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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
Proto-oncogene c-JUN/protein c-fos


(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
Proto-oncogene c-JUN/protein c-fos


(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
Proto-oncogene c-JUN/protein c-fos


(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
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
Proto-oncogene c-JUN/protein c-fos


(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
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
Proto-oncogene c-JUN/protein c-fos


(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
Proto-oncogene c-JUN/protein c-fos


(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
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
Proto-oncogene c-JUN/protein c-fos


(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
Proto-oncogene c-JUN/protein c-fos


(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
Proto-oncogene c-JUN/protein c-fos


(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
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
Proto-oncogene c-JUN/protein c-fos


(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
Proto-oncogene c-JUN/protein c-fos


(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
Proto-oncogene c-JUN/protein c-fos


(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
Proto-oncogene c-JUN/protein c-fos


(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
* indicates data uncertainty>20%