BindingDB logo
myBDB logout

BDBM50347104 CHEMBL1797207

SMILES: Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1c(F)cc(O)cc1F

InChI Key: InChIKey=JOJCHTMOYUBWMZ-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50347104   
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))		BDBM50347104
PNG
(CHEMBL1797207)
Show SMILES Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1c(F)cc(O)cc1F |(26.27,-43.79,;24.93,-44.55,;23.6,-43.77,;22.28,-44.55,;20.94,-43.79,;19.61,-44.56,;18.27,-43.79,;16.95,-44.57,;15.62,-43.81,;15.61,-42.26,;14.27,-41.5,;16.94,-41.49,;18.28,-42.25,;19.61,-41.48,;22.28,-46.09,;20.94,-46.86,;23.6,-46.85,;23.6,-48.39,;24.93,-46.09,;26.27,-46.86,;27.59,-46.09,;27.59,-44.55,;28.92,-46.86,;28.93,-48.41,;30.26,-49.18,;27.59,-49.17,;26.26,-48.4,;24.92,-49.17,)|
Show InChI InChI=1S/C19H12BrF4NO3/c1-9-4-16(28-8-10-2-3-11(21)5-13(10)22)17(20)19(27)25(9)18-14(23)6-12(26)7-15(18)24/h2-7,26H,8H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents

Similars
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha assessed as phosphorylation of fluorescently-labelled MK2 using Hsp27 peptide as substrate after 60 mins by fluorescence assay

Bioorg Med Chem Lett 21: 4059-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.120
BindingDB Entry DOI: 10.7270/Q25Q4WFH
More data for this
Ligand-Target Pair