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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 14' and Ligand = 'BDBM13353'   
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))
BDBM13353
PNG
(3-fluoro-5-(morpholin-4-yl)-N-{1-[2-(pyridin-4-yl)...)
Show SMILES Fc1cc(cc(c1)C(=O)Nc1ccc2ccn(CCc3ccncc3)c2c1)N1CCOCC1
Show InChI InChI=1S/C26H25FN4O2/c27-22-15-21(16-24(17-22)30-11-13-33-14-12-30)26(32)29-23-2-1-20-6-10-31(25(20)18-23)9-5-19-3-7-28-8-4-19/h1-4,6-8,10,15-18H,5,9,11-14H2,(H,29,32)
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MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 340n/an/an/an/an/an/a



Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of p38alpha kinase


Nat Chem Biol 2: 358-64 (2006)


Article DOI: 10.1038/nchembio799
BindingDB Entry DOI: 10.7270/Q2CC10WV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM13353
PNG
(3-fluoro-5-(morpholin-4-yl)-N-{1-[2-(pyridin-4-yl)...)
Show SMILES Fc1cc(cc(c1)C(=O)Nc1ccc2ccn(CCc3ccncc3)c2c1)N1CCOCC1
Show InChI InChI=1S/C26H25FN4O2/c27-22-15-21(16-24(17-22)30-11-13-33-14-12-30)26(32)29-23-2-1-20-6-10-31(25(20)18-23)9-5-19-3-7-28-8-4-19/h1-4,6-8,10,15-18H,5,9,11-14H2,(H,29,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

DrugBank
MMDB
PDB
Article
PubMed
n/an/a 340n/an/an/an/a7.422



Astex



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 48: 414-26 (2005)


Article DOI: 10.1021/jm049575n
BindingDB Entry DOI: 10.7270/Q26M352S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)