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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50446416   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446416
PNG
(CHEMBL3109717)
Show SMILES O=C1CC(=O)C(=CC1=O)c1cccc2c3ccccc3oc12 |c:5|
Show InChI InChI=1S/C18H10O4/c19-14-9-16(21)15(20)8-13(14)12-6-3-5-11-10-4-1-2-7-17(10)22-18(11)12/h1-8H,9H2
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 800n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate after 10 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446416
PNG
(CHEMBL3109717)
Show SMILES O=C1CC(=O)C(=CC1=O)c1cccc2c3ccccc3oc12 |c:5|
Show InChI InChI=1S/C18H10O4/c19-14-9-16(21)15(20)8-13(14)12-6-3-5-11-10-4-1-2-7-17(10)22-18(11)12/h1-8H,9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human PMNL using arachidonic acid as substrate preincubated for 15 mins


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair