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SMILES: CN(C)C\C=C\C(=O)N1CC(COc2cc(cn3cncc23)-c2ccc(O)c(F)c2)C1

InChI Key: InChIKey=SZSUODVWKTUPAX-ONEGZZNKSA-N

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 = 475629   
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
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM475629
PNG
(US10851102, Example 22 | US11339160, Ex No. 22)
Show SMILES CN(C)C\C=C\C(=O)N1CC(COc2cc(cn3cncc23)-c2ccc(O)c(F)c2)C1
Show InChI InChI=1S/C23H25FN4O3/c1-26(2)7-3-4-23(30)27-11-16(12-27)14-31-22-9-18(13-28-15-25-10-20(22)28)17-5-6-21(29)19(24)8-17/h3-6,8-10,13,15-16,29H,7,11-12,14H2,1-2H3/b4-3+
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PC cid
PC sid
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US Patent
0.550n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent




US Patent US10851102 (2020)


BindingDB Entry DOI: 10.7270/Q2N87DV3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM475629
PNG
(US10851102, Example 22 | US11339160, Ex No. 22)
Show SMILES CN(C)C\C=C\C(=O)N1CC(COc2cc(cn3cncc23)-c2ccc(O)c(F)c2)C1
Show InChI InChI=1S/C23H25FN4O3/c1-26(2)7-3-4-23(30)27-11-16(12-27)14-31-22-9-18(13-28-15-25-10-20(22)28)17-5-6-21(29)19(24)8-17/h3-6,8-10,13,15-16,29H,7,11-12,14H2,1-2H3/b4-3+
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0.550n/an/an/an/an/an/an/an/a


TBA

Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CF9T9W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM475629
PNG
(US10851102, Example 22 | US11339160, Ex No. 22)
Show SMILES CN(C)C\C=C\C(=O)N1CC(COc2cc(cn3cncc23)-c2ccc(O)c(F)c2)C1
Show InChI InChI=1S/C23H25FN4O3/c1-26(2)7-3-4-23(30)27-11-16(12-27)14-31-22-9-18(13-28-15-25-10-20(22)28)17-5-6-21(29)19(24)8-17/h3-6,8-10,13,15-16,29H,7,11-12,14H2,1-2H3/b4-3+
PDB

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>100n/an/an/an/an/an/an/an/a


TBA

Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CF9T9W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM475629
PNG
(US10851102, Example 22 | US11339160, Ex No. 22)
Show SMILES CN(C)C\C=C\C(=O)N1CC(COc2cc(cn3cncc23)-c2ccc(O)c(F)c2)C1
Show InChI InChI=1S/C23H25FN4O3/c1-26(2)7-3-4-23(30)27-11-16(12-27)14-31-22-9-18(13-28-15-25-10-20(22)28)17-5-6-21(29)19(24)8-17/h3-6,8-10,13,15-16,29H,7,11-12,14H2,1-2H3/b4-3+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
>100n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10851102 (2020)


BindingDB Entry DOI: 10.7270/Q2N87DV3
More data for this
Ligand-Target Pair