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PubMed code 21958738

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM22372
PNG
(4-[(2R,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbut...)
Show SMILES C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+
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Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of human 5-LOX in human peripheral blood mononuclear leukocytes assessed as inhibition of calymycin A23187-stimulated LTB4 production prei...


Bioorg Med Chem 19: 6340-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.001
BindingDB Entry DOI: 10.7270/Q2RR1ZNH
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50357364
PNG
(CHEMBL1242095)
Show SMILES CC(C)=CCC\C(C)=C\Cc1c(O)cc(O)c(C(C)=O)c1O
Show InChI InChI=1S/C18H24O4/c1-11(2)6-5-7-12(3)8-9-14-15(20)10-16(21)17(13(4)19)18(14)22/h6,8,10,20-22H,5,7,9H2,1-4H3/b12-8+
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n/an/a 400n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 expressed in insect Sf21 cells assessed as inhibition of conversion of arachidonic acid to PGE2 preincubated for...


Bioorg Med Chem 19: 6340-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.001
BindingDB Entry DOI: 10.7270/Q2RR1ZNH
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Mus musculus)
BDBM22372
PNG
(4-[(2R,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbut...)
Show SMILES C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+
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PubMed
n/an/a 400n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in calcium ionophore A23187-stimulated NMRI mouse macrophage assessed as inhibition of LTC4 production preincubated for 60 mins b...


Bioorg Med Chem 19: 6340-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.001
BindingDB Entry DOI: 10.7270/Q2RR1ZNH
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50357364
PNG
(CHEMBL1242095)
Show SMILES CC(C)=CCC\C(C)=C\Cc1c(O)cc(O)c(C(C)=O)c1O
Show InChI InChI=1S/C18H24O4/c1-11(2)6-5-7-12(3)8-9-14-15(20)10-16(21)17(13(4)19)18(14)22/h6,8,10,20-22H,5,7,9H2,1-4H3/b12-8+
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n/an/a 420n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of human 5-LOX in human peripheral blood mononuclear leukocytes assessed as inhibition of calymycin A23187-stimulated LTB4 production prei...


Bioorg Med Chem 19: 6340-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.001
BindingDB Entry DOI: 10.7270/Q2RR1ZNH
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Mus musculus)
BDBM50357364
PNG
(CHEMBL1242095)
Show SMILES CC(C)=CCC\C(C)=C\Cc1c(O)cc(O)c(C(C)=O)c1O
Show InChI InChI=1S/C18H24O4/c1-11(2)6-5-7-12(3)8-9-14-15(20)10-16(21)17(13(4)19)18(14)22/h6,8,10,20-22H,5,7,9H2,1-4H3/b12-8+
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KEGG

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Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in calcium ionophore A23187-stimulated NMRI mouse macrophage assessed as inhibition of LTC4 production preincubated for 60 mins b...


Bioorg Med Chem 19: 6340-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.001
BindingDB Entry DOI: 10.7270/Q2RR1ZNH
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50357364
PNG
(CHEMBL1242095)
Show SMILES CC(C)=CCC\C(C)=C\Cc1c(O)cc(O)c(C(C)=O)c1O
Show InChI InChI=1S/C18H24O4/c1-11(2)6-5-7-12(3)8-9-14-15(20)10-16(21)17(13(4)19)18(14)22/h6,8,10,20-22H,5,7,9H2,1-4H3/b12-8+
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.90E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human platelets assessed as inhibition of conversion of arachidonic acid to PGE2 preincubated for 15 mins before substrate addi...


Bioorg Med Chem 19: 6340-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.001
BindingDB Entry DOI: 10.7270/Q2RR1ZNH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%