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SMILES: CC(=O)N1CCCC(C1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccc(F)cc2)c1

InChI Key: InChIKey=GLWXMYOBTQMICW-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50178838   
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))
BDBM50178838
PNG
(1-acetyl-N-(4-(2-(4-fluorophenylamino)pyridin-4-yl...)
Show SMILES CC(=O)N1CCCC(C1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccc(F)cc2)c1
Show InChI InChI=1S/C24H24FN5O2/c1-16(31)30-12-2-3-19(15-30)24(32)29-23-14-18(9-11-27-23)17-8-10-26-22(13-17)28-21-6-4-20(25)5-7-21/h4-11,13-14,19H,2-3,12,15H2,1H3,(H,26,28)(H,27,29,32)
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n/an/a 15n/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 16: 1397-401 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.039
BindingDB Entry DOI: 10.7270/Q2KP81R3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50178838
PNG
(1-acetyl-N-(4-(2-(4-fluorophenylamino)pyridin-4-yl...)
Show SMILES CC(=O)N1CCCC(C1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccc(F)cc2)c1
Show InChI InChI=1S/C24H24FN5O2/c1-16(31)30-12-2-3-19(15-30)24(32)29-23-14-18(9-11-27-23)17-8-10-26-22(13-17)28-21-6-4-20(25)5-7-21/h4-11,13-14,19H,2-3,12,15H2,1H3,(H,26,28)(H,27,29,32)
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n/an/a 171n/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 16: 1397-401 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.039
BindingDB Entry DOI: 10.7270/Q2KP81R3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50178838
PNG
(1-acetyl-N-(4-(2-(4-fluorophenylamino)pyridin-4-yl...)
Show SMILES CC(=O)N1CCCC(C1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccc(F)cc2)c1
Show InChI InChI=1S/C24H24FN5O2/c1-16(31)30-12-2-3-19(15-30)24(32)29-23-14-18(9-11-27-23)17-8-10-26-22(13-17)28-21-6-4-20(25)5-7-21/h4-11,13-14,19H,2-3,12,15H2,1H3,(H,26,28)(H,27,29,32)
PDB
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KEGG

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PC sid
UniChem

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Article
PubMed
n/an/a 85n/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 16: 1397-401 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.039
BindingDB Entry DOI: 10.7270/Q2KP81R3
More data for this
Ligand-Target Pair