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BDBM50334010 (S)-4-(naphthalen-2-yl)-3-(2-(1-phenylethylamino)pyridin-4-yl)-1H-1,2,4-triazol-5(4H)-one::CHEMBL1644628

SMILES: C[C@H](Nc1cc(ccn1)-c1n[nH]c(=O)n1-c1ccc2ccccc2c1)c1ccccc1

InChI Key: InChIKey=SSWRNLLUXXNMGJ-KRWDZBQOSA-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 = 50334010   
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 10


(Homo sapiens (Human))
BDBM50334010
PNG
((S)-4-(naphthalen-2-yl)-3-(2-(1-phenylethylamino)p...)
Show SMILES C[C@H](Nc1cc(ccn1)-c1n[nH]c(=O)n1-c1ccc2ccccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C25H21N5O/c1-17(18-7-3-2-4-8-18)27-23-16-21(13-14-26-23)24-28-29-25(31)30(24)22-12-11-19-9-5-6-10-20(19)15-22/h2-17H,1H3,(H,26,27)(H,29,31)/t17-/m0/s1
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PubMed
n/an/a 3.90E+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 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))
BDBM50334010
PNG
((S)-4-(naphthalen-2-yl)-3-(2-(1-phenylethylamino)p...)
Show SMILES C[C@H](Nc1cc(ccn1)-c1n[nH]c(=O)n1-c1ccc2ccccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C25H21N5O/c1-17(18-7-3-2-4-8-18)27-23-16-21(13-14-26-23)24-28-29-25(31)30(24)22-12-11-19-9-5-6-10-20(19)15-22/h2-17H,1H3,(H,26,27)(H,29,31)/t17-/m0/s1
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n/an/a>5.00E+3n/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))
BDBM50334010
PNG
((S)-4-(naphthalen-2-yl)-3-(2-(1-phenylethylamino)p...)
Show SMILES C[C@H](Nc1cc(ccn1)-c1n[nH]c(=O)n1-c1ccc2ccccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C25H21N5O/c1-17(18-7-3-2-4-8-18)27-23-16-21(13-14-26-23)24-28-29-25(31)30(24)22-12-11-19-9-5-6-10-20(19)15-22/h2-17H,1H3,(H,26,27)(H,29,31)/t17-/m0/s1
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n/an/a>5.00E+3n/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))
BDBM50334010
PNG
((S)-4-(naphthalen-2-yl)-3-(2-(1-phenylethylamino)p...)
Show SMILES C[C@H](Nc1cc(ccn1)-c1n[nH]c(=O)n1-c1ccc2ccccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C25H21N5O/c1-17(18-7-3-2-4-8-18)27-23-16-21(13-14-26-23)24-28-29-25(31)30(24)22-12-11-19-9-5-6-10-20(19)15-22/h2-17H,1H3,(H,26,27)(H,29,31)/t17-/m0/s1
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n/an/a>5.00E+3n/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))
BDBM50334010
PNG
((S)-4-(naphthalen-2-yl)-3-(2-(1-phenylethylamino)p...)
Show SMILES C[C@H](Nc1cc(ccn1)-c1n[nH]c(=O)n1-c1ccc2ccccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C25H21N5O/c1-17(18-7-3-2-4-8-18)27-23-16-21(13-14-26-23)24-28-29-25(31)30(24)22-12-11-19-9-5-6-10-20(19)15-22/h2-17H,1H3,(H,26,27)(H,29,31)/t17-/m0/s1
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n/an/a>5.00E+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