BindingDB logo
myBDB logout

BDBM50078875 CHEMBL3416356

SMILES: CCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O

InChI Key: InChIKey=OWVHSBAUOYEPIK-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 = 50078875   
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
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50078875
PNG
(CHEMBL3416356)
Show SMILES CCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O
Show InChI InChI=1S/C16H24O4/c1-4-5-6-7-8-9-10-12-15(18)13(17)11-14(19-2)16(12)20-3/h11H,4-10H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 380n/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)

More data for this
Ligand-Target Pair
Macrophage-expressed gene 1 protein


(Homo sapiens)
BDBM50078875
PNG
(CHEMBL3416356)
Show SMILES CCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O
Show InChI InChI=1S/C16H24O4/c1-4-5-6-7-8-9-10-12-15(18)13(17)11-14(19-2)16(12)20-3/h11H,4-10H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/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)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50078875
PNG
(CHEMBL3416356)
Show SMILES CCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O
Show InChI InChI=1S/C16H24O4/c1-4-5-6-7-8-9-10-12-15(18)13(17)11-14(19-2)16(12)20-3/h11H,4-10H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 820n/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)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50078875
PNG
(CHEMBL3416356)
Show SMILES CCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O
Show InChI InChI=1S/C16H24O4/c1-4-5-6-7-8-9-10-12-15(18)13(17)11-14(19-2)16(12)20-3/h11H,4-10H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 330n/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)

More data for this
Ligand-Target Pair