnc2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C20H26N6O/c27-19(15-4-1-5-15)23-11-3-10-22-18-17(14-7-8-14)13-24-20(26-18)25-16-6-2-9-21-12-16/h2,6,9,12-15H,1,3-5,7-8,10-11H2,(H,23,27)(H2,22,24,25,26)
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n/an/a>1.00E+3n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1-mediated RANTES release in LPS-stimulated mouse RAW264.7 cells compound incubated for 30 mins prior LPS challenge measured after 6...


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401919
PNG
(CHEMBL2207207)
Show SMILES Cn1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)n1
Show InChI InChI=1S/C19H27N7O/c1-26-11-8-16(25-26)23-19-22-12-15(13-6-7-13)17(24-19)20-9-3-10-21-18(27)14-4-2-5-14/h8,11-14H,2-7,9-10H2,1H3,(H,21,27)(H2,20,22,23,24,25)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401933
PNG
(CHEMBL2207186)
Show SMILES Fc1cccc(Nc2ncc(CC3CC3)c(NCCCNC(=O)C3CCC3)n2)c1
Show InChI InChI=1S/C22H28FN5O/c23-18-6-2-7-19(13-18)27-22-26-14-17(12-15-8-9-15)20(28-22)24-10-3-11-25-21(29)16-4-1-5-16/h2,6-7,13-16H,1,3-5,8-12H2,(H,25,29)(H2,24,26,27,28)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401934
PNG
(CHEMBL2207185)
Show SMILES CC(C)c1cnc(Nc2cccc(F)c2)nc1NCCCNC(=O)C1CCC1
Show InChI InChI=1S/C21H28FN5O/c1-14(2)18-13-25-21(26-17-9-4-8-16(22)12-17)27-19(18)23-10-5-11-24-20(28)15-6-3-7-15/h4,8-9,12-15H,3,5-7,10-11H2,1-2H3,(H,24,28)(H2,23,25,26,27)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Mus musculus)
BDBM50401924
PNG
(CHEMBL2207202)
Show SMILES O=C(NCCCNc1nc(Nc2ccc(CN3CCCCC3)nc2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C26H37N7O/c34-25(20-6-4-7-20)28-13-5-12-27-24-23(19-8-9-19)17-30-26(32-24)31-21-10-11-22(29-16-21)18-33-14-2-1-3-15-33/h10-11,16-17,19-20H,1-9,12-15,18H2,(H,28,34)(H2,27,30,31,32)
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n/an/a 1.20E+3n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1-mediated RANTES release in LPS-stimulated mouse RAW264.7 cells compound incubated for 30 mins prior LPS challenge measured after 6...


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Mus musculus)
BDBM50401906
PNG
(CHEMBL2207187)
Show SMILES Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)c1
Show InChI InChI=1S/C21H26FN5O/c22-16-6-2-7-17(12-16)26-21-25-13-18(14-8-9-14)19(27-21)23-10-3-11-24-20(28)15-4-1-5-15/h2,6-7,12-15H,1,3-5,8-11H2,(H,24,28)(H2,23,25,26,27)
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n/an/a 1.30E+3n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1-mediated RANTES release in LPS-stimulated mouse RAW264.7 cells compound incubated for 30 mins prior LPS challenge measured after 6...


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase BRSK2


(Homo sapiens (Human))
BDBM50401900
PNG
(CHEMBL2207198)
Show SMILES O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)
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n/an/a 1.90E+3n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of BRSK2


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Mus musculus)
BDBM50401911
PNG
(CHEMBL2207216)
Show SMILES CC(C)N1CCC(CC1)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1
Show InChI InChI=1S/C26H40N8O/c1-18(2)33-13-9-22(10-14-33)34-17-21(15-30-34)31-26-29-16-23(19-7-8-19)24(32-26)27-11-4-12-28-25(35)20-5-3-6-20/h15-20,22H,3-14H2,1-2H3,(H,28,35)(H2,27,29,31,32)
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n/an/a 3.00E+3n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1-mediated RANTES release in LPS-stimulated mouse RAW264.7 cells compound incubated for 30 mins prior LPS challenge measured after 6...


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401923
PNG
(CHEMBL2207203)
Show SMILES O=C(NCCCNc1nc(Nc2cncnc2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C19H25N7O/c27-18(14-3-1-4-14)23-8-2-7-22-17-16(13-5-6-13)11-24-19(26-17)25-15-9-20-12-21-10-15/h9-14H,1-8H2,(H,23,27)(H2,22,24,25,26)
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n/an/a 3.20E+3n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401940
PNG
(CHEMBL2207221)
Show SMILES Fc1cccc(Nc2ncc(Br)c(NCCCNC(=O)c3cccc(c3)N3CCOCC3)n2)c1
Show InChI InChI=1S/C24H26BrFN6O2/c25-21-16-29-24(30-19-6-2-5-18(26)15-19)31-22(21)27-8-3-9-28-23(33)17-4-1-7-20(14-17)32-10-12-34-13-11-32/h1-2,4-7,14-16H,3,8-13H2,(H,28,33)(H2,27,29,30,31)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase BRSK2


(Homo sapiens (Human))
BDBM50401899
PNG
(CHEMBL2207208)
Show SMILES Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1
Show InChI InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)
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n/an/a 3.70E+3n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of BRSK2


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401937
PNG
(CHEMBL2207182)
Show SMILES CN1CCC(CC1)C(=O)NCCCNc1nc(Nc2cccc(F)c2)ncc1Br
Show InChI InChI=1S/C20H26BrFN6O/c1-28-10-6-14(7-11-28)19(29)24-9-3-8-23-18-17(21)13-25-20(27-18)26-16-5-2-4-15(22)12-16/h2,4-5,12-14H,3,6-11H2,1H3,(H,24,29)(H2,23,25,26,27)
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n/an/a 4.30E+3n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Mus musculus)
BDBM50401912
PNG
(CHEMBL2207215)
Show SMILES O=C(NCCCNc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C24H36N8O2/c33-23(19-3-1-4-19)26-8-2-7-25-22-21(18-5-6-18)16-27-24(30-22)29-20-15-28-32(17-20)10-9-31-11-13-34-14-12-31/h15-19H,1-14H2,(H,26,33)(H2,25,27,29,30)
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n/an/a 9.00E+3n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1-mediated RANTES release in LPS-stimulated mouse RAW264.7 cells compound incubated for 30 mins prior LPS challenge measured after 6...


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401930
PNG
(CHEMBL2207190)
Show SMILES Fc1ccc(CNc2ncc(C3CC3)c(NCCCNC(=O)c3cccs3)n2)cc1
Show InChI InChI=1S/C22H24FN5OS/c23-17-8-4-15(5-9-17)13-26-22-27-14-18(16-6-7-16)20(28-22)24-10-2-11-25-21(29)19-3-1-12-30-19/h1,3-5,8-9,12,14,16H,2,6-7,10-11,13H2,(H,25,29)(H2,24,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50401929
PNG
(CHEMBL2207191)
Show SMILES O=C(NCCCNc1nc(NC2CCCCC2)ncc1C1CC1)c1cccs1
Show InChI InChI=1S/C21H29N5OS/c27-20(18-8-4-13-28-18)23-12-5-11-22-19-17(15-9-10-15)14-24-21(26-19)25-16-6-2-1-3-7-16/h4,8,13-16H,1-3,5-7,9-12H2,(H,23,27)(H2,22,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50401900
PNG
(CHEMBL2207198)
Show SMILES O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)
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n/an/a 1.90E+4n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of MNK1


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50401899
PNG
(CHEMBL2207208)
Show SMILES Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1
Show InChI InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)
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n/an/a 2.00E+4n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of MNK1


Bioorg Med Chem Lett 22: 7169-73 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.063
BindingDB Entry DOI: 10.7270/Q2TT4S45
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%