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BDBM50334008 3-(2-(cyclohexylamino)pyridin-4-yl)-4-(naphthalen-2-yl)-1H-1,2,4-triazol-5(4H)-one::CHEMBL1644618

SMILES: O=c1[nH]nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1

InChI Key: InChIKey=IJTANTDZFOCBKK-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 = 50334008   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50334008
PNG
(3-(2-(cyclohexylamino)pyridin-4-yl)-4-(naphthalen-...)
Show SMILES O=c1[nH]nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1
Show InChI InChI=1S/C23H23N5O/c29-23-27-26-22(28(23)20-11-10-16-6-4-5-7-17(16)14-20)18-12-13-24-21(15-18)25-19-8-2-1-3-9-19/h4-7,10-15,19H,1-3,8-9H2,(H,24,25)(H,27,29)
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n/an/a 24n/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 9


(Homo sapiens (Human))
BDBM50334008
PNG
(3-(2-(cyclohexylamino)pyridin-4-yl)-4-(naphthalen-...)
Show SMILES O=c1[nH]nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1
Show InChI InChI=1S/C23H23N5O/c29-23-27-26-22(28(23)20-11-10-16-6-4-5-7-17(16)14-20)18-12-13-24-21(15-18)25-19-8-2-1-3-9-19/h4-7,10-15,19H,1-3,8-9H2,(H,24,25)(H,27,29)
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n/an/a 69n/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 14


(Homo sapiens (Human))
BDBM50334008
PNG
(3-(2-(cyclohexylamino)pyridin-4-yl)-4-(naphthalen-...)
Show SMILES O=c1[nH]nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1
Show InChI InChI=1S/C23H23N5O/c29-23-27-26-22(28(23)20-11-10-16-6-4-5-7-17(16)14-20)18-12-13-24-21(15-18)25-19-8-2-1-3-9-19/h4-7,10-15,19H,1-3,8-9H2,(H,24,25)(H,27,29)
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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))
BDBM50334008
PNG
(3-(2-(cyclohexylamino)pyridin-4-yl)-4-(naphthalen-...)
Show SMILES O=c1[nH]nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1
Show InChI InChI=1S/C23H23N5O/c29-23-27-26-22(28(23)20-11-10-16-6-4-5-7-17(16)14-20)18-12-13-24-21(15-18)25-19-8-2-1-3-9-19/h4-7,10-15,19H,1-3,8-9H2,(H,24,25)(H,27,29)
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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))
BDBM50334008
PNG
(3-(2-(cyclohexylamino)pyridin-4-yl)-4-(naphthalen-...)
Show SMILES O=c1[nH]nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1
Show InChI InChI=1S/C23H23N5O/c29-23-27-26-22(28(23)20-11-10-16-6-4-5-7-17(16)14-20)18-12-13-24-21(15-18)25-19-8-2-1-3-9-19/h4-7,10-15,19H,1-3,8-9H2,(H,24,25)(H,27,29)
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n/an/a 1.00E+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