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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50446419   
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))
BDBM50446419
PNG
(CHEMBL3109719)
Show SMILES COC1=CC(=O)C(Oc2ccc3ccccc3c2)=CC1=O |c:19,t:2|
Show InChI InChI=1S/C17H12O4/c1-20-16-9-15(19)17(10-14(16)18)21-13-7-6-11-4-2-3-5-12(11)8-13/h2-10H,1H3
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 280n/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))
BDBM50446419
PNG
(CHEMBL3109719)
Show SMILES COC1=CC(=O)C(Oc2ccc3ccccc3c2)=CC1=O |c:19,t:2|
Show InChI InChI=1S/C17H12O4/c1-20-16-9-15(19)17(10-14(16)18)21-13-7-6-11-4-2-3-5-12(11)8-13/h2-10H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.70E+3n/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