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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 = 'BDBM50323420'   
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))
BDBM50323420
PNG
(CHEMBL1209343 | N-(2-(3-(3-tert-butyl-5-(3-phenylu...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)CNC(=O)c2ccco2)c1
Show InChI InChI=1S/C28H30N6O4/c1-28(2,3)23-16-24(32-27(37)31-20-10-5-4-6-11-20)34(33-23)21-12-7-9-19(15-21)17-29-25(35)18-30-26(36)22-13-8-14-38-22/h4-16H,17-18H2,1-3H3,(H,29,35)(H,30,36)(H2,31,32,37)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323420
PNG
(CHEMBL1209343 | N-(2-(3-(3-tert-butyl-5-(3-phenylu...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)CNC(=O)c2ccco2)c1
Show InChI InChI=1S/C28H30N6O4/c1-28(2,3)23-16-24(32-27(37)31-20-10-5-4-6-11-20)34(33-23)21-12-7-9-19(15-21)17-29-25(35)18-30-26(36)22-13-8-14-38-22/h4-16H,17-18H2,1-3H3,(H,29,35)(H,30,36)(H2,31,32,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 88n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of active p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair