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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-lipoxygenase' and Ligand = 'BDBM50043346'   
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
5-lipoxygenase


(Bos taurus)
BDBM50043346
PNG
(1,8-Dihydroxy-10-(4-hydroxy-benzylidene)-10H-anthr...)
Show SMILES [#8]-c1ccc(\[#6]=[#6]-2/c3cccc(-[#8])c3-[#6](=O)-c3c(-[#8])cccc-23)cc1
Show InChI InChI=1S/C21H14O4/c22-13-9-7-12(8-10-13)11-16-14-3-1-5-17(23)19(14)21(25)20-15(16)4-2-6-18(20)24/h1-11,22-24H
PDB
MMDB

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PC sid
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PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL).


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043346
PNG
(1,8-Dihydroxy-10-(4-hydroxy-benzylidene)-10H-anthr...)
Show SMILES [#8]-c1ccc(\[#6]=[#6]-2/c3cccc(-[#8])c3-[#6](=O)-c3c(-[#8])cccc-23)cc1
Show InChI InChI=1S/C21H14O4/c22-13-9-7-12(8-10-13)11-16-14-3-1-5-17(23)19(14)21(25)20-15(16)4-2-6-18(20)24/h1-11,22-24H
PDB
MMDB

Reactome pathway

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for the inhibition of lipid peroxidation in bovine brain phospholipid liposomes


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair