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SMILES: O=c1n(nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1)-c1ccccn1

InChI Key: InChIKey=YPAADIPEHKVUEJ-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 = 50333981   
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))
BDBM50333981
PNG
(4-(naphthalen-2-yl)-1-(pyridin-2-yl)-3-(2-(tetrahy...)
Show SMILES O=c1n(nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1)-c1ccccn1
Show InChI InChI=1S/C27H24N6O2/c34-27-32(23-9-8-19-5-1-2-6-20(19)17-23)26(31-33(27)25-7-3-4-13-29-25)21-10-14-28-24(18-21)30-22-11-15-35-16-12-22/h1-10,13-14,17-18,22H,11-12,15-16H2,(H,28,30)
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n/an/a 100n/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))
BDBM50333981
PNG
(4-(naphthalen-2-yl)-1-(pyridin-2-yl)-3-(2-(tetrahy...)
Show SMILES O=c1n(nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1)-c1ccccn1
Show InChI InChI=1S/C27H24N6O2/c34-27-32(23-9-8-19-5-1-2-6-20(19)17-23)26(31-33(27)25-7-3-4-13-29-25)21-10-14-28-24(18-21)30-22-11-15-35-16-12-22/h1-10,13-14,17-18,22H,11-12,15-16H2,(H,28,30)
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n/an/a 150n/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 1


(Homo sapiens (Human))
BDBM50333981
PNG
(4-(naphthalen-2-yl)-1-(pyridin-2-yl)-3-(2-(tetrahy...)
Show SMILES O=c1n(nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1)-c1ccccn1
Show InChI InChI=1S/C27H24N6O2/c34-27-32(23-9-8-19-5-1-2-6-20(19)17-23)26(31-33(27)25-7-3-4-13-29-25)21-10-14-28-24(18-21)30-22-11-15-35-16-12-22/h1-10,13-14,17-18,22H,11-12,15-16H2,(H,28,30)
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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))
BDBM50333981
PNG
(4-(naphthalen-2-yl)-1-(pyridin-2-yl)-3-(2-(tetrahy...)
Show SMILES O=c1n(nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1)-c1ccccn1
Show InChI InChI=1S/C27H24N6O2/c34-27-32(23-9-8-19-5-1-2-6-20(19)17-23)26(31-33(27)25-7-3-4-13-29-25)21-10-14-28-24(18-21)30-22-11-15-35-16-12-22/h1-10,13-14,17-18,22H,11-12,15-16H2,(H,28,30)
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n/an/a 1.40E+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 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))
BDBM50333981
PNG
(4-(naphthalen-2-yl)-1-(pyridin-2-yl)-3-(2-(tetrahy...)
Show SMILES O=c1n(nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1)-c1ccccn1
Show InChI InChI=1S/C27H24N6O2/c34-27-32(23-9-8-19-5-1-2-6-20(19)17-23)26(31-33(27)25-7-3-4-13-29-25)21-10-14-28-24(18-21)30-22-11-15-35-16-12-22/h1-10,13-14,17-18,22H,11-12,15-16H2,(H,28,30)
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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