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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 = 'BDBM50323436'   
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))
BDBM50323436
PNG
((1R)-2-(3-(3-tert-butyl-5-(3-phenylureido)-1H-pyra...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)C2CCCC[C@H]2C(O)=O)c1 |r|
Show InChI InChI=1S/C29H35N5O4/c1-29(2,3)24-17-25(32-28(38)31-20-11-5-4-6-12-20)34(33-24)21-13-9-10-19(16-21)18-30-26(35)22-14-7-8-15-23(22)27(36)37/h4-6,9-13,16-17,22-23H,7-8,14-15,18H2,1-3H3,(H,30,35)(H,36,37)(H2,31,32,38)/t22?,23-/m1/s1
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 57n/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))
BDBM50323436
PNG
((1R)-2-(3-(3-tert-butyl-5-(3-phenylureido)-1H-pyra...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)C2CCCC[C@H]2C(O)=O)c1 |r|
Show InChI InChI=1S/C29H35N5O4/c1-29(2,3)24-17-25(32-28(38)31-20-11-5-4-6-12-20)34(33-24)21-13-9-10-19(16-21)18-30-26(35)22-14-7-8-15-23(22)27(36)37/h4-6,9-13,16-17,22-23H,7-8,14-15,18H2,1-3H3,(H,30,35)(H,36,37)(H2,31,32,38)/t22?,23-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.36E+3n/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