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Compile Data Set for Download or QSAR

Found 1428 hits Enz. Inhib. hit(s) with Target = 'IKK epsilon/TBK1' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of TBK1


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM50224883
PNG
(7-chloro-3-oxo-8-[(thiazol-5-ylmethyl)-amino]-11,1...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Show InChI InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29)
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>1.53E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TBK1


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM153732
PNG
(K252a)
Show SMILES COC(=O)[C@]1(O)CC2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18?,26-,27+/m0/s1
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n/an/a<1n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM144137
PNG
(US8969335, A74)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cc(ccn2)C2CCNCC2)c1
Show InChI InChI=1S/C27H29N5O2/c28-18-23-15-20(1-2-25(23)34-24-7-13-33-14-8-24)22-6-12-31-27(17-22)32-26-16-21(5-11-30-26)19-3-9-29-10-4-19/h1-2,5-6,11-12,15-17,19,24,29H,3-4,7-10,13-14H2,(H,30,31,32)
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n/an/a 1n/an/an/an/an/an/a



MERCK PATENT GmbH

US Patent


Assay Description
1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...


US Patent US8969335 (2015)

More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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n/an/a>1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of IKKi


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM144220
PNG
(US8969335, A45)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(CCC3CCNCC3)c2)n1
Show InChI InChI=1S/C26H31N7O2/c27-16-21-15-20(1-2-25(21)35-23-7-13-34-14-8-23)24-5-11-29-26(32-24)31-22-17-30-33(18-22)12-6-19-3-9-28-10-4-19/h1-2,5,11,15,17-19,23,28H,3-4,6-10,12-14H2,(H,29,31,32)
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n/an/a 2n/an/an/an/an/an/a



MERCK PATENT GmbH

US Patent


Assay Description
1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...


US Patent US8969335 (2015)

More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM144220
PNG
(US8969335, A45)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(CCC3CCNCC3)c2)n1
Show InChI InChI=1S/C26H31N7O2/c27-16-21-15-20(1-2-25(21)35-23-7-13-34-14-8-23)24-5-11-29-26(32-24)31-22-17-30-33(18-22)12-6-19-3-9-28-10-4-19/h1-2,5,11,15,17-19,23,28H,3-4,6-10,12-14H2,(H,29,31,32)
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MERCK PATENT GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)

More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM144137
PNG
(US8969335, A74)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cc(ccn2)C2CCNCC2)c1
Show InChI InChI=1S/C27H29N5O2/c28-18-23-15-20(1-2-25(23)34-24-7-13-33-14-8-24)22-6-12-31-27(17-22)32-26-16-21(5-11-30-26)19-3-9-29-10-4-19/h1-2,5-6,11-12,15-17,19,24,29H,3-4,7-10,13-14H2,(H,30,31,32)
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MERCK PATENT GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)

More data for this
Ligand-Target Pair
IKK epsilon/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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n/an/a 2n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/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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n/an/a 2n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/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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n/an/a 2n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of TBK1 by radiometry


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/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


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM153755
PNG
(ROCHE screening, 77)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CC[C@H](O)C3)c12)[N+]([O-])=O
Show InChI InChI=1/C18H18N4O5/c1-27-15-4-6-19-13(15)8-11-16-12(20-18(11)24)2-3-14(22(25)26)17(16)21-7-5-10(23)9-21/h2-4,6,8,10,19,23H,5,7,9H2,1H3,(H,20,24)/b11-8-/t10-/s2
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Technical University of Dortmund



Assay Description
IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM144138
PNG
(US8969335, A75)
Show SMILES OCCn1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1
Show InChI InChI=1S/C21H22N6O3/c22-12-16-11-15(1-2-20(16)30-18-4-9-29-10-5-18)19-3-6-23-21(26-19)25-17-13-24-27(14-17)7-8-28/h1-3,6,11,13-14,18,28H,4-5,7-10H2,(H,23,25,26)
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n/an/a 3n/an/an/an/an/an/a



MERCK PATENT GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)

More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM144164
PNG
(US8969335, A101)
Show SMILES O[C@H]1CC[C@@H](CC1)n1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1
Show InChI InChI=1/C25H28N6O3/c26-14-18-13-17(1-6-24(18)34-22-8-11-33-12-9-22)23-7-10-27-25(30-23)29-19-15-28-31(16-19)20-2-4-21(32)5-3-20/h1,6-7,10,13,15-16,20-22,32H,2-5,8-9,11-12H2,(H,27,29,30)/t20-,21-
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MERCK PATENT GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)

More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM50379339
PNG
(CHEMBL2011940)
Show SMILES Nc1cccc(c1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CCC3)c2[nH]1
Show InChI InChI=1S/C20H23BrN6O/c21-15-11-25-19-17(26-18(27-19)13-6-2-7-14(22)10-13)16(15)23-8-3-9-24-20(28)12-4-1-5-12/h2,6-7,10-12H,1,3-5,8-9,22H2,(H,24,28)(H2,23,25,26,27)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of recombinant TBK1 using 5FAM-AhxKRRAL(ps)VASLPGL as substrate by microfluidic mobility shift assay


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/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


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/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


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM144130
PNG
(US8969335, A67)
Show SMILES OC[C@H]1C[C@@H]1Cn1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1
Show InChI InChI=1/C24H26N6O3/c25-11-17-9-16(1-2-23(17)33-21-4-7-32-8-5-21)22-3-6-26-24(29-22)28-20-12-27-30(14-20)13-18-10-19(18)15-31/h1-3,6,9,12,14,18-19,21,31H,4-5,7-8,10,13,15H2,(H,26,28,29)/t18-,19-/s2
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n/an/a 4n/an/an/an/an/an/a



MERCK PATENT GmbH

US Patent


Assay Description
1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...


US Patent US8969335 (2015)

More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM144138
PNG
(US8969335, A75)
Show SMILES OCCn1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1
Show InChI InChI=1S/C21H22N6O3/c22-12-16-11-15(1-2-20(16)30-18-4-9-29-10-5-18)19-3-6-23-21(26-19)25-17-13-24-27(14-17)7-8-28/h1-3,6,11,13-14,18,28H,4-5,7-10H2,(H,23,25,26)
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MERCK PATENT GmbH

US Patent


Assay Description
1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...


US Patent US8969335 (2015)

More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM50379357
PNG
(CHEMBL2011933)
Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CCC3)c2[nH]1
Show InChI InChI=1S/C21H24BrN5O2/c1-29-15-8-6-13(7-9-15)19-26-18-17(16(22)12-25-20(18)27-19)23-10-3-11-24-21(28)14-4-2-5-14/h6-9,12,14H,2-5,10-11H2,1H3,(H,24,28)(H2,23,25,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length TBK1 (unknown origin) using CK1tide as substrate by microfluidic mobility shift assay


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM50379356
PNG
(CHEMBL2011932)
Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3(CN)CC3)c2[nH]1
Show InChI InChI=1S/C21H25BrN6O2/c1-30-14-5-3-13(4-6-14)18-27-17-16(15(22)11-26-19(17)28-18)24-9-2-10-25-20(29)21(12-23)7-8-21/h3-6,11H,2,7-10,12,23H2,1H3,(H,25,29)(H2,24,26,27,28)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of recombinant TBK1 using 5FAM-AhxKRRAL(ps)VASLPGL as substrate by microfluidic mobility shift assay


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM50379357
PNG
(CHEMBL2011933)
Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CCC3)c2[nH]1
Show InChI InChI=1S/C21H24BrN5O2/c1-29-15-8-6-13(7-9-15)19-26-18-17(16(22)12-25-20(18)27-19)23-10-3-11-24-21(28)14-4-2-5-14/h6-9,12,14H,2-5,10-11H2,1H3,(H,24,28)(H2,23,25,26,27)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of recombinant TBK1 using 5FAM-AhxKRRAL(ps)VASLPGL as substrate by microfluidic mobility shift assay


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM50379363
PNG
(CHEMBL2011941)
Show SMILES Brc1cnc2nc([nH]c2c1NCCCNC(=O)C1CCC1)-c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C27H35BrN6O2/c28-22-18-31-26-24(23(22)29-12-5-13-30-27(35)20-6-4-7-20)32-25(33-26)19-8-10-21(11-9-19)36-17-16-34-14-2-1-3-15-34/h8-11,18,20H,1-7,12-17H2,(H,30,35)(H2,29,31,32,33)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of recombinant TBK1 using 5FAM-AhxKRRAL(ps)VASLPGL as substrate by microfluidic mobility shift assay


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM50379364
PNG
(CHEMBL2011942)
Show SMILES NC(=O)c1cnc2nc([nH]c2c1NCCCNC(=O)C1CCC1)-c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H37N7O3/c29-25(36)22-18-32-27-24(23(22)30-12-5-13-31-28(37)20-6-4-7-20)33-26(34-27)19-8-10-21(11-9-19)38-17-16-35-14-2-1-3-15-35/h8-11,18,20H,1-7,12-17H2,(H2,29,36)(H,31,37)(H2,30,32,33,34)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of recombinant TBK1 using 5FAM-AhxKRRAL(ps)VASLPGL as substrate by microfluidic mobility shift assay


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM50379339
PNG
(CHEMBL2011940)
Show SMILES Nc1cccc(c1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CCC3)c2[nH]1
Show InChI InChI=1S/C20H23BrN6O/c21-15-11-25-19-17(26-18(27-19)13-6-2-7-14(22)10-13)16(15)23-8-3-9-24-20(28)12-4-1-5-12/h2,6-7,10-12H,1,3-5,8-9,22H2,(H,24,28)(H2,23,25,26,27)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Ikkepsilon using 5FAM-AKELDQGSLCTpSFVGTLQ-NH2 as substrate by microfluidic mobility shift assay


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/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


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/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


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM144215
PNG
(US8969335, A40)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(c2)C2CCNC2)n1
Show InChI InChI=1/C23H25N7O2/c24-12-17-11-16(1-2-22(17)32-20-5-9-31-10-6-20)21-4-8-26-23(29-21)28-18-13-27-30(15-18)19-3-7-25-14-19/h1-2,4,8,11,13,15,19-20,25H,3,5-7,9-10,14H2,(H,26,28,29)
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n/an/a 5n/an/an/an/an/an/a



MERCK PATENT GmbH

US Patent


Assay Description
1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...


US Patent US8969335 (2015)

More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM144164
PNG
(US8969335, A101)
Show SMILES O[C@H]1CC[C@@H](CC1)n1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1
Show InChI InChI=1/C25H28N6O3/c26-14-18-13-17(1-6-24(18)34-22-8-11-33-12-9-22)23-7-10-27-25(30-23)29-19-15-28-31(16-19)20-2-4-21(32)5-3-20/h1,6-7,10,13,15-16,20-22,32H,2-5,8-9,11-12H2,(H,27,29,30)/t20-,21-
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MERCK PATENT GmbH

US Patent


Assay Description
1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...


US Patent US8969335 (2015)

More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM144219
PNG
(US8969335, A44)
Show SMILES FC(F)Cn1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1
Show InChI InChI=1S/C21H20F2N6O2/c22-20(23)13-29-12-16(11-26-29)27-21-25-6-3-18(28-21)14-1-2-19(15(9-14)10-24)31-17-4-7-30-8-5-17/h1-3,6,9,11-12,17,20H,4-5,7-8,13H2,(H,25,27,28)
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MERCK PATENT GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)

More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM144141
PNG
(US8969335, A78)
Show SMILES CN1CCC(CC1)c1ccnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1
Show InChI InChI=1S/C28H31N5O2/c1-33-12-6-20(7-13-33)22-4-10-30-27(17-22)32-28-18-23(5-11-31-28)21-2-3-26(24(16-21)19-29)35-25-8-14-34-15-9-25/h2-5,10-11,16-18,20,25H,6-9,12-15H2,1H3,(H,30,31,32)
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MERCK PATENT GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)

More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM144161
PNG
(US8969335, A98)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnc(cn2)C2CCOCC2)c1
Show InChI InChI=1S/C26H27N5O3/c27-15-21-13-19(1-2-24(21)34-22-6-11-33-12-7-22)20-3-8-28-25(14-20)31-26-17-29-23(16-30-26)18-4-9-32-10-5-18/h1-3,8,13-14,16-18,22H,4-7,9-12H2,(H,28,30,31)
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MERCK PATENT GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)

More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM50379358
PNG
(CHEMBL2011934)
Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCN(C)C(=O)C3CCC3)c2[nH]1
Show InChI InChI=1S/C22H26BrN5O2/c1-28(22(29)15-5-3-6-15)12-4-11-24-18-17(23)13-25-21-19(18)26-20(27-21)14-7-9-16(30-2)10-8-14/h7-10,13,15H,3-6,11-12H2,1-2H3,(H2,24,25,26,27)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of recombinant TBK1 using 5FAM-AhxKRRAL(ps)VASLPGL as substrate by microfluidic mobility shift assay


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM50379356
PNG
(CHEMBL2011932)
Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3(CN)CC3)c2[nH]1
Show InChI InChI=1S/C21H25BrN6O2/c1-30-14-5-3-13(4-6-14)18-27-17-16(15(22)11-26-19(17)28-18)24-9-2-10-25-20(29)21(12-23)7-8-21/h3-6,11H,2,7-10,12,23H2,1H3,(H,25,29)(H2,24,26,27,28)
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Ikkepsilon using 5FAM-AKELDQGSLCTpSFVGTLQ-NH2 as substrate by microfluidic mobility shift assay


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM144209
PNG
(US8969335, A34)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cn[nH]c2)n1
Show InChI InChI=1S/C19H18N6O2/c20-10-14-9-13(1-2-18(14)27-16-4-7-26-8-5-16)17-3-6-21-19(25-17)24-15-11-22-23-12-15/h1-3,6,9,11-12,16H,4-5,7-8H2,(H,22,23)(H,21,24,25)
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MERCK PATENT GmbH

US Patent


Assay Description
1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...


US Patent US8969335 (2015)

More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM144127
PNG
(US8969335, A64)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(c2)C2CCNCC2)n1
Show InChI InChI=1S/C24H27N7O2/c25-14-18-13-17(1-2-23(18)33-21-6-11-32-12-7-21)22-5-10-27-24(30-22)29-19-15-28-31(16-19)20-3-8-26-9-4-20/h1-2,5,10,13,15-16,20-21,26H,3-4,6-9,11-12H2,(H,27,29,30)
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MERCK PATENT GmbH

US Patent


Assay Description
1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...


US Patent US8969335 (2015)

More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM144134
PNG
(US8969335, A71)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ccc(nn2)C2CCNCC2)c1
Show InChI InChI=1S/C26H28N6O2/c27-17-21-15-19(1-3-24(21)34-22-8-13-33-14-9-22)20-7-12-29-26(16-20)30-25-4-2-23(31-32-25)18-5-10-28-11-6-18/h1-4,7,12,15-16,18,22,28H,5-6,8-11,13-14H2,(H,29,30,32)
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MERCK PATENT GmbH

US Patent


Assay Description
1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...


US Patent US8969335 (2015)

More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM144141
PNG
(US8969335, A78)
Show SMILES CN1CCC(CC1)c1ccnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1
Show InChI InChI=1S/C28H31N5O2/c1-33-12-6-20(7-13-33)22-4-10-30-27(17-22)32-28-18-23(5-11-31-28)21-2-3-26(24(16-21)19-29)35-25-8-14-34-15-9-25/h2-5,10-11,16-18,20,25H,6-9,12-15H2,1H3,(H,30,31,32)
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MERCK PATENT GmbH

US Patent


Assay Description
1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...


US Patent US8969335 (2015)

More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM50379357
PNG
(CHEMBL2011933)
Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CCC3)c2[nH]1
Show InChI InChI=1S/C21H24BrN5O2/c1-29-15-8-6-13(7-9-15)19-26-18-17(16(22)12-25-20(18)27-19)23-10-3-11-24-21(28)14-4-2-5-14/h6-9,12,14H,2-5,10-11H2,1H3,(H,24,28)(H2,23,25,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of TBK1 in HEK293 cells after 4.5 hrs by ISRE-luciferase reporter gene assay in presence of poly I:C


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM144209
PNG
(US8969335, A34)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cn[nH]c2)n1
Show InChI InChI=1S/C19H18N6O2/c20-10-14-9-13(1-2-18(14)27-16-4-7-26-8-5-16)17-3-6-21-19(25-17)24-15-11-22-23-12-15/h1-3,6,9,11-12,16H,4-5,7-8H2,(H,22,23)(H,21,24,25)
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MERCK PATENT GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)

More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM144210
PNG
(US8969335, A35)
Show SMILES COCCn1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1
Show InChI InChI=1S/C22H24N6O3/c1-29-11-8-28-15-18(14-25-28)26-22-24-7-4-20(27-22)16-2-3-21(17(12-16)13-23)31-19-5-9-30-10-6-19/h2-4,7,12,14-15,19H,5-6,8-11H2,1H3,(H,24,26,27)
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MERCK PATENT GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)

More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM144127
PNG
(US8969335, A64)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(c2)C2CCNCC2)n1
Show InChI InChI=1S/C24H27N7O2/c25-14-18-13-17(1-2-23(18)33-21-6-11-32-12-7-21)22-5-10-27-24(30-22)29-19-15-28-31(16-19)20-3-8-26-9-4-20/h1-2,5,10,13,15-16,20-21,26H,3-4,6-9,11-12H2,(H,27,29,30)
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MERCK PATENT GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)

More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM144130
PNG
(US8969335, A67)
Show SMILES OC[C@H]1C[C@@H]1Cn1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1
Show InChI InChI=1/C24H26N6O3/c25-11-17-9-16(1-2-23(17)33-21-4-7-32-8-5-21)22-3-6-26-24(29-22)28-20-12-27-30(14-20)13-18-10-19(18)15-31/h1-3,6,9,12,14,18-19,21,31H,4-5,7-8,10,13,15H2,(H,26,28,29)/t18-,19-/s2
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MERCK PATENT GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)

More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM144162
PNG
(US8969335, A99)
Show SMILES OCc1cnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1
Show InChI InChI=1S/C22H21N5O3/c23-11-17-9-15(1-2-20(17)30-19-4-7-29-8-5-19)16-3-6-24-21(10-16)27-22-13-25-18(14-28)12-26-22/h1-3,6,9-10,12-13,19,28H,4-5,7-8,14H2,(H,24,26,27)
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MERCK PATENT GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...


US Patent US8969335 (2015)

More data for this
Ligand-Target Pair
IKK epsilon/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


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/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


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/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


Citation and Details
More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (human))
BDBM144135
PNG
(US8969335, A72)
Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnc(cn2)C2CCNCC2)c1
Show InChI InChI=1S/C26H28N6O2/c27-15-21-13-19(1-2-24(21)34-22-6-11-33-12-7-22)20-5-10-29-25(14-20)32-26-17-30-23(16-31-26)18-3-8-28-9-4-18/h1-2,5,10,13-14,16-18,22,28H,3-4,6-9,11-12H2,(H,29,31,32)
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MERCK PATENT GmbH

US Patent


Assay Description
1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...


US Patent US8969335 (2015)

More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM50448992
PNG
(CHEMBL3125721)
Show SMILES COc1ccc(cc1)-c1nc2ncc(-c3nc(cs3)C(N)=O)c(NCCCNC(=O)C3CCCC3)c2[nH]1
Show InChI InChI=1S/C26H29N7O3S/c1-36-17-9-7-15(8-10-17)23-32-21-20(28-11-4-12-29-25(35)16-5-2-3-6-16)18(13-30-24(21)33-23)26-31-19(14-37-26)22(27)34/h7-10,13-14,16H,2-6,11-12H2,1H3,(H2,27,34)(H,29,35)(H2,28,30,32,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of TBK1 in HEK293 cells after 4.5 hrs by ISRE-luciferase reporter gene assay in presence of poly I:C


Citation and Details
More data for this
Ligand-Target Pair
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