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PubMed code 18578470

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50252610
PNG
(CHEMBL494257 | Ethyl 5,6,7,8-tetrafluoro-4-oxo-1-(...)
Show SMILES CCOC(=O)c1cn(-c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2c1=O |(2.69,3,;1.36,3.77,;.03,3,;-1.31,3.76,;-1.31,5.3,;-2.64,2.99,;-2.63,1.43,;-3.98,.65,;-3.97,-.88,;-2.64,-1.64,;-1.31,-.86,;-2.63,-3.17,;-1.29,-3.93,;-3.96,-3.96,;-3.96,-5.49,;-5.3,-3.19,;-6.63,-3.96,;-5.3,-1.65,;-6.65,-2.41,;-5.32,1.42,;-6.65,.66,;-6.66,-.88,;-7.99,1.43,;-9.32,.66,;-7.99,2.97,;-9.32,3.74,;-6.66,3.74,;-6.66,5.28,;-5.32,2.98,;-3.99,3.76,;-4,5.3,)|
Show InChI InChI=1S/C18H6F9NO3/c1-2-31-18(30)4-3-28(16-13(26)10(23)8(21)11(24)14(16)27)15-5(17(4)29)6(19)7(20)9(22)12(15)25/h3H,2H2,1H3
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n/an/an/an/a 4.60E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of STAT3 Y705 phosphorylation in human U266 cells by western blot analysis

J Med Chem 51: 4115-21 (2008)


Article DOI: 10.1021/jm701271y
BindingDB Entry DOI: 10.7270/Q2B27V3R
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50252612
PNG
(CHEMBL524195 | Ethyl 1-(4-Cyano-2,3,5,6-tetrafluor...)
Show SMILES CCOC(=O)c1cn(-c2c(F)c(F)c(C#N)c(F)c2F)c2c(F)c(F)c(F)cc2c1=O |(32.1,3.51,;30.76,4.28,;29.43,3.5,;28.1,4.27,;28.09,5.81,;26.77,3.49,;26.77,1.94,;25.43,1.16,;25.44,-.37,;26.77,-1.13,;28.1,-.36,;26.78,-2.67,;28.11,-3.43,;25.44,-3.45,;25.45,-4.99,;25.44,-6.52,;24.1,-2.68,;22.77,-3.46,;24.1,-1.15,;22.76,-1.91,;24.09,1.93,;22.75,1.16,;22.74,-.38,;21.41,1.93,;20.08,1.16,;21.41,3.48,;20.08,4.25,;22.74,4.25,;24.08,3.48,;25.41,4.27,;25.41,5.81,)|
Show InChI InChI=1S/C19H7F7N2O3/c1-2-31-19(30)8-5-28(16-6(18(8)29)3-9(20)12(23)15(16)26)17-13(24)10(21)7(4-27)11(22)14(17)25/h3,5H,2H2,1H3
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n/an/an/an/a 170n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of STAT3 Y705 phosphorylation in human U266 cells by western blot analysis

J Med Chem 51: 4115-21 (2008)


Article DOI: 10.1021/jm701271y
BindingDB Entry DOI: 10.7270/Q2B27V3R
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50252611
PNG
(5,6,7,8-Tetrafluoro-4-oxo-1-(pentafluoro-phenyl)-1...)
Show SMILES OC(=O)c1cn(-c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2c1=O |(15.58,3.17,;14.25,3.94,;14.24,5.48,;12.92,3.17,;12.92,1.61,;11.58,.83,;11.59,-.7,;12.92,-1.46,;14.24,-.68,;12.93,-2.99,;14.26,-3.76,;11.59,-3.78,;11.6,-5.31,;10.26,-3.01,;8.92,-3.78,;10.25,-1.47,;8.91,-2.23,;10.24,1.6,;8.9,.83,;8.9,-.7,;7.57,1.6,;6.23,.84,;7.57,3.15,;6.23,3.92,;8.9,3.92,;8.89,5.46,;10.23,3.15,;11.57,3.94,;11.56,5.48,)|
Show InChI InChI=1S/C16H2F9NO3/c17-4-3-13(10(23)7(20)5(4)18)26(1-2(15(3)27)16(28)29)14-11(24)8(21)6(19)9(22)12(14)25/h1H,(H,28,29)
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n/an/an/an/a 4.60E+4n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of STAT3 Y705 phosphorylation in human U266 cells by western blot analysis

J Med Chem 51: 4115-21 (2008)


Article DOI: 10.1021/jm701271y
BindingDB Entry DOI: 10.7270/Q2B27V3R
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50252660
PNG
(Benzyl 1-(4-Cyano-2,3,5,6-tetrafluorophenyl)-6,7,8...)
Show SMILES Fc1cc2c(c(F)c1F)n(cc(C(=O)OCc1ccccc1)c2=O)-c1c(F)c(F)c(C#N)c(F)c1F |(-10.27,-12.39,;-8.94,-13.16,;-7.61,-12.39,;-6.28,-13.15,;-6.27,-14.71,;-7.61,-15.48,;-7.61,-17.02,;-8.94,-14.7,;-10.28,-15.47,;-4.93,-15.48,;-3.58,-14.7,;-3.59,-13.14,;-2.26,-12.37,;-2.26,-10.83,;-.92,-13.13,;.41,-12.36,;1.75,-13.13,;1.74,-14.66,;3.08,-15.43,;4.41,-14.65,;4.4,-13.11,;3.06,-12.35,;-4.94,-12.37,;-4.95,-10.83,;-4.92,-17.01,;-3.59,-17.77,;-2.26,-16.99,;-3.58,-19.31,;-2.24,-20.07,;-4.91,-20.09,;-4.91,-21.63,;-4.92,-23.16,;-6.25,-19.32,;-7.58,-20.09,;-6.25,-17.78,;-7.6,-18.54,)|
Show InChI InChI=1S/C24H9F7N2O3/c25-14-6-11-21(20(31)17(14)28)33(22-18(29)15(26)12(7-32)16(27)19(22)30)8-13(23(11)34)24(35)36-9-10-4-2-1-3-5-10/h1-6,8H,9H2
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n/an/an/an/a 130n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of STAT3 Y705 phosphorylation in human U266 cells by western blot analysis

J Med Chem 51: 4115-21 (2008)


Article DOI: 10.1021/jm701271y
BindingDB Entry DOI: 10.7270/Q2B27V3R
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50252661
PNG
(1-(4-Cyano-2,3,5,6-tetrafluorophenyl)-6,7,8-triflu...)
Show SMILES Fc1ccc(CNC(=O)c2cn(-c3c(F)c(F)c(C#N)c(F)c3F)c3c(F)c(F)c(F)cc3c2=O)cc1 |(24.77,-14.19,;23.43,-13.43,;22.1,-14.2,;20.77,-13.43,;20.77,-11.9,;19.44,-11.13,;18.1,-11.91,;16.77,-11.14,;16.76,-9.6,;15.44,-11.91,;15.44,-13.47,;14.1,-14.25,;14.11,-15.78,;15.44,-16.54,;16.77,-15.76,;15.45,-18.08,;16.79,-18.84,;14.11,-18.86,;14.12,-20.4,;14.11,-21.93,;12.77,-18.09,;11.44,-18.86,;12.77,-16.55,;11.43,-17.31,;12.76,-13.48,;11.42,-14.25,;11.41,-15.79,;10.08,-13.48,;8.75,-14.24,;10.09,-11.93,;8.75,-11.16,;11.41,-11.16,;12.75,-11.92,;14.09,-11.14,;14.08,-9.6,;22.09,-11.12,;23.42,-11.88,)|
Show InChI InChI=1S/C24H9F8N3O2/c25-10-3-1-9(2-4-10)7-34-24(37)13-8-35(21-11(23(13)36)5-14(26)17(29)20(21)32)22-18(30)15(27)12(6-33)16(28)19(22)31/h1-5,8H,7H2,(H,34,37)
PDB

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n/an/an/an/a 200n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of STAT3 Y705 phosphorylation in human U266 cells by western blot analysis

J Med Chem 51: 4115-21 (2008)


Article DOI: 10.1021/jm701271y
BindingDB Entry DOI: 10.7270/Q2B27V3R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%