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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 = 'BDBM50000845'   
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))
BDBM50000845
PNG
(4-Methoxy-4-[3-(naphthalen-2-ylmethoxy)-phenyl]-te...)
Show SMILES COC1(CCOCC1)c1cccc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C23H24O3/c1-24-23(11-13-25-14-12-23)21-7-4-8-22(16-21)26-17-18-9-10-19-5-2-3-6-20(19)15-18/h2-10,15-16H,11-14,17H2,1H3
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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro potency against human 5-Lipoxygenase


J Med Chem 37: 512-8 (1994)


Article DOI: 10.1021/jm00030a010
BindingDB Entry DOI: 10.7270/Q2J965FV
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50000845
PNG
(4-Methoxy-4-[3-(naphthalen-2-ylmethoxy)-phenyl]-te...)
Show SMILES COC1(CCOCC1)c1cccc(OCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C23H24O3/c1-24-23(11-13-25-14-12-23)21-7-4-8-22(16-21)26-17-18-9-10-19-5-2-3-6-20(19)15-18/h2-10,15-16H,11-14,17H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase


J Med Chem 35: 2600-9 (1992)


Article DOI: 10.1021/jm00092a010
BindingDB Entry DOI: 10.7270/Q2Q240VJ
More data for this
Ligand-Target Pair