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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 = 'BDBM50116897'   
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))
BDBM50116897
PNG
(CHEMBL3613031)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)OCCCCc2cnnn2CCCO)cc1OC(C)=O
Show InChI InChI=1S/C22H27N3O7/c1-16(27)31-20-9-7-18(14-21(20)32-17(2)28)8-10-22(29)30-13-4-3-6-19-15-23-24-25(19)11-5-12-26/h7-10,14-15,26H,3-6,11-13H2,1-2H3/b10-8+
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.10E+3n/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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50116897
PNG
(CHEMBL3613031)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)OCCCCc2cnnn2CCCO)cc1OC(C)=O
Show InChI InChI=1S/C22H27N3O7/c1-16(27)31-20-9-7-18(14-21(20)32-17(2)28)8-10-22(29)30-13-4-3-6-19-15-23-24-25(19)11-5-12-26/h7-10,14-15,26H,3-6,11-13H2,1-2H3/b10-8+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
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