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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Arachidonate 5-lipoxygenase' and Ligand = 'BDBM50059610'   
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)
BDBM50059610
PNG
(2-(1,8-Dihydroxy-9-oxo-9,10-dihydro-anthracen-2-yl...)
Show SMILES CC(C(O)=O)c1ccc2Cc3cccc(O)c3C(=O)c2c1O
Show InChI InChI=1S/C17H14O5/c1-8(17(21)22)11-6-5-10-7-9-3-2-4-12(18)13(9)16(20)14(10)15(11)19/h2-6,8,18-19H,7H2,1H3,(H,21,22)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



Westfälische Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
5-LO inhibitory activity, measured by production of 5-hydroxyeicosatetraenoic acid (5-HETE) and leukotriene B4 (LTB4) in bovine polymorphonuclear leu...


J Med Chem 40: 2780-7 (1997)


Article DOI: 10.1021/jm9701785
BindingDB Entry DOI: 10.7270/Q28C9VB4
More data for this
Ligand-Target Pair