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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 14' and Ligand = 'BDBM50344123'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50344123
PNG
((R)-6-(2,4-difluorophenoxy)-N-(1-(methylsulfonyl)p...)
Show SMILES C[C@H](CS(C)(=O)=O)Nc1[nH]nc2nc(Oc3ccc(F)cc3F)ncc12 |r|
Show InChI InChI=1S/C15H15F2N5O3S/c1-8(7-26(2,23)24)19-13-10-6-18-15(20-14(10)22-21-13)25-12-4-3-9(16)5-11(12)17/h3-6,8H,7H2,1-2H3,(H2,18,19,20,21,22)/t8-/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into myelin basic protein


Bioorg Med Chem Lett 21: 3452-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.098
BindingDB Entry DOI: 10.7270/Q26H4HR7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50344123
PNG
((R)-6-(2,4-difluorophenoxy)-N-(1-(methylsulfonyl)p...)
Show SMILES C[C@H](CS(C)(=O)=O)Nc1[nH]nc2nc(Oc3ccc(F)cc3F)ncc12 |r|
Show InChI InChI=1S/C15H15F2N5O3S/c1-8(7-26(2,23)24)19-13-10-6-18-15(20-14(10)22-21-13)25-12-4-3-9(16)5-11(12)17/h3-6,8H,7H2,1-2H3,(H2,18,19,20,21,22)/t8-/m1/s1
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UniChem

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MMDB
Article
PubMed
n/an/a 109n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into myelin basic protein


Bioorg Med Chem Lett 21: 3452-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.098
BindingDB Entry DOI: 10.7270/Q26H4HR7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50344123
PNG
((R)-6-(2,4-difluorophenoxy)-N-(1-(methylsulfonyl)p...)
Show SMILES C[C@H](CS(C)(=O)=O)Nc1[nH]nc2nc(Oc3ccc(F)cc3F)ncc12 |r|
Show InChI InChI=1S/C15H15F2N5O3S/c1-8(7-26(2,23)24)19-13-10-6-18-15(20-14(10)22-21-13)25-12-4-3-9(16)5-11(12)17/h3-6,8H,7H2,1-2H3,(H2,18,19,20,21,22)/t8-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

MMDB
Article
PubMed
n/an/an/a 1n/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 21: 3452-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.098
BindingDB Entry DOI: 10.7270/Q26H4HR7
More data for this
Ligand-Target Pair