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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-Lipoxygenase' and Monomerid = 50058555   
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


(Rattus norvegicus)
BDBM50058555
PNG
(CHEMBL58463 | N-[1-(4-chloro-1-benzothien-2-yl)eth...)
Show SMILES CC(N(O)C(N)=O)c1cc2c(Cl)cccc2s1
Show InChI InChI=1S/C11H11ClN2O2S/c1-6(14(16)11(13)15)10-5-7-8(12)3-2-4-9(7)17-10/h2-6,16H,1H3,(H2,13,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase on rat basophil leukemia cell line lysate (RBL-1 2H3 subline) by measuring 5-HETE production


J Med Chem 40: 1955-68 (1997)


Article DOI: 10.1021/jm9700474
BindingDB Entry DOI: 10.7270/Q2NV9JWT
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50058555
PNG
(CHEMBL58463 | N-[1-(4-chloro-1-benzothien-2-yl)eth...)
Show SMILES CC(N(O)C(N)=O)c1cc2c(Cl)cccc2s1
Show InChI InChI=1S/C11H11ClN2O2S/c1-6(14(16)11(13)15)10-5-7-8(12)3-2-4-9(7)17-10/h2-6,16H,1H3,(H2,13,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase (5-LO) measured as LTB4 production in human whole blood stimulated with calcium ionophore (A23187).


J Med Chem 40: 1955-68 (1997)


Article DOI: 10.1021/jm9700474
BindingDB Entry DOI: 10.7270/Q2NV9JWT
More data for this
Ligand-Target Pair