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PubMed code 16392794

Compile data set for download or QSAR
Found 13 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
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))		BDBM50180049
PNG
(3-[2-isobutoxy-5-(4-isobutoxybenzoyl)phenyl]propio...)
Show SMILES CC(C)COc1ccc(cc1)C(=O)c1ccc(OCC(C)C)c(CCC(O)=O)c1
Show InChI InChI=1S/C24H30O5/c1-16(2)14-28-21-9-5-18(6-10-21)24(27)20-7-11-22(29-15-17(3)4)19(13-20)8-12-23(25)26/h5-7,9-11,13,16-17H,8,12,14-15H2,1-4H3,(H,25,26)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the expression of AP1-luciferase by TPA-stimulated NIH3T3 cells

J Med Chem 49: 80-91 (2006)


Article DOI: 10.1021/jm050550d
BindingDB Entry DOI: 10.7270/Q2VX0G2C
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))		BDBM50180047
PNG
(3-[2-isobutoxy-5-(3-isobutoxybenzoyl)phenyl]propio...)
Show SMILES CC(C)COc1cccc(c1)C(=O)c1ccc(OCC(C)C)c(CCC(O)=O)c1
Show InChI InChI=1S/C24H30O5/c1-16(2)14-28-21-7-5-6-19(13-21)24(27)20-8-10-22(29-15-17(3)4)18(12-20)9-11-23(25)26/h5-8,10,12-13,16-17H,9,11,14-15H2,1-4H3,(H,25,26)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the expression of AP1-luciferase by TPA-stimulated NIH3T3 cells

J Med Chem 49: 80-91 (2006)


Article DOI: 10.1021/jm050550d
BindingDB Entry DOI: 10.7270/Q2VX0G2C
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))		BDBM50180051
PNG
((R)-4-(4-methylpentanoyl)-8-(4-methylpentylidene)-...)
Show SMILES CC(C)CCC=C1CCC2(CC1)SC[C@H](N2C(=O)CCC(C)C)C(O)=O |wU:14.24,(-7.53,4.55,;-6,4.62,;-5.29,5.99,;-5.17,3.32,;-3.63,3.39,;-2.8,2.1,;-1.26,2.17,;-.42,.88,;1.12,.95,;1.82,2.31,;1,3.6,;-.54,3.53,;2.67,3.6,;4.15,3.19,;4.22,1.65,;2.78,1.11,;2.37,-.38,;.88,-.77,;3.45,-1.47,;3.05,-2.96,;4.13,-4.05,;3.72,-5.54,;5.62,-3.66,;5.51,.8,;6.88,1.49,;5.42,-.73,)|
Show InChI InChI=1S/C21H35NO3S/c1-15(2)6-5-7-17-10-12-21(13-11-17)22(18(14-26-21)20(24)25)19(23)9-8-16(3)4/h7,15-16,18H,5-6,8-14H2,1-4H3,(H,24,25)/b17-7-/t18-,21?/m0/s1
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n/an/a 1.18E+4n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the expression of AP1-luciferase by TPA-stimulated NIH3T3 cells

J Med Chem 49: 80-91 (2006)


Article DOI: 10.1021/jm050550d
BindingDB Entry DOI: 10.7270/Q2VX0G2C
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))		BDBM50180048
PNG
((R)-8-(3-methylbutylidene)-4-(5-methylhexanoyl)-1-...)
Show SMILES CC(C)CCCC(=O)N1[C@@H](CSC11CCC(CC1)=CCC(C)C)C(O)=O |wU:9.24,(8.93,-9.16,;7.84,-8.07,;8.25,-6.58,;6.35,-8.46,;5.27,-7.36,;5.68,-5.88,;4.6,-4.78,;3.11,-5.17,;5,-3.29,;6.45,-2.75,;6.37,-1.21,;4.89,-.81,;4.04,-2.09,;3.34,-3.46,;1.8,-3.53,;.97,-2.23,;1.68,-.87,;3.22,-.8,;-.57,-2.31,;-1.4,-1.01,;-2.94,-1.08,;-3.77,.22,;-3.65,-2.45,;7.73,-3.6,;9.11,-2.91,;7.64,-5.14,)|
Show InChI InChI=1S/C21H35NO3S/c1-15(2)6-5-7-19(23)22-18(20(24)25)14-26-21(22)12-10-17(11-13-21)9-8-16(3)4/h9,15-16,18H,5-8,10-14H2,1-4H3,(H,24,25)/b17-9-/t18-,21?/m0/s1
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n/an/a 1.33E+4n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the expression of AP1-luciferase by TPA-stimulated NIH3T3 cells

J Med Chem 49: 80-91 (2006)


Article DOI: 10.1021/jm050550d
BindingDB Entry DOI: 10.7270/Q2VX0G2C
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))		BDBM50180050
PNG
(3-[2-benzyloxy-5-(4-isobutoxybenzoyl)phenyl]propio...)
Show SMILES CC(C)COc1ccc(cc1)C(=O)c1ccc(OCc2ccccc2)c(CCC(O)=O)c1
Show InChI InChI=1S/C27H28O5/c1-19(2)17-31-24-12-8-21(9-13-24)27(30)23-10-14-25(22(16-23)11-15-26(28)29)32-18-20-6-4-3-5-7-20/h3-10,12-14,16,19H,11,15,17-18H2,1-2H3,(H,28,29)
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n/an/a 4.20E+5n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity on AP1 using ELISA based AP1 DNA binding

J Med Chem 49: 80-91 (2006)


Article DOI: 10.1021/jm050550d
BindingDB Entry DOI: 10.7270/Q2VX0G2C
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))		BDBM50180048
PNG
((R)-8-(3-methylbutylidene)-4-(5-methylhexanoyl)-1-...)
Show SMILES CC(C)CCCC(=O)N1[C@@H](CSC11CCC(CC1)=CCC(C)C)C(O)=O |wU:9.24,(8.93,-9.16,;7.84,-8.07,;8.25,-6.58,;6.35,-8.46,;5.27,-7.36,;5.68,-5.88,;4.6,-4.78,;3.11,-5.17,;5,-3.29,;6.45,-2.75,;6.37,-1.21,;4.89,-.81,;4.04,-2.09,;3.34,-3.46,;1.8,-3.53,;.97,-2.23,;1.68,-.87,;3.22,-.8,;-.57,-2.31,;-1.4,-1.01,;-2.94,-1.08,;-3.77,.22,;-3.65,-2.45,;7.73,-3.6,;9.11,-2.91,;7.64,-5.14,)|
Show InChI InChI=1S/C21H35NO3S/c1-15(2)6-5-7-19(23)22-18(20(24)25)14-26-21(22)12-10-17(11-13-21)9-8-16(3)4/h9,15-16,18H,5-8,10-14H2,1-4H3,(H,24,25)/b17-9-/t18-,21?/m0/s1
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n/an/a 4.60E+5n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity on AP1 using ELISA based AP1 DNA binding

J Med Chem 49: 80-91 (2006)


Article DOI: 10.1021/jm050550d
BindingDB Entry DOI: 10.7270/Q2VX0G2C
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))		BDBM50180047
PNG
(3-[2-isobutoxy-5-(3-isobutoxybenzoyl)phenyl]propio...)
Show SMILES CC(C)COc1cccc(c1)C(=O)c1ccc(OCC(C)C)c(CCC(O)=O)c1
Show InChI InChI=1S/C24H30O5/c1-16(2)14-28-21-7-5-6-19(13-21)24(27)20-8-10-22(29-15-17(3)4)18(12-20)9-11-23(25)26/h5-8,10,12-13,16-17H,9,11,14-15H2,1-4H3,(H,25,26)
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n/an/a 6.00E+5n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity on AP1 using ELISA based AP1 DNA binding

J Med Chem 49: 80-91 (2006)


Article DOI: 10.1021/jm050550d
BindingDB Entry DOI: 10.7270/Q2VX0G2C
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))		BDBM50180049
PNG
(3-[2-isobutoxy-5-(4-isobutoxybenzoyl)phenyl]propio...)
Show SMILES CC(C)COc1ccc(cc1)C(=O)c1ccc(OCC(C)C)c(CCC(O)=O)c1
Show InChI InChI=1S/C24H30O5/c1-16(2)14-28-21-9-5-18(6-10-21)24(27)20-7-11-22(29-15-17(3)4)19(13-20)8-12-23(25)26/h5-7,9-11,13,16-17H,8,12,14-15H2,1-4H3,(H,25,26)
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n/an/a 6.10E+5n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity on AP1 using ELISA based AP1 DNA binding

J Med Chem 49: 80-91 (2006)


Article DOI: 10.1021/jm050550d
BindingDB Entry DOI: 10.7270/Q2VX0G2C
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))		BDBM50180051
PNG
((R)-4-(4-methylpentanoyl)-8-(4-methylpentylidene)-...)
Show SMILES CC(C)CCC=C1CCC2(CC1)SC[C@H](N2C(=O)CCC(C)C)C(O)=O |wU:14.24,(-7.53,4.55,;-6,4.62,;-5.29,5.99,;-5.17,3.32,;-3.63,3.39,;-2.8,2.1,;-1.26,2.17,;-.42,.88,;1.12,.95,;1.82,2.31,;1,3.6,;-.54,3.53,;2.67,3.6,;4.15,3.19,;4.22,1.65,;2.78,1.11,;2.37,-.38,;.88,-.77,;3.45,-1.47,;3.05,-2.96,;4.13,-4.05,;3.72,-5.54,;5.62,-3.66,;5.51,.8,;6.88,1.49,;5.42,-.73,)|
Show InChI InChI=1S/C21H35NO3S/c1-15(2)6-5-7-17-10-12-21(13-11-17)22(18(14-26-21)20(24)25)19(23)9-8-16(3)4/h7,15-16,18H,5-6,8-14H2,1-4H3,(H,24,25)/b17-7-/t18-,21?/m0/s1
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n/an/a 6.50E+5n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity on AP1 using ELISA based AP1 DNA binding

J Med Chem 49: 80-91 (2006)


Article DOI: 10.1021/jm050550d
BindingDB Entry DOI: 10.7270/Q2VX0G2C
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))		BDBM50180052
PNG
(3-[5-(4-isobutoxybenzoyl)-2-propoxyphenyl]propioni...)
Show SMILES CCCOc1ccc(cc1CCC(O)=O)C(=O)c1ccc(OCC(C)C)cc1
Show InChI InChI=1S/C23H28O5/c1-4-13-27-21-11-7-19(14-18(21)8-12-22(24)25)23(26)17-5-9-20(10-6-17)28-15-16(2)3/h5-7,9-11,14,16H,4,8,12-13,15H2,1-3H3,(H,24,25)
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n/an/a 9.10E+5n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity on AP1 using ELISA based AP1 DNA binding

J Med Chem 49: 80-91 (2006)


Article DOI: 10.1021/jm050550d
BindingDB Entry DOI: 10.7270/Q2VX0G2C
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))		BDBM50180046
PNG
(3-[2-isobutoxy-5-(4-propoxybenzoyl)phenyl]propioni...)
Show SMILES CCCOc1ccc(cc1)C(=O)c1ccc(OCC(C)C)c(CCC(O)=O)c1
Show InChI InChI=1S/C23H28O5/c1-4-13-27-20-9-5-17(6-10-20)23(26)19-7-11-21(28-15-16(2)3)18(14-19)8-12-22(24)25/h5-7,9-11,14,16H,4,8,12-13,15H2,1-3H3,(H,24,25)
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n/an/a 9.30E+5n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity on AP1 using ELISA based AP1 DNA binding

J Med Chem 49: 80-91 (2006)


Article DOI: 10.1021/jm050550d
BindingDB Entry DOI: 10.7270/Q2VX0G2C
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))		BDBM50180053
PNG
(3-(5-benzoyl-2-isobutoxyphenyl)propionic acid | CH...)
Show SMILES CC(C)COc1ccc(cc1CCC(O)=O)C(=O)c1ccccc1
Show InChI InChI=1S/C20H22O4/c1-14(2)13-24-18-10-8-17(12-16(18)9-11-19(21)22)20(23)15-6-4-3-5-7-15/h3-8,10,12,14H,9,11,13H2,1-2H3,(H,21,22)
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n/an/a>2.00E+6n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity on AP1 using ELISA based AP1 DNA binding

J Med Chem 49: 80-91 (2006)


Article DOI: 10.1021/jm050550d
BindingDB Entry DOI: 10.7270/Q2VX0G2C
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))		BDBM50180045
PNG
(3-[3-(4-isobutoxybenzoyl)phenyl]propionic acid | C...)
Show SMILES CC(C)COc1ccc(cc1)C(=O)c1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C20H22O4/c1-14(2)13-24-18-9-7-16(8-10-18)20(23)17-5-3-4-15(12-17)6-11-19(21)22/h3-5,7-10,12,14H,6,11,13H2,1-2H3,(H,21,22)
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n/an/a>2.00E+6n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity on AP1 using ELISA based AP1 DNA binding

J Med Chem 49: 80-91 (2006)


Article DOI: 10.1021/jm050550d
BindingDB Entry DOI: 10.7270/Q2VX0G2C
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%