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BDBM50078884 CHEMBL3416364

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

InChI Key: InChIKey=HTJGODRIWLDNFU-UKTHLTGXSA-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 = 50078884   
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))
BDBM50078884
PNG
(CHEMBL3416364)
Show SMILES [#6]-[#8]-[#6]-1=[#6]-[#6](=O)-[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]-1-[#8]-[#6] |c:18,t:2|
Show InChI InChI=1S/C18H24O4/c1-12(2)7-6-8-13(3)9-10-14-17(20)15(19)11-16(21-4)18(14)22-5/h7,9,11H,6,8,10H2,1-5H3/b13-9+
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 600n/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
Macrophage-expressed gene 1 protein


(Homo sapiens (Human))
BDBM50078884
PNG
(CHEMBL3416364)
Show SMILES [#6]-[#8]-[#6]-1=[#6]-[#6](=O)-[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]-1-[#8]-[#6] |c:18,t:2|
Show InChI InChI=1S/C18H24O4/c1-12(2)7-6-8-13(3)9-10-14-17(20)15(19)11-16(21-4)18(14)22-5/h7,9,11H,6,8,10H2,1-5H3/b13-9+
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
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)


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


(Homo sapiens (Human))
BDBM50078884
PNG
(CHEMBL3416364)
Show SMILES [#6]-[#8]-[#6]-1=[#6]-[#6](=O)-[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]-1-[#8]-[#6] |c:18,t:2|
Show InChI InChI=1S/C18H24O4/c1-12(2)7-6-8-13(3)9-10-14-17(20)15(19)11-16(21-4)18(14)22-5/h7,9,11H,6,8,10H2,1-5H3/b13-9+
PDB
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Reactome pathway
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PC cid
PC sid
UniChem
Article
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n/an/a 390n/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))
BDBM50078884
PNG
(CHEMBL3416364)
Show SMILES [#6]-[#8]-[#6]-1=[#6]-[#6](=O)-[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]-1-[#8]-[#6] |c:18,t:2|
Show InChI InChI=1S/C18H24O4/c1-12(2)7-6-8-13(3)9-10-14-17(20)15(19)11-16(21-4)18(14)22-5/h7,9,11H,6,8,10H2,1-5H3/b13-9+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
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)


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