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BDBM50078872 CHEMBL3416353

SMILES: [#6]-[#8]-[#6]-1=[#6]-[#6](=O)-[#6](-[#8]-[#6])=[#6](-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-1=O

InChI Key: InChIKey=MJCZYJAPBSHQDW-OUBUNXTGSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50078872   
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))
BDBM50078872
PNG
(CHEMBL3416353)
Show SMILES COC1=CC(=O)C(OC)=C(C\C=C(/C)CC\C=C(/C)CCC=C(C)C)C1=O
Show InChI InChI=1S/C23H32O4/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-19-22(25)21(26-5)15-20(24)23(19)27-6/h9,11,13,15H,7-8,10,12,14H2,1-6H3/b17-11+,18-13+
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PC cid
PC sid
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Article
PubMed
n/an/a 310n/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)
BDBM50078872
PNG
(CHEMBL3416353)
Show SMILES COC1=CC(=O)C(OC)=C(C\C=C(/C)CC\C=C(/C)CCC=C(C)C)C1=O
Show InChI InChI=1S/C23H32O4/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-19-22(25)21(26-5)15-20(24)23(19)27-6/h9,11,13,15H,7-8,10,12,14H2,1-6H3/b17-11+,18-13+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

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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))
BDBM50078872
PNG
(CHEMBL3416353)
Show SMILES COC1=CC(=O)C(OC)=C(C\C=C(/C)CC\C=C(/C)CCC=C(C)C)C1=O
Show InChI InChI=1S/C23H32O4/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-19-22(25)21(26-5)15-20(24)23(19)27-6/h9,11,13,15H,7-8,10,12,14H2,1-6H3/b17-11+,18-13+
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Article
PubMed
n/an/a 1.20E+3n/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))
BDBM50078872
PNG
(CHEMBL3416353)
Show SMILES COC1=CC(=O)C(OC)=C(C\C=C(/C)CC\C=C(/C)CCC=C(C)C)C1=O
Show InChI InChI=1S/C23H32O4/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-19-22(25)21(26-5)15-20(24)23(19)27-6/h9,11,13,15H,7-8,10,12,14H2,1-6H3/b17-11+,18-13+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+3n/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