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BDBM50338286 CHEMBL1682009::N-(4-methyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)thiophen-2-yl)-2-(quinoxalin-5-yl)acetamide

SMILES: Cc1nnc([nH]1)-c1c(C)csc1NC(=O)Cc1cccc2nccnc12

InChI Key: InChIKey=UBQAXNUSTYBVJI-UHFFFAOYSA-N

Data: 5 IC50

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 = 50338286   
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 9


(Homo sapiens (Human))
BDBM50338286
PNG
(CHEMBL1682009 | N-(4-methyl-3-(3-methyl-1H-1,2,4-t...)
Show SMILES Cc1nnc([nH]1)-c1c(C)csc1NC(=O)Cc1cccc2nccnc12
Show InChI InChI=1S/C18H16N6OS/c1-10-9-26-18(15(10)17-21-11(2)23-24-17)22-14(25)8-12-4-3-5-13-16(12)20-7-6-19-13/h3-7,9H,8H2,1-2H3,(H,22,25)(H,21,23,24)
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n/an/a 230n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 1838-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.046
BindingDB Entry DOI: 10.7270/Q2Q52PX0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50338286
PNG
(CHEMBL1682009 | N-(4-methyl-3-(3-methyl-1H-1,2,4-t...)
Show SMILES Cc1nnc([nH]1)-c1c(C)csc1NC(=O)Cc1cccc2nccnc12
Show InChI InChI=1S/C18H16N6OS/c1-10-9-26-18(15(10)17-21-11(2)23-24-17)22-14(25)8-12-4-3-5-13-16(12)20-7-6-19-13/h3-7,9H,8H2,1-2H3,(H,22,25)(H,21,23,24)
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n/an/a 298n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 1838-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.046
BindingDB Entry DOI: 10.7270/Q2Q52PX0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50338286
PNG
(CHEMBL1682009 | N-(4-methyl-3-(3-methyl-1H-1,2,4-t...)
Show SMILES Cc1nnc([nH]1)-c1c(C)csc1NC(=O)Cc1cccc2nccnc12
Show InChI InChI=1S/C18H16N6OS/c1-10-9-26-18(15(10)17-21-11(2)23-24-17)22-14(25)8-12-4-3-5-13-16(12)20-7-6-19-13/h3-7,9H,8H2,1-2H3,(H,22,25)(H,21,23,24)
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n/an/a 594n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 1838-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.046
BindingDB Entry DOI: 10.7270/Q2Q52PX0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50338286
PNG
(CHEMBL1682009 | N-(4-methyl-3-(3-methyl-1H-1,2,4-t...)
Show SMILES Cc1nnc([nH]1)-c1c(C)csc1NC(=O)Cc1cccc2nccnc12
Show InChI InChI=1S/C18H16N6OS/c1-10-9-26-18(15(10)17-21-11(2)23-24-17)22-14(25)8-12-4-3-5-13-16(12)20-7-6-19-13/h3-7,9H,8H2,1-2H3,(H,22,25)(H,21,23,24)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERK2 after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 21: 1838-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.046
BindingDB Entry DOI: 10.7270/Q2Q52PX0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50338286
PNG
(CHEMBL1682009 | N-(4-methyl-3-(3-methyl-1H-1,2,4-t...)
Show SMILES Cc1nnc([nH]1)-c1c(C)csc1NC(=O)Cc1cccc2nccnc12
Show InChI InChI=1S/C18H16N6OS/c1-10-9-26-18(15(10)17-21-11(2)23-24-17)22-14(25)8-12-4-3-5-13-16(12)20-7-6-19-13/h3-7,9H,8H2,1-2H3,(H,22,25)(H,21,23,24)
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Article
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n/an/a>5.00E+3n/an/an/an/an/an/a



Elan Pharmaceuticals, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 1838-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.046
BindingDB Entry DOI: 10.7270/Q2Q52PX0
More data for this
Ligand-Target Pair