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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Lipoxygenase-1' and Ligand = 'BDBM22365'   
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
Lipoxygenase-1


(Glycine max (soybean))
BDBM22365
PNG
(1,3-Diarylprop-2-yn-1-one, 23b | 1-(3-hydroxy-4-me...)
Show SMILES COc1ccc(cc1O)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O5S/c1-22-17-10-6-13(11-16(17)19)15(18)9-5-12-3-7-14(8-4-12)23(2,20)21/h3-4,6-8,10-11,19H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



University of Alberta



Assay Description
The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22365
PNG
(1,3-Diarylprop-2-yn-1-one, 23b | 1-(3-hydroxy-4-me...)
Show SMILES COc1ccc(cc1O)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O5S/c1-22-17-10-6-13(11-16(17)19)15(18)9-5-12-3-7-14(8-4-12)23(2,20)21/h3-4,6-8,10-11,19H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 15-lipoxygenase obtained from soybean


Bioorg Med Chem Lett 15: 4842-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.036
BindingDB Entry DOI: 10.7270/Q2RJ4K7N
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22365
PNG
(1,3-Diarylprop-2-yn-1-one, 23b | 1-(3-hydroxy-4-me...)
Show SMILES COc1ccc(cc1O)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14O5S/c1-22-17-10-6-13(11-16(17)19)15(18)9-5-12-3-7-14(8-4-12)23(2,20)21/h3-4,6-8,10-11,19H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-lipoxygenase obtained from potato


Bioorg Med Chem Lett 15: 4842-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.036
BindingDB Entry DOI: 10.7270/Q2RJ4K7N
More data for this
Ligand-Target Pair