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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50116892'   
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))
BDBM50116892
PNG
(CHEMBL3613036)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)OCCCn2cc(CCO)nn2)cc1OC(C)=O
Show InChI InChI=1S/C20H23N3O7/c1-14(25)29-18-6-4-16(12-19(18)30-15(2)26)5-7-20(27)28-11-3-9-23-13-17(8-10-24)21-22-23/h4-7,12-13,24H,3,8-11H2,1-2H3/b7-5+
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.60E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in human neutrophils assessed as reduction in LTB4 and 5-H(P)ETE) formation pre-incubated for 15 mins before A23187 and arachidon...


Eur J Med Chem 101: 573-83 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.011
BindingDB Entry DOI: 10.7270/Q2V69MDP
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50116892
PNG
(CHEMBL3613036)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)OCCCn2cc(CCO)nn2)cc1OC(C)=O
Show InChI InChI=1S/C20H23N3O7/c1-14(25)29-18-6-4-16(12-19(18)30-15(2)26)5-7-20(27)28-11-3-9-23-13-17(8-10-24)21-22-23/h4-7,12-13,24H,3,8-11H2,1-2H3/b7-5+
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 Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human 5-LOX expressed in Escherichia coli Bl21 (DE3) assessed as reduction in LTB4 and 5-H(P)ETE) formation pre-incubated for 10 mins b...


Eur J Med Chem 101: 573-83 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.011
BindingDB Entry DOI: 10.7270/Q2V69MDP
More data for this
Ligand-Target Pair