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BDBM278270 2-(((3R,4S)-3-fluoro-1-(2-methoxyacetyl)piperidin-4-yl)oxy)-5-(4-((4-(1-formylpiperidin-4-yl)-3-methylphenyl)amino)-1,3,5-triazin-2-yl)benzonitrile::US10040781, Example 492::US10253019, Example 492

SMILES: COCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(C4CCN(CC4)C=O)c(C)c3)n2)[C@H](F)C1

InChI Key: InChIKey=ZTDINRKSUABPHP-HQOMKSGINA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 278270   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM278270
PNG
(2-(((3R,4S)-3-fluoro-1-(2-methoxyacetyl)piperidin-...)
Show SMILES COCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(C4CCN(CC4)C=O)c(C)c3)n2)[C@H](F)C1
Show InChI InChI=1/C31H34FN7O4/c1-20-13-24(4-5-25(20)21-7-10-38(19-40)11-8-21)36-31-35-18-34-30(37-31)22-3-6-27(23(14-22)15-33)43-28-9-12-39(16-26(28)32)29(41)17-42-2/h3-6,13-14,18-19,21,26,28H,7-12,16-17H2,1-2H3,(H,34,35,36,37)/t26-,28+/s2
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 2.00E+3n/an/an/an/a7.0n/a



Gilead Sciences Inc

US Patent


Assay Description
Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...


US Patent US10040781 (2018)


Article DOI: 10.1021/jm970366v
BindingDB Entry DOI: 10.7270/Q22V2J41
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278270
PNG
(2-(((3R,4S)-3-fluoro-1-(2-methoxyacetyl)piperidin-...)
Show SMILES COCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(C4CCN(CC4)C=O)c(C)c3)n2)[C@H](F)C1
Show InChI InChI=1/C31H34FN7O4/c1-20-13-24(4-5-25(20)21-7-10-38(19-40)11-8-21)36-31-35-18-34-30(37-31)22-3-6-27(23(14-22)15-33)43-28-9-12-39(16-26(28)32)29(41)17-42-2/h3-6,13-14,18-19,21,26,28H,7-12,16-17H2,1-2H3,(H,34,35,36,37)/t26-,28+/s2
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UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.00E+3n/an/an/an/a7.0n/a



Gilead Sciences Inc

US Patent


Assay Description
Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...


US Patent US10040781 (2018)


Article DOI: 10.1021/jm970366v
BindingDB Entry DOI: 10.7270/Q22V2J41
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM278270
PNG
(2-(((3R,4S)-3-fluoro-1-(2-methoxyacetyl)piperidin-...)
Show SMILES COCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(C4CCN(CC4)C=O)c(C)c3)n2)[C@H](F)C1
Show InChI InChI=1/C31H34FN7O4/c1-20-13-24(4-5-25(20)21-7-10-38(19-40)11-8-21)36-31-35-18-34-30(37-31)22-3-6-27(23(14-22)15-33)43-28-9-12-39(16-26(28)32)29(41)17-42-2/h3-6,13-14,18-19,21,26,28H,7-12,16-17H2,1-2H3,(H,34,35,36,37)/t26-,28+/s2
PDB

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GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 482n/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Enzymatic activity of hJAK2 was measured using a LANCE homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that monitors...


US Patent US10253019 (2019)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM278270
PNG
(2-(((3R,4S)-3-fluoro-1-(2-methoxyacetyl)piperidin-...)
Show SMILES COCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(C4CCN(CC4)C=O)c(C)c3)n2)[C@H](F)C1
Show InChI InChI=1/C31H34FN7O4/c1-20-13-24(4-5-25(20)21-7-10-38(19-40)11-8-21)36-31-35-18-34-30(37-31)22-3-6-27(23(14-22)15-33)43-28-9-12-39(16-26(28)32)29(41)17-42-2/h3-6,13-14,18-19,21,26,28H,7-12,16-17H2,1-2H3,(H,34,35,36,37)/t26-,28+/s2
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...


US Patent US10253019 (2019)

More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278270
PNG
(2-(((3R,4S)-3-fluoro-1-(2-methoxyacetyl)piperidin-...)
Show SMILES COCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(C4CCN(CC4)C=O)c(C)c3)n2)[C@H](F)C1
Show InChI InChI=1/C31H34FN7O4/c1-20-13-24(4-5-25(20)21-7-10-38(19-40)11-8-21)36-31-35-18-34-30(37-31)22-3-6-27(23(14-22)15-33)43-28-9-12-39(16-26(28)32)29(41)17-42-2/h3-6,13-14,18-19,21,26,28H,7-12,16-17H2,1-2H3,(H,34,35,36,37)/t26-,28+/s2
Reactome pathway
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UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



Gilead Sciences Inc

US Patent


Assay Description
Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...


US Patent US10253019 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM278270
PNG
(2-(((3R,4S)-3-fluoro-1-(2-methoxyacetyl)piperidin-...)
Show SMILES COCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(C4CCN(CC4)C=O)c(C)c3)n2)[C@H](F)C1
Show InChI InChI=1/C31H34FN7O4/c1-20-13-24(4-5-25(20)21-7-10-38(19-40)11-8-21)36-31-35-18-34-30(37-31)22-3-6-27(23(14-22)15-33)43-28-9-12-39(16-26(28)32)29(41)17-42-2/h3-6,13-14,18-19,21,26,28H,7-12,16-17H2,1-2H3,(H,34,35,36,37)/t26-,28+/s2
PDB

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PC cid
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US Patent
n/an/a 4.82E+5n/an/an/an/a7.5n/a



Gilead Sciences Inc

US Patent


Assay Description
Enzymatic activity of hJAK2 was measured using a LANCE homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that monitors...


US Patent US10040781 (2018)


Article DOI: 10.1021/jm970366v
BindingDB Entry DOI: 10.7270/Q22V2J41
More data for this
Ligand-Target Pair