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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 = 'BDBM50031153'   
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))
BDBM50031153
PNG
(CHEMBL129970 | [1-{4-[4-((S)-2,2,4-Trimethyl-[1,3]...)
Show SMILES C\C(=N/OCC#N)c1ccc(Sc2cc(cs2)[C@@]2(C)COC(C)(C)O2)cc1
Show InChI InChI=1S/C20H22N2O3S2/c1-14(22-24-10-9-21)15-5-7-17(8-6-15)27-18-11-16(12-26-18)20(4)13-23-19(2,3)25-20/h5-8,11-12H,10,13H2,1-4H3/b22-14+/t20-/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Zeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of LT biosynthesis in vitro using A-23,187-stimulated human whole blood.


J Med Chem 38: 3951-6 (1995)


Article DOI: 10.1021/jm00020a008
BindingDB Entry DOI: 10.7270/Q22J69WD
More data for this
Ligand-Target Pair