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SMILES: Cc1n[nH]c(n1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1

InChI Key:

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 = 278229   
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))
BDBM278229
PNG
(2-(((3R,4S)-3-fluoro-1-(3-methyl-1H-1,2,4-triazole...)
Show SMILES Cc1n[nH]c(n1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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)


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))
BDBM278229
PNG
(2-(((3R,4S)-3-fluoro-1-(3-methyl-1H-1,2,4-triazole...)
Show SMILES Cc1n[nH]c(n1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1 |r|
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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)


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


(Homo sapiens (Human))
BDBM278229
PNG
(2-(((3R,4S)-3-fluoro-1-(3-methyl-1H-1,2,4-triazole...)
Show SMILES Cc1n[nH]c(n1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1 |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 90n/an/an/an/an/an/a



University of Rome La Sapienza



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


J Med Chem 50: 6554-69 (2007)


BindingDB Entry DOI: 10.7270/Q2Q52RXT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM278229
PNG
(2-(((3R,4S)-3-fluoro-1-(3-methyl-1H-1,2,4-triazole...)
Show SMILES Cc1n[nH]c(n1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



University of Rome La Sapienza



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


J Med Chem 50: 6554-69 (2007)


BindingDB Entry DOI: 10.7270/Q2Q52RXT
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM278229
PNG
(2-(((3R,4S)-3-fluoro-1-(3-methyl-1H-1,2,4-triazole...)
Show SMILES Cc1n[nH]c(n1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1 |r|
Reactome pathway
KEGG

UniProtKB/SwissProt

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



University of Rome La Sapienza



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


J Med Chem 50: 6554-69 (2007)


BindingDB Entry DOI: 10.7270/Q2Q52RXT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM278229
PNG
(2-(((3R,4S)-3-fluoro-1-(3-methyl-1H-1,2,4-triazole...)
Show SMILES Cc1n[nH]c(n1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1 |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.00E+4n/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)


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