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BDBM278157 2-(((3R,4S)-3-fluoro-1-((S)-2-hydroxypropanoyl)piperidin-4-yl)oxy)-5-(4-((6-(4-(oxetan-3-yl)piperazin-1-yl)pyridin-3-yl)amino)-1,3,5-triazin-2-yl)benzonitrile::US10040781, Example 379::US10253019, Example 379

SMILES: C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(nc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1

InChI Key: InChIKey=VEMSSQHOLIBJEZ-YGMIRDLMNA-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 = 278157   
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))
BDBM278157
PNG
(2-(((3R,4S)-3-fluoro-1-((S)-2-hydroxypropanoyl)pip...)
Show SMILES C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(nc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1
Show InChI InChI=1/C30H34FN9O4/c1-19(41)29(42)40-7-6-26(24(31)15-40)44-25-4-2-20(12-21(25)13-32)28-34-18-35-30(37-28)36-22-3-5-27(33-14-22)39-10-8-38(9-11-39)23-16-43-17-23/h2-5,12,14,18-19,23-24,26,41H,6-11,15-17H2,1H3,(H,34,35,36,37)/t19-,24+,26-/s2
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 5.00E+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))
BDBM278157
PNG
(2-(((3R,4S)-3-fluoro-1-((S)-2-hydroxypropanoyl)pip...)
Show SMILES C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(nc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1
Show InChI InChI=1/C30H34FN9O4/c1-19(41)29(42)40-7-6-26(24(31)15-40)44-25-4-2-20(12-21(25)13-32)28-34-18-35-30(37-28)36-22-3-5-27(33-14-22)39-10-8-38(9-11-39)23-16-43-17-23/h2-5,12,14,18-19,23-24,26,41H,6-11,15-17H2,1H3,(H,34,35,36,37)/t19-,24+,26-/s2
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GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 3.00E+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))
BDBM278157
PNG
(2-(((3R,4S)-3-fluoro-1-((S)-2-hydroxypropanoyl)pip...)
Show SMILES C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(nc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1
Show InChI InChI=1/C30H34FN9O4/c1-19(41)29(42)40-7-6-26(24(31)15-40)44-25-4-2-20(12-21(25)13-32)28-34-18-35-30(37-28)36-22-3-5-27(33-14-22)39-10-8-38(9-11-39)23-16-43-17-23/h2-5,12,14,18-19,23-24,26,41H,6-11,15-17H2,1H3,(H,34,35,36,37)/t19-,24+,26-/s2
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+3n/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))
BDBM278157
PNG
(2-(((3R,4S)-3-fluoro-1-((S)-2-hydroxypropanoyl)pip...)
Show SMILES C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(nc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1
Show InChI InChI=1/C30H34FN9O4/c1-19(41)29(42)40-7-6-26(24(31)15-40)44-25-4-2-20(12-21(25)13-32)28-34-18-35-30(37-28)36-22-3-5-27(33-14-22)39-10-8-38(9-11-39)23-16-43-17-23/h2-5,12,14,18-19,23-24,26,41H,6-11,15-17H2,1H3,(H,34,35,36,37)/t19-,24+,26-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/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))
BDBM278157
PNG
(2-(((3R,4S)-3-fluoro-1-((S)-2-hydroxypropanoyl)pip...)
Show SMILES C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(nc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1
Show InChI InChI=1/C30H34FN9O4/c1-19(41)29(42)40-7-6-26(24(31)15-40)44-25-4-2-20(12-21(25)13-32)28-34-18-35-30(37-28)36-22-3-5-27(33-14-22)39-10-8-38(9-11-39)23-16-43-17-23/h2-5,12,14,18-19,23-24,26,41H,6-11,15-17H2,1H3,(H,34,35,36,37)/t19-,24+,26-/s2
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UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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))
BDBM278157
PNG
(2-(((3R,4S)-3-fluoro-1-((S)-2-hydroxypropanoyl)pip...)
Show SMILES C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(nc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1
Show InChI InChI=1/C30H34FN9O4/c1-19(41)29(42)40-7-6-26(24(31)15-40)44-25-4-2-20(12-21(25)13-32)28-34-18-35-30(37-28)36-22-3-5-27(33-14-22)39-10-8-38(9-11-39)23-16-43-17-23/h2-5,12,14,18-19,23-24,26,41H,6-11,15-17H2,1H3,(H,34,35,36,37)/t19-,24+,26-/s2
PDB

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UniProtKB/SwissProt

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GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.00E+6n/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