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Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase TBK1' AND taxid = 10090   
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
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...


Citation and Details
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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n/an/a 81n/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...


Citation and Details
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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n/an/a 88n/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...


Citation and Details
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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n/an/a 90n/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...


Citation and Details
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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n/an/a 93n/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...


Citation and Details
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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n/an/a 130n/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...


Citation and Details
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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n/an/a 140n/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...


Citation and Details
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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n/an/a 150n/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...


Citation and Details
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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n/an/a 170n/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...


Citation and Details
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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n/an/a 220n/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...


Citation and Details
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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n/an/a 280n/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...


Citation and Details
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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n/an/a 380n/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...


Citation and Details
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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n/an/a 490n/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...


Citation and Details
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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n/an/a 550n/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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


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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...


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair