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SMILES: COc1cc(\C=C\C(=O)\C=C\c2cc(F)c(O)c(OC)c2)cc(F)c1O

InChI Key: InChIKey=FBNPNEIMXKOBBP-GGWOSOGESA-N

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 4 hits for monomerid = 50020585   
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
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50020585
PNG
(CHEMBL3290186)
Show SMILES COc1cc(\C=C\C(=O)\C=C\c2cc(F)c(O)c(OC)c2)cc(F)c1O
Show InChI InChI=1S/C19H16F2O5/c1-25-16-9-11(7-14(20)18(16)23)3-5-13(22)6-4-12-8-15(21)19(24)17(10-12)26-2/h3-10,23-24H,1-2H3/b5-3+,6-4+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.10E+3n/an/an/an/a



University Jena

Curated by ChEMBL


Assay Description
Activation of Nrf2 transcriptional activity in human LNCaP cells after 6 hrs by luciferase reporter gene assay relative to tert-butylhydroquinone


J Med Chem 57: 5638-48 (2014)


Article DOI: 10.1021/jm500308c
BindingDB Entry DOI: 10.7270/Q2HT2QWN
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50020585
PNG
(CHEMBL3290186)
Show SMILES COc1cc(\C=C\C(=O)\C=C\c2cc(F)c(O)c(OC)c2)cc(F)c1O
Show InChI InChI=1S/C19H16F2O5/c1-25-16-9-11(7-14(20)18(16)23)3-5-13(22)6-4-12-8-15(21)19(24)17(10-12)26-2/h3-10,23-24H,1-2H3/b5-3+,6-4+
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 600n/an/an/an/an/an/a



University Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO expressed in Escherichia coli Bl21 (DE3) using arachidonic acid as substrate preincubated for 10 mins measured a...


J Med Chem 57: 5638-48 (2014)


Article DOI: 10.1021/jm500308c
BindingDB Entry DOI: 10.7270/Q2HT2QWN
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50020585
PNG
(CHEMBL3290186)
Show SMILES COc1cc(\C=C\C(=O)\C=C\c2cc(F)c(O)c(OC)c2)cc(F)c1O
Show InChI InChI=1S/C19H16F2O5/c1-25-16-9-11(7-14(20)18(16)23)3-5-13(22)6-4-12-8-15(21)19(24)17(10-12)26-2/h3-10,23-24H,1-2H3/b5-3+,6-4+
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.94E+4n/an/an/an/an/an/a



University Jena

Curated by ChEMBL


Assay Description
Inhibition of STAT3 transcriptional activity in human HaCaT cells after 6 hrs by luciferase reporter gene assay


J Med Chem 57: 5638-48 (2014)


Article DOI: 10.1021/jm500308c
BindingDB Entry DOI: 10.7270/Q2HT2QWN
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50020585
PNG
(CHEMBL3290186)
Show SMILES COc1cc(\C=C\C(=O)\C=C\c2cc(F)c(O)c(OC)c2)cc(F)c1O
Show InChI InChI=1S/C19H16F2O5/c1-25-16-9-11(7-14(20)18(16)23)3-5-13(22)6-4-12-8-15(21)19(24)17(10-12)26-2/h3-10,23-24H,1-2H3/b5-3+,6-4+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 8.10E+3n/an/an/an/an/an/a



University Jena

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils using arachidonic acid as substrate preincubated for 15 mins measured after 10 mins by HPLC analysis


J Med Chem 57: 5638-48 (2014)


Article DOI: 10.1021/jm500308c
BindingDB Entry DOI: 10.7270/Q2HT2QWN
More data for this
Ligand-Target Pair