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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50010287   
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))
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



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells


J Med Chem 43: 3995-4004 (2000)


BindingDB Entry DOI: 10.7270/Q26M363N
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



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells


J Med Chem 43: 3995-4004 (2000)


BindingDB Entry DOI: 10.7270/Q26M363N
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



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells


J Med Chem 43: 3995-4004 (2000)


BindingDB Entry DOI: 10.7270/Q26M363N
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



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells


J Med Chem 43: 3995-4004 (2000)


BindingDB Entry DOI: 10.7270/Q26M363N
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50092890
PNG
(2-Chloro-pyrimidine-5-carboxylic acid (3,5-bis-tri...)
Show SMILES FC(F)(F)c1cc(NC(=O)c2cnc(Cl)nc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C13H6ClF6N3O/c14-11-21-4-6(5-22-11)10(24)23-9-2-7(12(15,16)17)1-8(3-9)13(18,19)20/h1-5H,(H,23,24)
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n/an/a 300n/an/an/an/an/an/a



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells


J Med Chem 43: 3995-4004 (2000)


BindingDB Entry DOI: 10.7270/Q26M363N
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50092872
PNG
(2-Chloro-4-ethyl-pyrimidine-5-carboxylic acid (3,5...)
Show SMILES CCc1nc(Cl)ncc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H10ClF6N3O/c1-2-11-10(6-23-13(16)25-11)12(26)24-9-4-7(14(17,18)19)3-8(5-9)15(20,21)22/h3-6H,2H2,1H3,(H,24,26)
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n/an/a 300n/an/an/an/an/an/a



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells


J Med Chem 43: 3995-4004 (2000)


BindingDB Entry DOI: 10.7270/Q26M363N
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



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells


J Med Chem 43: 3995-4004 (2000)


BindingDB Entry DOI: 10.7270/Q26M363N
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50092871
PNG
(2-Chloro-4-propyl-pyrimidine-5-carboxylic acid (3,...)
Show SMILES CCCc1nc(Cl)ncc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H12ClF6N3O/c1-2-3-12-11(7-24-14(17)26-12)13(27)25-10-5-8(15(18,19)20)4-9(6-10)16(21,22)23/h4-7H,2-3H2,1H3,(H,25,27)
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n/an/a 500n/an/an/an/an/an/a



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells


J Med Chem 43: 3995-4004 (2000)


BindingDB Entry DOI: 10.7270/Q26M363N
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50092880
PNG
(2-Chloro-4-pentafluoroethyl-pyrimidine-5-carboxyli...)
Show SMILES FC(F)(F)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)C(F)(F)F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C15H5ClF11N3O/c16-11-28-4-8(9(30-11)12(17,18)15(25,26)27)10(31)29-7-2-5(13(19,20)21)1-6(3-7)14(22,23)24/h1-4H,(H,29,31)
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n/an/a 600n/an/an/an/an/an/a



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells


J Med Chem 43: 3995-4004 (2000)


BindingDB Entry DOI: 10.7270/Q26M363N
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



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells


J Med Chem 43: 3995-4004 (2000)


BindingDB Entry DOI: 10.7270/Q26M363N
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



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells


J Med Chem 43: 3995-4004 (2000)


BindingDB Entry DOI: 10.7270/Q26M363N
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50092886
PNG
(2-Chloro-4-thiophen-2-yl-pyrimidine-5-carboxylic a...)
Show SMILES FC(F)(F)c1cc(NC(=O)c2cnc(Cl)nc2-c2cccs2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C17H8ClF6N3OS/c18-15-25-7-11(13(27-15)12-2-1-3-29-12)14(28)26-10-5-8(16(19,20)21)4-9(6-10)17(22,23)24/h1-7H,(H,26,28)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells


J Med Chem 43: 3995-4004 (2000)


BindingDB Entry DOI: 10.7270/Q26M363N
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



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells


J Med Chem 43: 3995-4004 (2000)


BindingDB Entry DOI: 10.7270/Q26M363N
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50092881
PNG
(2-Trifluoromethyl-pyrimidine-5-carboxylic acid (3,...)
Show SMILES FC(F)(F)c1cc(NC(=O)c2cnc(nc2)C(F)(F)F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C14H6F9N3O/c15-12(16,17)7-1-8(13(18,19)20)3-9(2-7)26-10(27)6-4-24-11(25-5-6)14(21,22)23/h1-5H,(H,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells


J Med Chem 43: 3995-4004 (2000)


BindingDB Entry DOI: 10.7270/Q26M363N
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50092875
PNG
(2,6-Dichloro-pyrimidine-4-carboxylic acid (3,5-bis...)
Show SMILES FC(F)(F)c1cc(NC(=O)c2cc(Cl)nc(Cl)n2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C13H5Cl2F6N3O/c14-9-4-8(23-11(15)24-9)10(25)22-7-2-5(12(16,17)18)1-6(3-7)13(19,20)21/h1-4H,(H,22,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells


J Med Chem 43: 3995-4004 (2000)


BindingDB Entry DOI: 10.7270/Q26M363N
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50092876
PNG
(2-Phenyl-pyrimidine-5-carboxylic acid (3,5-bis-tri...)
Show SMILES FC(F)(F)c1cc(NC(=O)c2cnc(nc2)-c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C19H11F6N3O/c20-18(21,22)13-6-14(19(23,24)25)8-15(7-13)28-17(29)12-9-26-16(27-10-12)11-4-2-1-3-5-11/h1-10H,(H,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells


J Med Chem 43: 3995-4004 (2000)


BindingDB Entry DOI: 10.7270/Q26M363N
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



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells


J Med Chem 43: 3995-4004 (2000)


BindingDB Entry DOI: 10.7270/Q26M363N
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50092870
PNG
(2-Methyl-4-trifluoromethyl-pyrimidine-5-carboxylic...)
Show SMILES Cc1ncc(C(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(n1)C(F)(F)F
Show InChI InChI=1S/C15H8F9N3O/c1-6-25-5-10(11(26-6)15(22,23)24)12(28)27-9-3-7(13(16,17)18)2-8(4-9)14(19,20)21/h2-5H,1H3,(H,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells


J Med Chem 43: 3995-4004 (2000)


BindingDB Entry DOI: 10.7270/Q26M363N
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50092869
PNG
(2-Chloro-6-methyl-pyrimidine-4-carboxylic acid (3,...)
Show SMILES Cc1cc(nc(Cl)n1)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C14H8ClF6N3O/c1-6-2-10(24-12(15)22-6)11(25)23-9-4-7(13(16,17)18)3-8(5-9)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



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells


J Med Chem 43: 3995-4004 (2000)


BindingDB Entry DOI: 10.7270/Q26M363N
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50092891
PNG
(2-Chloro-6-trifluoromethyl-pyrimidine-4-carboxylic...)
Show SMILES FC(F)(F)c1cc(NC(=O)c2cc(nc(Cl)n2)C(F)(F)F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C14H5ClF9N3O/c15-11-26-8(4-9(27-11)14(22,23)24)10(28)25-7-2-5(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



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells


J Med Chem 43: 3995-4004 (2000)


BindingDB Entry DOI: 10.7270/Q26M363N
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50092888
PNG
(4-Chloro-2-trifluoromethyl-pyrimidine-5-carboxylic...)
Show SMILES FC(F)(F)c1cc(NC(=O)c2cnc(nc2Cl)C(F)(F)F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C14H5ClF9N3O/c15-9-8(4-25-11(27-9)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>1.00E+4n/an/an/an/an/an/a



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells


J Med Chem 43: 3995-4004 (2000)


BindingDB Entry DOI: 10.7270/Q26M363N
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50092887
PNG
(4-Methyl-2-trifluoromethyl-pyrimidine-5-carboxylic...)
Show SMILES Cc1nc(ncc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H8F9N3O/c1-6-10(5-25-12(26-6)15(22,23)24)11(28)27-9-3-7(13(16,17)18)2-8(4-9)14(19,20)21/h2-5H,1H3,(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells


J Med Chem 43: 3995-4004 (2000)


BindingDB Entry DOI: 10.7270/Q26M363N
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)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells


J Med Chem 43: 3995-4004 (2000)


BindingDB Entry DOI: 10.7270/Q26M363N
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)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Signal Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells


J Med Chem 43: 3995-4004 (2000)


BindingDB Entry DOI: 10.7270/Q26M363N
More data for this
Ligand-Target Pair