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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-Lipoxygenase' and Monomerid = 50016990   
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))
BDBM50016990
PNG
(2-(4-Methoxy-benzyl)-3,7-dimethyl-5-propyl-benzofu...)
Show SMILES CCCc1cc(C)c2oc(Cc3ccc(OC)cc3)c(C)c2c1O
Show InChI InChI=1S/C21H24O3/c1-5-6-16-11-13(2)21-19(20(16)22)14(3)18(24-21)12-15-7-9-17(23-4)10-8-15/h7-11,22H,5-6,12H2,1-4H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 12n/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)
BDBM50016990
PNG
(2-(4-Methoxy-benzyl)-3,7-dimethyl-5-propyl-benzofu...)
Show SMILES CCCc1cc(C)c2oc(Cc3ccc(OC)cc3)c(C)c2c1O
Show InChI InChI=1S/C21H24O3/c1-5-6-16-11-13(2)21-19(20(16)22)14(3)18(24-21)12-15-7-9-17(23-4)10-8-15/h7-11,22H,5-6,12H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 140n/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