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BDBM50078866 CHEMBL3416347

SMILES: CCCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)C1=O

InChI Key: InChIKey=WECFYLTWKHHBTN-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50078866   
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
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50078866
PNG
(CHEMBL3416347)
Show SMILES CCCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)C1=O |c:12,t:18|
Show InChI InChI=1S/C20H32O4/c1-4-5-6-7-8-9-10-11-12-13-14-16-19(22)18(23-2)15-17(21)20(16)24-3/h15H,4-14H2,1-3H3
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 630n/an/an/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in A23187-stimulated human blood PMNL assessed as reduction in lipoxygenase products formation pre-incubated for 15 mins followed...


Eur J Med Chem 94: 132-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.042
More data for this
Ligand-Target Pair
Macrophage-expressed gene 1 protein


(Homo sapiens (Human))
BDBM50078866
PNG
(CHEMBL3416347)
Show SMILES CCCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)C1=O |c:12,t:18|
Show InChI InChI=1S/C20H32O4/c1-4-5-6-7-8-9-10-11-12-13-14-16-19(22)18(23-2)15-17(21)20(16)24-3/h15H,4-14H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL-1beta stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 synthase activity after 15 mins using ...


Eur J Med Chem 94: 132-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.042
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50078866
PNG
(CHEMBL3416347)
Show SMILES CCCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)C1=O |c:12,t:18|
Show InChI InChI=1S/C20H32O4/c1-4-5-6-7-8-9-10-11-12-13-14-16-19(22)18(23-2)15-17(21)20(16)24-3/h15H,4-14H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 490n/an/an/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in A23187-stimulated human blood PMNL assessed as reduction in lipoxygenase products formation in presence of arachidonic acid pr...


Eur J Med Chem 94: 132-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.042
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50078866
PNG
(CHEMBL3416347)
Show SMILES CCCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)C1=O |c:12,t:18|
Show InChI InChI=1S/C20H32O4/c1-4-5-6-7-8-9-10-11-12-13-14-16-19(22)18(23-2)15-17(21)20(16)24-3/h15H,4-14H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 610n/an/an/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 incubated for 10 mins in presence of arachidonic acid by RP-HPLC based cell-...


Eur J Med Chem 94: 132-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.042
More data for this
Ligand-Target Pair