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BDBM286338 US9518052, Example 148

SMILES: CN(c1ccccc1CNc1nc(cc(N)c1C=N)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O

InChI Key: InChIKey=IBZKOYSOUCDPJP-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 286338   
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
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM286338
PNG
(US9518052, Example 148)
Show SMILES CN(c1ccccc1CNc1nc(cc(N)c1C=N)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C23H23F4N5O3S/c1-32(36(2,34)35)20-6-4-3-5-13(20)12-30-22-16(11-28)18(29)9-19(31-22)15-8-17(24)21(33)7-14(15)10-23(25,26)27/h3-9,11,28,33H,10,12H2,1-2H3,(H3,29,30,31)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.80n/an/an/an/a7.425



Pfizer Inc

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)


BindingDB Entry DOI: 10.7270/Q2736SZ5
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM286338
PNG
(US9518052, Example 148)
Show SMILES CN(c1ccccc1CNc1nc(cc(N)c1C=N)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C23H23F4N5O3S/c1-32(36(2,34)35)20-6-4-3-5-13(20)12-30-22-16(11-28)18(29)9-19(31-22)15-8-17(24)21(33)7-14(15)10-23(25,26)27/h3-9,11,28,33H,10,12H2,1-2H3,(H3,29,30,31)
PDB

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 146n/an/an/an/a7.425



Pfizer Inc

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)


BindingDB Entry DOI: 10.7270/Q2736SZ5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM286338
PNG
(US9518052, Example 148)
Show SMILES CN(c1ccccc1CNc1nc(cc(N)c1C=N)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C23H23F4N5O3S/c1-32(36(2,34)35)20-6-4-3-5-13(20)12-30-22-16(11-28)18(29)9-19(31-22)15-8-17(24)21(33)7-14(15)10-23(25,26)27/h3-9,11,28,33H,10,12H2,1-2H3,(H3,29,30,31)
PDB

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UniProtKB/SwissProt
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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 22.8n/an/an/an/a7.425



Pfizer Inc

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)


BindingDB Entry DOI: 10.7270/Q2736SZ5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM286338
PNG
(US9518052, Example 148)
Show SMILES CN(c1ccccc1CNc1nc(cc(N)c1C=N)-c1cc(F)c(O)cc1CC(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C23H23F4N5O3S/c1-32(36(2,34)35)20-6-4-3-5-13(20)12-30-22-16(11-28)18(29)9-19(31-22)15-8-17(24)21(33)7-14(15)10-23(25,26)27/h3-9,11,28,33H,10,12H2,1-2H3,(H3,29,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.30n/an/an/an/a7.425



Pfizer Inc

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)


BindingDB Entry DOI: 10.7270/Q2736SZ5
More data for this
Ligand-Target Pair