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Compile Data Set for Download or QSAR

Found 59 hits Enz. Inhib. hit(s) with all data for entry = 50045081   
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
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50135483
PNG
(1-(6-Methoxy-2-thiophen-2-yl-quinazolin-4-ylamino)...)
Show SMILES COc1ccc2nc(nc(NN3C(=O)C=C(C)C3=O)c2c1)-c1cccs1
Show InChI InChI=1S/C18H14N4O3S/c1-10-8-15(23)22(18(10)24)21-16-12-9-11(25-2)5-6-13(12)19-17(20-16)14-4-3-7-26-14/h3-9H,1-2H3,(H,19,20,21)
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n/an/a 3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50135482
PNG
(1-(5-Methoxy-2-thiophen-2-yl-quinazolin-4-ylamino)...)
Show SMILES COc1cccc2nc(nc(NN3C(=O)C=C(C)C3=O)c12)-c1cccs1
Show InChI InChI=1S/C18H14N4O3S/c1-10-9-14(23)22(18(10)24)21-17-15-11(5-3-6-12(15)25-2)19-16(20-17)13-7-4-8-26-13/h3-9H,1-2H3,(H,19,20,21)
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n/an/a 8n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50090430
PNG
(4-(3-Methyl-2,5-dioxo-2,5-dihydro-pyrrol-1-ylamino...)
Show SMILES CCOC(=O)c1cnc(nc1NN1C(=O)C=C(C)C1=O)-c1cccs1
Show InChI InChI=1S/C16H14N4O4S/c1-3-24-16(23)10-8-17-14(11-5-4-6-25-11)18-13(10)19-20-12(21)7-9(2)15(20)22/h4-8H,3H2,1-2H3,(H,17,18,19)
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n/an/a 20n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50092879
PNG
(2-Chloro-4-methyl-pyrimidine-5-carboxylic acid (3,...)
Show SMILES Cc1nc(Cl)ncc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C14H8ClF6N3O/c1-6-10(5-22-12(15)23-6)11(25)24-9-3-7(13(16,17)18)2-8(4-9)14(19,20)21/h2-5H,1H3,(H,24,25)
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n/an/a 20n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50044568
PNG
(CHEMBL85822)
Show SMILES CCOC(=O)c1cnc(nc1CC)N(C)N1C(=O)C=C(C)C1=O
Show InChI InChI=1S/C15H18N4O4/c1-5-11-10(14(22)23-6-2)8-16-15(17-11)18(4)19-12(20)7-9(3)13(19)21/h7-8H,5-6H2,1-4H3
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n/an/a 35n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50044567
PNG
(CHEMBL86615)
Show SMILES CCOC(=O)c1cnc(NN2C(=O)C=C(C)C2=O)nc1-c1ccc(C)s1
Show InChI InChI=1S/C17H16N4O4S/c1-4-25-16(24)11-8-18-17(19-14(11)12-6-5-10(3)26-12)20-21-13(22)7-9(2)15(21)23/h5-8H,4H2,1-3H3,(H,18,19,20)
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n/an/a 45n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50062648
PNG
(2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic...)
Show SMILES FC(F)(F)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C14H5ClF9N3O/c15-11-25-4-8(9(27-11)14(22,23)24)10(28)26-7-2-5(12(16,17)18)1-6(3-7)13(19,20)21/h1-4H,(H,26,28)
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n/an/a 50n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50044564
PNG
(CHEMBL315804)
Show SMILES CC1=CC(=O)N(Nc2ncc(C(=O)c3ccccc3)c(n2)C(F)(F)F)C1=O
Show InChI InChI=1S/C17H11F3N4O3/c1-9-7-12(25)24(15(9)27)23-16-21-8-11(14(22-16)17(18,19)20)13(26)10-5-3-2-4-6-10/h2-8H,1H3,(H,21,22,23)
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n/an/a 98n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50090444
PNG
(4-(3-Methyl-2,5-dioxo-2,5-dihydro-pyrrol-1-ylamino...)
Show SMILES CCOC(=O)c1cnc(nc1NN1C(=O)C=C(C)C1=O)-c1ccccc1
Show InChI InChI=1S/C18H16N4O4/c1-3-26-18(25)13-10-19-15(12-7-5-4-6-8-12)20-16(13)21-22-14(23)9-11(2)17(22)24/h4-10H,3H2,1-2H3,(H,19,20,21)
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n/an/a 100n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50092877
PNG
(2-Fluoro-4-trifluoromethyl-pyrimidine-5-carboxylic...)
Show SMILES Fc1ncc(C(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(n1)C(F)(F)F
Show InChI InChI=1S/C14H5F10N3O/c15-11-25-4-8(9(27-11)14(22,23)24)10(28)26-7-2-5(12(16,17)18)1-6(3-7)13(19,20)21/h1-4H,(H,26,28)
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n/an/a 100n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50044572
PNG
(CHEMBL3341912)
Show SMILES FC(F)(F)c1ccc2Sc3nc(Cl)ncc3C(=O)Nc2c1
Show InChI InChI=1S/C12H5ClF3N3OS/c13-11-17-4-6-9(20)18-7-3-5(12(14,15)16)1-2-8(7)21-10(6)19-11/h1-4H,(H,18,20)
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n/an/a 100n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50092882
PNG
(2,4-Dichloro-pyrimidine-5-carboxylic acid (3,5-bis...)
Show SMILES FC(F)(F)c1cc(NC(=O)c2cnc(Cl)nc2Cl)cc(c1)C(F)(F)F
Show InChI InChI=1S/C13H5Cl2F6N3O/c14-9-8(4-22-11(15)24-9)10(25)23-7-2-5(12(16,17)18)1-6(3-7)13(19,20)21/h1-4H,(H,23,25)
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n/an/a 200n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50044566
PNG
(CHEMBL87274)
Show SMILES CC1=CC(=O)N(Nc2ncc(C(=O)OC(C)(C)C)c(n2)C(F)(F)F)C1=O
Show InChI InChI=1S/C15H15F3N4O4/c1-7-5-9(23)22(11(7)24)21-13-19-6-8(10(20-13)15(16,17)18)12(25)26-14(2,3)4/h5-6H,1-4H3,(H,19,20,21)
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n/an/a 210n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50044570
PNG
(CHEMBL87433)
Show SMILES CCOC(=O)c1cnc(nc1C(F)(F)F)N(C)N1C(=O)C=C(C)C1=O
Show InChI InChI=1S/C14H13F3N4O4/c1-4-25-12(24)8-6-18-13(19-10(8)14(15,16)17)20(3)21-9(22)5-7(2)11(21)23/h5-6H,4H2,1-3H3
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n/an/a 300n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50092883
PNG
(2-Chloro-4-phenyl-pyrimidine-5-carboxylic acid (3,...)
Show SMILES FC(F)(F)c1cc(NC(=O)c2cnc(Cl)nc2-c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C19H10ClF6N3O/c20-17-27-9-14(15(29-17)10-4-2-1-3-5-10)16(30)28-13-7-11(18(21,22)23)6-12(8-13)19(24,25)26/h1-9H,(H,28,30)
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n/an/a 400n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50044569
PNG
(CHEMBL83026)
Show SMILES CCOC(=O)c1cnc(NN2C(=O)C=C(C)C2=O)nc1CC
Show InChI InChI=1S/C14H16N4O4/c1-4-10-9(13(21)22-5-2)7-15-14(16-10)17-18-11(19)6-8(3)12(18)20/h6-7H,4-5H2,1-3H3,(H,15,16,17)
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n/an/a 400n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50044552
PNG
(CHEMBL3341901)
Show SMILES Cc1nc(Cl)ncc1C(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C12H8Cl3N3O/c1-6-10(5-16-12(15)17-6)11(19)18-9-3-7(13)2-8(14)4-9/h2-5H,1H3,(H,18,19)
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n/an/a 500n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50044553
PNG
(CHEMBL3341956)
Show SMILES CNc1nc(c(s1)-c1nc2ccccc2c(=O)n1-c1ccccc1OC)-c1ccccc1
Show InChI InChI=1S/C25H20N4O2S/c1-26-25-28-21(16-10-4-3-5-11-16)22(32-25)23-27-18-13-7-6-12-17(18)24(30)29(23)19-14-8-9-15-20(19)31-2/h3-15H,1-2H3,(H,26,28)
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n/an/a 500n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in HEK293 cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50044562
PNG
(CHEMBL3341914)
Show SMILES CC1=CC(=O)N(Nc2ncc(-c3coc(C)n3)c(n2)-c2cccs2)C1=O
Show InChI InChI=1S/C17H13N5O3S/c1-9-6-14(23)22(16(9)24)21-17-18-7-11(12-8-25-10(2)19-12)15(20-17)13-4-3-5-26-13/h3-8H,1-2H3,(H,18,20,21)
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n/an/a 760n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50044563
PNG
(CHEMBL3341913)
Show SMILES CCc1nc(NN2C(=O)C=C(C)C2=O)ncc1-c1coc(C)n1
Show InChI InChI=1S/C15H15N5O3/c1-4-11-10(12-7-23-9(3)17-12)6-16-15(18-11)19-20-13(21)5-8(2)14(20)22/h5-7H,4H2,1-3H3,(H,16,18,19)
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n/an/a 830n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50090408
PNG
(4-(3-Methyl-2,5-dioxo-2,5-dihydro-pyrrol-1-ylamino...)
Show SMILES CCOC(=O)c1cnc(nc1NN1C(=O)C=C(C)C1=O)C(F)(F)F
Show InChI InChI=1S/C13H11F3N4O4/c1-3-24-11(23)7-5-17-12(13(14,15)16)18-9(7)19-20-8(21)4-6(2)10(20)22/h4-5H,3H2,1-2H3,(H,17,18,19)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50279429
PNG
(3-(4-Chloro-phenyl)-2-(4-methyl-2-methylamino-thia...)
Show SMILES CNc1nc(C)c(s1)-c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN4OS/c1-11-16(26-19(21-2)22-11)17-23-15-6-4-3-5-14(15)18(25)24(17)13-9-7-12(20)8-10-13/h3-10H,1-2H3,(H,21,22)
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in HEK293 cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50279431
PNG
(3-(4-Chloro-phenyl)-2-[2-(4-chloro-phenylamino)-4-...)
Show SMILES Cc1nc(Nc2ccc(Cl)cc2)sc1-c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H16Cl2N4OS/c1-14-21(32-24(27-14)28-17-10-6-15(25)7-11-17)22-29-20-5-3-2-4-19(20)23(31)30(22)18-12-8-16(26)9-13-18/h2-13H,1H3,(H,27,28)
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in HEK293 cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50044557
PNG
(NAGILACTONE)
Show SMILES CC(C)c1oc(=O)cc2c1C(O)C1OC(=O)C3(C)C1C2(C)C1OC1C3O
Show InChI InChI=1S/C19H22O7/c1-6(2)11-9-7(5-8(20)24-11)18(3)14-12(10(9)21)26-17(23)19(14,4)15(22)13-16(18)25-13/h5-6,10,12-16,21-22H,1-4H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of TPA-induced AP-1 activation (unknown origin)


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50092878
PNG
(6-Chloro-pyridazine-3-carboxylic acid (3,5-bis-tri...)
Show SMILES FC(F)(F)c1cc(NC(=O)c2ccc(Cl)nn2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C13H6ClF6N3O/c14-10-2-1-9(22-23-10)11(24)21-8-4-6(12(15,16)17)3-7(5-8)13(18,19)20/h1-5H,(H,21,24)
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50044573
PNG
(CHEMBL3341911)
Show SMILES FC(F)(F)c1ccc2Oc3nc(Cl)ncc3C(=O)Nc2c1
Show InChI InChI=1S/C12H5ClF3N3O2/c13-11-17-4-6-9(20)18-7-3-5(12(14,15)16)1-2-8(7)21-10(6)19-11/h1-4H,(H,18,20)
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50044571
PNG
(CHEMBL87572)
Show SMILES CCOC(=O)c1cnc(NN2C(=O)C=C(C)C2=O)nc1C(F)(F)F
Show InChI InChI=1S/C13H11F3N4O4/c1-3-24-11(23)7-5-17-12(18-9(7)13(14,15)16)19-20-8(21)4-6(2)10(20)22/h4-5H,3H2,1-2H3,(H,17,18,19)
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50092889
PNG
(5-Chloro-pyrazine-2-carboxylic acid (3,5-bis-trifl...)
Show SMILES FC(F)(F)c1cc(NC(=O)c2cnc(Cl)cn2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C13H6ClF6N3O/c14-10-5-21-9(4-22-10)11(24)23-8-2-6(12(15,16)17)1-7(3-8)13(18,19)20/h1-5H,(H,23,24)
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50341206
PNG
(CHEMBL1765575 | inumakilactone)
Show SMILES CC(C)[C@H]1OC(=O)C=C2[C@@]11O[C@@H]1[C@H]1OC(=O)[C@]3(C)[C@H]1[C@]2(C)[C@@H]1O[C@@H]1[C@@H]3O
Show InChI InChI=1S/C19H22O7/c1-6(2)13-19-7(5-8(20)23-13)17(3)11-9(15(19)26-19)25-16(22)18(11,4)12(21)10-14(17)24-10/h5-6,9-15,21H,1-4H3/t9-,10+,11+,12-,13+,14+,15+,17+,18+,19+/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of TPA-induced AP-1 activation (unknown origin)


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50044565
PNG
(CHEMBL88100)
Show SMILES CC(=O)c1cnc(NN2C(=O)C=C(C)C2=O)nc1C(F)(F)F
Show InChI InChI=1S/C12H9F3N4O3/c1-5-3-8(21)19(10(5)22)18-11-16-4-7(6(2)20)9(17-11)12(13,14)15/h3-4H,1-2H3,(H,16,17,18)
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n/an/a 4.40E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(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



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1 (unknown origin) expressed in TPA-stimulated mouse NIH3T3 cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50315777
PNG
(3-(4-Acetyl-phenyl)-2-(5-morpholin-4-yl-4-pyridin-...)
Show SMILES CC(=O)c1ccc(cc1)-n1c(nc2ccccc2c1=O)-c1cc(c(s1)N1CCOCC1)-c1ccncc1
Show InChI InChI=1S/C29H24N4O3S/c1-19(34)20-6-8-22(9-7-20)33-27(31-25-5-3-2-4-23(25)28(33)35)26-18-24(21-10-12-30-13-11-21)29(37-26)32-14-16-36-17-15-32/h2-13,18H,14-17H2,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in HEK293 cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50279699
PNG
(2-(4-Methyl-2-phenylamino-thiazol-5-yl)-3-o-tolyl-...)
Show SMILES Cc1nc(Nc2ccccc2)sc1-c1nc2ccccc2c(=O)n1-c1ccccc1C
Show InChI InChI=1S/C25H20N4OS/c1-16-10-6-9-15-21(16)29-23(28-20-14-8-7-13-19(20)24(29)30)22-17(2)26-25(31-22)27-18-11-4-3-5-12-18/h3-15H,1-2H3,(H,26,27)
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in HEK293 cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50279698
PNG
(2-(4-Methyl-2-methylamino-thiazol-5-yl)-3-o-tolyl-...)
Show SMILES CNc1nc(C)c(s1)-c1nc2ccccc2c(=O)n1-c1ccccc1C
Show InChI InChI=1S/C20H18N4OS/c1-12-8-4-7-11-16(12)24-18(17-13(2)22-20(21-3)26-17)23-15-10-6-5-9-14(15)19(24)25/h4-11H,1-3H3,(H,21,22)
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in HEK293 cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50044577
PNG
(CHEMBL3341908)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c(=O)c1cnc(Cl)nc21
Show InChI InChI=1S/C12H5ClF3N3O/c13-11-17-4-7-9(19-11)6-2-1-5(12(14,15)16)3-8(6)18-10(7)20/h1-4H,(H,18,20)
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n/an/a 6.10E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50044575
PNG
(CHEMBL3341909)
Show SMILES FC(F)(F)c1ccc2Cc3nc(Cl)ncc3C(=O)Nc2c1
Show InChI InChI=1S/C13H7ClF3N3O/c14-12-18-5-8-10(20-12)3-6-1-2-7(13(15,16)17)4-9(6)19-11(8)21/h1-2,4-5H,3H2,(H,19,21)
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n/an/a 8.50E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50044579
PNG
(CHEMBL3341906)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)N1C(=O)c2cnc(Cl)nc2C1=O
Show InChI InChI=1S/C14H4ClF6N3O2/c15-12-22-4-8-9(23-12)11(26)24(10(8)25)7-2-5(13(16,17)18)1-6(3-7)14(19,20)21/h1-4H
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n/an/a 9.40E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50044578
PNG
(CHEMBL3341907)
Show SMILES FC(F)(F)c1cc(CN2C(=O)c3cnc(Cl)nc3C2=O)cc(c1)C(F)(F)F
Show InChI InChI=1S/C15H6ClF6N3O2/c16-13-23-4-9-10(24-13)12(27)25(11(9)26)5-6-1-7(14(17,18)19)3-8(2-6)15(20,21)22/h1-4H,5H2
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n/an/a 9.40E+3n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50092885
PNG
(2-Cyano-4-trifluoromethyl-pyrimidine-5-carboxylic ...)
Show SMILES FC(F)(F)c1cc(NC(=O)c2cnc(nc2C(F)(F)F)C#N)cc(c1)C(F)(F)F
Show InChI InChI=1S/C15H5F9N4O/c16-13(17,18)6-1-7(14(19,20)21)3-8(2-6)27-12(29)9-5-26-10(4-25)28-11(9)15(22,23)24/h1-3,5H,(H,27,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50092874
PNG
(2,4-Bis-trifluoromethyl-pyrimidine-5-carboxylic ac...)
Show SMILES FC(F)(F)c1cc(NC(=O)c2cnc(nc2C(F)(F)F)C(F)(F)F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C15H5F12N3O/c16-12(17,18)5-1-6(13(19,20)21)3-7(2-5)29-10(31)8-4-28-11(15(25,26)27)30-9(8)14(22,23)24/h1-4H,(H,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50044561
PNG
(CHEMBL3222137)
Show SMILES OC(=O)CCc1cc(ccc1OCc1ccc2c(O)noc2c1)C(=O)c1ccc(OC2CCCC2)cc1O
Show InChI InChI=1S/C29H27NO8/c31-24-15-21(37-20-3-1-2-4-20)8-10-22(24)28(34)19-6-11-25(18(14-19)7-12-27(32)33)36-16-17-5-9-23-26(13-17)38-30-29(23)35/h5-6,8-11,13-15,20,31H,1-4,7,12,16H2,(H,30,35)(H,32,33)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1 (unknown origin) expressed in TPA-stimulated mouse NIH3T3 cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50044561
PNG
(CHEMBL3222137)
Show SMILES OC(=O)CCc1cc(ccc1OCc1ccc2c(O)noc2c1)C(=O)c1ccc(OC2CCCC2)cc1O
Show InChI InChI=1S/C29H27NO8/c31-24-15-21(37-20-3-1-2-4-20)8-10-22(24)28(34)19-6-11-25(18(14-19)7-12-27(32)33)36-16-17-5-9-23-26(13-17)38-30-29(23)35/h5-6,8-11,13-15,20,31H,1-4,7,12,16H2,(H,30,35)(H,32,33)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1 bZIP domain DNA binding activity (unknown origin) by ELISA


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50044574
PNG
(CHEMBL3341910)
Show SMILES FC(F)(F)c1ccc2Nc3nc(Cl)ncc3C(=O)Nc2c1
Show InChI InChI=1S/C12H6ClF3N4O/c13-11-17-4-6-9(20-11)18-7-2-1-5(12(14,15)16)3-8(7)19-10(6)21/h1-4H,(H,19,21)(H,17,18,20)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50044582
PNG
(CHEMBL3341902)
Show SMILES FC(F)(F)c1ccc(NC(=O)c2cc(nc(Cl)n2)C(F)(F)F)c(c1)C(F)(F)F
Show InChI InChI=1S/C14H5ClF9N3O/c15-11-26-8(4-9(27-11)14(22,23)24)10(28)25-7-2-1-5(12(16,17)18)3-6(7)13(19,20)21/h1-4H,(H,25,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50044581
PNG
(CHEMBL3341903)
Show SMILES Cc1cc(nc(Cl)n1)C(=O)Nc1ccc(cc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C14H8ClF6N3O/c1-6-4-10(24-12(15)22-6)11(25)23-9-3-2-7(13(16,17)18)5-8(9)14(19,20)21/h2-5H,1H3,(H,23,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50092873
PNG
(6-Chloro-4-trifluoromethyl-pyridazine-3-carboxylic...)
Show SMILES FC(F)(F)c1cc(NC(=O)c2nnc(Cl)cc2C(F)(F)F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C14H5ClF9N3O/c15-9-4-8(14(22,23)24)10(27-26-9)11(28)25-7-2-5(12(16,17)18)1-6(3-7)13(19,20)21/h1-4H,(H,25,28)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50044580
PNG
(CHEMBL3341905)
Show SMILES FC(F)(F)c1ccc2COCN(C(=O)c3cnc(Cl)nc3C(F)(F)F)c2c1
Show InChI InChI=1S/C15H8ClF6N3O2/c16-13-23-4-9(11(24-13)15(20,21)22)12(26)25-6-27-5-7-1-2-8(3-10(7)25)14(17,18)19/h1-4H,5-6H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50044559
PNG
(CHEMBL3341760)
Show SMILES COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1[C@@H]1O[C@@H]1[C@]2(O)C(=O)O\C=C(/C(O)=O)c1ccc(O)c(OC)c1
Show InChI InChI=1S/C27H30O17/c1-38-13-5-9(3-4-12(13)29)10(22(33)34)7-41-26(36)27(37)16-15(20-21(27)43-20)11(23(35)39-2)8-40-24(16)44-25-19(32)18(31)17(30)14(6-28)42-25/h3-5,7-8,14-21,24-25,28-32,37H,6H2,1-2H3,(H,33,34)/b10-7-/t14-,15-,16-,17-,18+,19-,20+,21+,24+,25+,27+/m1/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of UVB-induced AP-1 activation (unknown origin) by cell-based assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50092884
PNG
(CHEMBL132457 | N-(3,5-Bis-trifluoromethyl-phenyl)-...)
Show SMILES FC(F)(F)c1cc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C16H7ClF9NO/c17-9-1-2-11(12(6-9)16(24,25)26)13(28)27-10-4-7(14(18,19)20)3-8(5-10)15(21,22)23/h1-6H,(H,27,28)
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Rattus norvegicus)
BDBM50044555
PNG
(CHEMBL3341957)
Show SMILES CCCc1c(C(O)=O)c(O)cc2C(=O)c3cccc(O)c3C(=O)c12
Show InChI InChI=1S/C18H14O6/c1-2-4-8-13-10(7-12(20)15(8)18(23)24)16(21)9-5-3-6-11(19)14(9)17(13)22/h3,5-7,19-20H,2,4H2,1H3,(H,23,24)
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n/an/a 6.00E+4n/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Inhibition of AP-1-mediated collagenase production in IL1alpha-stimulated Lewis rat synovial cells


J Med Chem 57: 6930-48 (2014)


Article DOI: 10.1021/jm5004733
BindingDB Entry DOI: 10.7270/Q2222WDT
More data for this
Ligand-Target Pair
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