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BDBM50346924 CHEMBL1795684

SMILES: C[C@@H](NC(=O)c1ccc(C)c(c1)-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O)C(N)=O

InChI Key: InChIKey=PJXHMPDPEACKNQ-GFCCVEGCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50346924   
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 14


(Homo sapiens (Human))
BDBM50346924
PNG
(CHEMBL1795684)
Show SMILES C[C@@H](NC(=O)c1ccc(C)c(c1)-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O)C(N)=O |r|
Show InChI InChI=1S/C22H19ClF2N4O4/c1-11-3-4-13(20(31)28-12(2)19(26)30)7-17(11)29-10-27-21(18(23)22(29)32)33-9-14-5-6-15(24)8-16(14)25/h3-8,10,12H,9H2,1-2H3,(H2,26,30)(H,28,31)/t12-/m1/s1
PDB
MMDB

NCI pathway
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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha kinase-dependent HSP-27 phosphorylation in human U937 cells


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair