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BDBM50333996 4-(naphthalen-2-yl)-3-(2-(tetrahydro-2H-pyran-4-ylamino)pyridin-4-yl)-1-(tetrahydrofuran-3-yl)-1H-1,2,4-triazol-5(4H)-one::CHEMBL1644640

SMILES: O=c1n(nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1)C1CCOC1

InChI Key: InChIKey=JPTYCOMKVYISJL-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 = 50333996   
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))
BDBM50333996
PNG
(4-(naphthalen-2-yl)-3-(2-(tetrahydro-2H-pyran-4-yl...)
Show SMILES O=c1n(nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1)C1CCOC1
Show InChI InChI=1S/C26H27N5O3/c32-26-30(22-6-5-18-3-1-2-4-19(18)15-22)25(29-31(26)23-10-14-34-17-23)20-7-11-27-24(16-20)28-21-8-12-33-13-9-21/h1-7,11,15-16,21,23H,8-10,12-14,17H2,(H,27,28)
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n/an/a 320n/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 21: 315-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.010
BindingDB Entry DOI: 10.7270/Q24F1R0T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50333996
PNG
(4-(naphthalen-2-yl)-3-(2-(tetrahydro-2H-pyran-4-yl...)
Show SMILES O=c1n(nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1)C1CCOC1
Show InChI InChI=1S/C26H27N5O3/c32-26-30(22-6-5-18-3-1-2-4-19(18)15-22)25(29-31(26)23-10-14-34-17-23)20-7-11-27-24(16-20)28-21-8-12-33-13-9-21/h1-7,11,15-16,21,23H,8-10,12-14,17H2,(H,27,28)
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n/an/a 92n/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 21: 315-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.010
BindingDB Entry DOI: 10.7270/Q24F1R0T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50333996
PNG
(4-(naphthalen-2-yl)-3-(2-(tetrahydro-2H-pyran-4-yl...)
Show SMILES O=c1n(nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1)C1CCOC1
Show InChI InChI=1S/C26H27N5O3/c32-26-30(22-6-5-18-3-1-2-4-19(18)15-22)25(29-31(26)23-10-14-34-17-23)20-7-11-27-24(16-20)28-21-8-12-33-13-9-21/h1-7,11,15-16,21,23H,8-10,12-14,17H2,(H,27,28)
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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 21: 315-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.010
BindingDB Entry DOI: 10.7270/Q24F1R0T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50333996
PNG
(4-(naphthalen-2-yl)-3-(2-(tetrahydro-2H-pyran-4-yl...)
Show SMILES O=c1n(nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1)C1CCOC1
Show InChI InChI=1S/C26H27N5O3/c32-26-30(22-6-5-18-3-1-2-4-19(18)15-22)25(29-31(26)23-10-14-34-17-23)20-7-11-27-24(16-20)28-21-8-12-33-13-9-21/h1-7,11,15-16,21,23H,8-10,12-14,17H2,(H,27,28)
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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 21: 315-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.010
BindingDB Entry DOI: 10.7270/Q24F1R0T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50333996
PNG
(4-(naphthalen-2-yl)-3-(2-(tetrahydro-2H-pyran-4-yl...)
Show SMILES O=c1n(nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1)C1CCOC1
Show InChI InChI=1S/C26H27N5O3/c32-26-30(22-6-5-18-3-1-2-4-19(18)15-22)25(29-31(26)23-10-14-34-17-23)20-7-11-27-24(16-20)28-21-8-12-33-13-9-21/h1-7,11,15-16,21,23H,8-10,12-14,17H2,(H,27,28)
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n/an/a 3.80E+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 21: 315-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.010
BindingDB Entry DOI: 10.7270/Q24F1R0T
More data for this
Ligand-Target Pair