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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Arachidonate 5-lipoxygenase' and Ligand = 'BDBM50043362'   
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


(Bos taurus)
BDBM50043362
PNG
(1,8-Dihydroxy-10-[2-(3,4,5-trihydroxy-phenyl)-acet...)
Show SMILES Oc1cccc2C(C(=O)Cc3cc(O)c(O)c(O)c3)c3cccc(O)c3C(=O)c12
Show InChI InChI=1S/C22H16O7/c23-13-5-1-3-11-18(12-4-2-6-14(24)20(12)22(29)19(11)13)15(25)7-10-8-16(26)21(28)17(27)9-10/h1-6,8-9,18,23-24,26-28H,7H2
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PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 300n/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
Arachidonate 5-lipoxygenase


(Bos taurus)
BDBM50043362
PNG
(1,8-Dihydroxy-10-[2-(3,4,5-trihydroxy-phenyl)-acet...)
Show SMILES Oc1cccc2C(C(=O)Cc3cc(O)c(O)c(O)c3)c3cccc(O)c3C(=O)c12
Show InChI InChI=1S/C22H16O7/c23-13-5-1-3-11-18(12-4-2-6-14(24)20(12)22(29)19(11)13)15(25)7-10-8-16(26)21(28)17(27)9-10/h1-6,8-9,18,23-24,26-28H,7H2
PDB
MMDB

Reactome pathway

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 2.00E+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