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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-Lipoxygenase' and Monomerid = 50016999   
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))
BDBM50016999
PNG
(7-Chloro-2-(4-methoxy-benzyl)-3-methyl-benzofuran-...)
Show SMILES COc1ccc(Cc2oc3c(Cl)ccc(O)c3c2C)cc1
Show InChI InChI=1S/C17H15ClO3/c1-10-15(9-11-3-5-12(20-2)6-4-11)21-17-13(18)7-8-14(19)16(10)17/h3-8,19H,9H2,1-2H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 376n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50 % inhibition of leukotriene B4 production in human PMN compared with controls in the absence of compound


J Med Chem 32: 1190-7 (1989)


Article DOI: 10.1021/jm00126a008
BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50016999
PNG
(7-Chloro-2-(4-methoxy-benzyl)-3-methyl-benzofuran-...)
Show SMILES COc1ccc(Cc2oc3c(Cl)ccc(O)c3c2C)cc1
Show InChI InChI=1S/C17H15ClO3/c1-10-15(9-11-3-5-12(20-2)6-4-11)21-17-13(18)7-8-14(19)16(10)17/h3-8,19H,9H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Frosst Canada Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50 % inhibition of arachidonic acid oxidation by rat 5-lipoxygenase


J Med Chem 32: 1190-7 (1989)


Article DOI: 10.1021/jm00126a008
BindingDB Entry DOI: 10.7270/Q2ST7NVR
More data for this
Ligand-Target Pair