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SMILES: COc1ccc(CC(=O)Nc2ccsc2-c2nnc([nH]2)C(F)(F)F)cc1

InChI Key: InChIKey=WKKHWEMTBODBGE-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50332079   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50332079
PNG
(2-(4-methoxyphenyl)-N-(2-(5-(trifluoromethyl)-1H-1...)
Show SMILES COc1ccc(CC(=O)Nc2ccsc2-c2nnc([nH]2)C(F)(F)F)cc1
Show InChI InChI=1S/C16H13F3N4O2S/c1-25-10-4-2-9(3-5-10)8-12(24)20-11-6-7-26-13(11)14-21-15(23-22-14)16(17,18)19/h2-7H,8H2,1H3,(H,20,24)(H,21,22,23)
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PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK1 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 20: 7303-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.066
BindingDB Entry DOI: 10.7270/Q20865JW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50332079
PNG
(2-(4-methoxyphenyl)-N-(2-(5-(trifluoromethyl)-1H-1...)
Show SMILES COc1ccc(CC(=O)Nc2ccsc2-c2nnc([nH]2)C(F)(F)F)cc1
Show InChI InChI=1S/C16H13F3N4O2S/c1-25-10-4-2-9(3-5-10)8-12(24)20-11-6-7-26-13(11)14-21-15(23-22-14)16(17,18)19/h2-7H,8H2,1H3,(H,20,24)(H,21,22,23)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK2 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 20: 7303-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.066
BindingDB Entry DOI: 10.7270/Q20865JW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50332079
PNG
(2-(4-methoxyphenyl)-N-(2-(5-(trifluoromethyl)-1H-1...)
Show SMILES COc1ccc(CC(=O)Nc2ccsc2-c2nnc([nH]2)C(F)(F)F)cc1
Show InChI InChI=1S/C16H13F3N4O2S/c1-25-10-4-2-9(3-5-10)8-12(24)20-11-6-7-26-13(11)14-21-15(23-22-14)16(17,18)19/h2-7H,8H2,1H3,(H,20,24)(H,21,22,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant p38alpha after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 20: 7303-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.066
BindingDB Entry DOI: 10.7270/Q20865JW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50332079
PNG
(2-(4-methoxyphenyl)-N-(2-(5-(trifluoromethyl)-1H-1...)
Show SMILES COc1ccc(CC(=O)Nc2ccsc2-c2nnc([nH]2)C(F)(F)F)cc1
Show InChI InChI=1S/C16H13F3N4O2S/c1-25-10-4-2-9(3-5-10)8-12(24)20-11-6-7-26-13(11)14-21-15(23-22-14)16(17,18)19/h2-7H,8H2,1H3,(H,20,24)(H,21,22,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant Erk2 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 20: 7303-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.066
BindingDB Entry DOI: 10.7270/Q20865JW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50332079
PNG
(2-(4-methoxyphenyl)-N-(2-(5-(trifluoromethyl)-1H-1...)
Show SMILES COc1ccc(CC(=O)Nc2ccsc2-c2nnc([nH]2)C(F)(F)F)cc1
Show InChI InChI=1S/C16H13F3N4O2S/c1-25-10-4-2-9(3-5-10)8-12(24)20-11-6-7-26-13(11)14-21-15(23-22-14)16(17,18)19/h2-7H,8H2,1H3,(H,20,24)(H,21,22,23)
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n/an/a 5.90E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 20: 7303-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.066
BindingDB Entry DOI: 10.7270/Q20865JW
More data for this
Ligand-Target Pair