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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 = 'BDBM50397230'   
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


(Homo sapiens (Human))
BDBM50397230
PNG
(CHEMBL2172772)
Show SMILES Cc1c(CC(=O)NS(=O)(=O)c2ccc(C)cc2)c2cc(ccc2n1Cc1ccc(Cl)cc1)C#Cc1ccccc1
Show InChI InChI=1S/C33H27ClN2O3S/c1-23-8-17-29(18-9-23)40(38,39)35-33(37)21-30-24(2)36(22-27-12-15-28(34)16-13-27)32-19-14-26(20-31(30)32)11-10-25-6-4-3-5-7-25/h3-9,12-20H,21-22H2,1-2H3,(H,35,37)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in A23187-stimulated human neutrophils assessed as inhibition of enzyme product formation by RP-HPLC analysis


J Med Chem 55: 8958-62 (2012)


Article DOI: 10.1021/jm3010543
BindingDB Entry DOI: 10.7270/Q20Z74FD
More data for this
Ligand-Target Pair