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BDBM281329 N-butyl-N-[2-({[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]amino}methyl)phe-nyl]methanesulfonamide::US10022376, Example 139

SMILES: CCCCN(c1ccccc1CNc1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC)S(C)(=O)=O

InChI Key: InChIKey=FLQXDWBNLQNAKN-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 = 281329   
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))
BDBM281329
PNG
(N-butyl-N-[2-({[6-(2-ethyl-5-fluoro-4-hydroxypheny...)
Show SMILES CCCCN(c1ccccc1CNc1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC)S(C)(=O)=O
Show InChI InChI=1S/C26H30FN5O3S/c1-4-6-11-32(36(3,34)35)24-10-8-7-9-18(24)15-28-26-20-16-29-31-23(20)14-22(30-26)19-13-21(27)25(33)12-17(19)5-2/h7-10,12-14,16,33H,4-6,11,15H2,1-3H3,(H,28,30)(H,29,31)
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PC cid
PC sid
UniChem
US Patent
n/an/a 8.5n/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 US10022376 (2018)


BindingDB Entry DOI: 10.7270/Q2JQ131W
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM281329
PNG
(N-butyl-N-[2-({[6-(2-ethyl-5-fluoro-4-hydroxypheny...)
Show SMILES CCCCN(c1ccccc1CNc1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC)S(C)(=O)=O
Show InChI InChI=1S/C26H30FN5O3S/c1-4-6-11-32(36(3,34)35)24-10-8-7-9-18(24)15-28-26-20-16-29-31-23(20)14-22(30-26)19-13-21(27)25(33)12-17(19)5-2/h7-10,12-14,16,33H,4-6,11,15H2,1-3H3,(H,28,30)(H,29,31)
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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.99E+3n/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 US10022376 (2018)


BindingDB Entry DOI: 10.7270/Q2JQ131W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM281329
PNG
(N-butyl-N-[2-({[6-(2-ethyl-5-fluoro-4-hydroxypheny...)
Show SMILES CCCCN(c1ccccc1CNc1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC)S(C)(=O)=O
Show InChI InChI=1S/C26H30FN5O3S/c1-4-6-11-32(36(3,34)35)24-10-8-7-9-18(24)15-28-26-20-16-29-31-23(20)14-22(30-26)19-13-21(27)25(33)12-17(19)5-2/h7-10,12-14,16,33H,4-6,11,15H2,1-3H3,(H,28,30)(H,29,31)
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UniChem
US Patent
n/an/a 27.5n/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 US10022376 (2018)


BindingDB Entry DOI: 10.7270/Q2JQ131W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM281329
PNG
(N-butyl-N-[2-({[6-(2-ethyl-5-fluoro-4-hydroxypheny...)
Show SMILES CCCCN(c1ccccc1CNc1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC)S(C)(=O)=O
Show InChI InChI=1S/C26H30FN5O3S/c1-4-6-11-32(36(3,34)35)24-10-8-7-9-18(24)15-28-26-20-16-29-31-23(20)14-22(30-26)19-13-21(27)25(33)12-17(19)5-2/h7-10,12-14,16,33H,4-6,11,15H2,1-3H3,(H,28,30)(H,29,31)
PDB

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US Patent
n/an/a 16.7n/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 US10022376 (2018)


BindingDB Entry DOI: 10.7270/Q2JQ131W
More data for this
Ligand-Target Pair