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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-Lipoxygenase' and Monomerid = 11639   
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
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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PC sid
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Article
PubMed
n/an/a 6.87E+3n/an/an/an/an/an/a



Alexandria University



Assay Description
All the newly synthesized compounds were also evaluated in vitro for their ability to inhibit lipoxygenase enzyme. This was carried out using Abnova ...


Bioorg Chem 72: 102-115 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.012
BindingDB Entry DOI: 10.7270/Q2W9581F
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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CHEMBL
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KEGG
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PC cid
PC sid
PDB
UniChem

Patents


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



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis


J Med Chem 47: 6195-206 (2004)


Article DOI: 10.1021/jm0407761
BindingDB Entry DOI: 10.7270/Q2DR2V01
More data for this
Ligand-Target Pair