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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 = 'BDBM50042947'   
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)
BDBM50042947
PNG
(1-(4-Chloro-phenyl)-3-(4-hydroxy-3-methoxy-phenyl)...)
Show SMILES COc1cc(\C=C\C(=O)c2ccc(Cl)cc2)ccc1O
Show InChI InChI=1S/C16H13ClO3/c1-20-16-10-11(3-9-15(16)19)2-8-14(18)12-4-6-13(17)7-5-12/h2-10,19H,1H3/b8-2+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 8.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 5-lipoxygenase in rat RBL1 cells


Citation and Details

Article DOI: 10.1007/s00044-013-0745-7
BindingDB Entry DOI: 10.7270/Q22N53QB
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50042947
PNG
(1-(4-Chloro-phenyl)-3-(4-hydroxy-3-methoxy-phenyl)...)
Show SMILES COc1cc(\C=C\C(=O)c2ccc(Cl)cc2)ccc1O
Show InChI InChI=1S/C16H13ClO3/c1-20-16-10-11(3-9-15(16)19)2-8-14(18)12-4-6-13(17)7-5-12/h2-10,19H,1H3/b8-2+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 8.90E+3n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair