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BDBM276850 US10072001, Example 36::US10259811, Example 36

SMILES: CC(C)(C)OC(=O)N1CC=C(C1)c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N

InChI Key: InChIKey=LPISIKGCJPHMTC-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 276850   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276850
PNG
(US10072001, Example 36 | US10259811, Example 36)
Show SMILES CC(C)(C)OC(=O)N1CC=C(C1)c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N
Show InChI InChI=1S/C28H30N4O4/c1-28(2,3)36-27(33)32-11-7-19(17-32)24-15-23-22(6-10-30-26(23)31-24)18-4-5-25(20(14-18)16-29)35-21-8-12-34-13-9-21/h4-7,10,14-15,21H,8-9,11-13,17H2,1-3H3,(H,30,31)
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UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 79n/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 US10072001 (2018)


BindingDB Entry DOI: 10.7270/Q27H1MMV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM276850
PNG
(US10072001, Example 36 | US10259811, Example 36)
Show SMILES CC(C)(C)OC(=O)N1CC=C(C1)c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N
Show InChI InChI=1S/C28H30N4O4/c1-28(2,3)36-27(33)32-11-7-19(17-32)24-15-23-22(6-10-30-26(23)31-24)18-4-5-25(20(14-18)16-29)35-21-8-12-34-13-9-21/h4-7,10,14-15,21H,8-9,11-13,17H2,1-3H3,(H,30,31)
PDB

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UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 38.4n/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 US10259811 (2019)


BindingDB Entry DOI: 10.7270/Q2ZG6VKC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM276850
PNG
(US10072001, Example 36 | US10259811, Example 36)
Show SMILES CC(C)(C)OC(=O)N1CC=C(C1)c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N
Show InChI InChI=1S/C28H30N4O4/c1-28(2,3)36-27(33)32-11-7-19(17-32)24-15-23-22(6-10-30-26(23)31-24)18-4-5-25(20(14-18)16-29)35-21-8-12-34-13-9-21/h4-7,10,14-15,21H,8-9,11-13,17H2,1-3H3,(H,30,31)
Reactome pathway
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UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 79n/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 US10259811 (2019)


BindingDB Entry DOI: 10.7270/Q2ZG6VKC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM276850
PNG
(US10072001, Example 36 | US10259811, Example 36)
Show SMILES CC(C)(C)OC(=O)N1CC=C(C1)c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N
Show InChI InChI=1S/C28H30N4O4/c1-28(2,3)36-27(33)32-11-7-19(17-32)24-15-23-22(6-10-30-26(23)31-24)18-4-5-25(20(14-18)16-29)35-21-8-12-34-13-9-21/h4-7,10,14-15,21H,8-9,11-13,17H2,1-3H3,(H,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 38.4n/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 US10072001 (2018)


BindingDB Entry DOI: 10.7270/Q27H1MMV
More data for this
Ligand-Target Pair