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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 = 'BDBM50058560'   
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


(Rattus norvegicus)
BDBM50058560
PNG
(CHEMBL413102 | N-hydroxy-N-(1-{5-[(E)-2-phenylviny...)
Show SMILES CC(N(O)C(N)=O)c1ccc(\C=C\c2ccccc2)s1
Show InChI InChI=1S/C15H16N2O2S/c1-11(17(19)15(16)18)14-10-9-13(20-14)8-7-12-5-3-2-4-6-12/h2-11,19H,1H3,(H2,16,18)/b8-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50058560
PNG
(CHEMBL413102 | N-hydroxy-N-(1-{5-[(E)-2-phenylviny...)
Show SMILES CC(N(O)C(N)=O)c1ccc(\C=C\c2ccccc2)s1
Show InChI InChI=1S/C15H16N2O2S/c1-11(17(19)15(16)18)14-10-9-13(20-14)8-7-12-5-3-2-4-6-12/h2-11,19H,1H3,(H2,16,18)/b8-7+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 710n/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