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Compile Data Set for Download or QSAR

Found 158 hits with Last Name = 'chang' and Initial = 'hw'   
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
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50029593
PNG
(CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
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n/an/a<2n/an/an/an/an/an/a



Yeungnam University

Curated by ChEMBL


Assay Description
Inhibitory activity against murine Prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 2559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.099
BindingDB Entry DOI: 10.7270/Q2VD7005
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)
BDBM50006811
PNG
(2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,6-trimethyl-p...)
Show SMILES Cc1c(C)c(O)c(C=CCCC#CCCCC#CCO)c(C)c1O |w:8.8|
Show InChI InChI=1S/C21H26O3/c1-16-17(2)21(24)19(18(3)20(16)23)14-12-10-8-6-4-5-7-9-11-13-15-22/h12,14,22-24H,5,7-10,15H2,1-3H3
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n/an/a 32n/an/an/an/an/an/a



Yeungnam University

Curated by ChEMBL


Assay Description
Inhibitory activity against murine lipoxygenase-2.


Bioorg Med Chem Lett 14: 2559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.099
BindingDB Entry DOI: 10.7270/Q2VD7005
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)
BDBM50329397
PNG
(CHEMBL1269648 | N-(4-Ethylphenyl)-5-methylbenzo[d]...)
Show SMILES CCc1ccc(Nc2nc3cc(C)ccc3o2)cc1
Show InChI InChI=1S/C16H16N2O/c1-3-12-5-7-13(8-6-12)17-16-18-14-10-11(2)4-9-15(14)19-16/h4-10H,3H2,1-2H3,(H,17,18)
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n/an/a 120n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in BALB/c mouse BMMC assessed as LTC4 release after 20 mins by enzyme immunoassay


Bioorg Med Chem 18: 7580-5 (2010)


Article DOI: 10.1016/j.bmc.2010.08.047
BindingDB Entry DOI: 10.7270/Q2D79BMC
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)
BDBM50000541
PNG
((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...)
Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1
Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
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n/an/a 190n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in mouse BMM cells assessed as formation of LTC4 after 30 mins by enzyme immunoassay


Bioorg Med Chem 23: 7069-78 (2015)


Article DOI: 10.1016/j.bmc.2015.09.025
BindingDB Entry DOI: 10.7270/Q23N256M
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)
BDBM50145514
PNG
((E)-1-Furan-2-yl-3-pyridin-2-yl-propenone | CHEMBL...)
Show SMILES O=C(\C=C\c1ccccn1)c1ccco1
Show InChI InChI=1S/C12H9NO2/c14-11(12-5-3-9-15-12)7-6-10-4-1-2-8-13-10/h1-9H/b7-6+
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n/an/a 370n/an/an/an/an/an/a



Yeungnam University

Curated by ChEMBL


Assay Description
Inhibitory activity against murine lipoxygenase-2.


Bioorg Med Chem Lett 14: 2559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.099
BindingDB Entry DOI: 10.7270/Q2VD7005
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Mus musculus)
BDBM50128343
PNG
(CHEMBL3629176)
Show SMILES N\C(=N/O)c1ccc(OCCCCC(=O)Nc2ccc3oc(Nc4ccccc4)nc3c2)cc1
Show InChI InChI=1S/C25H25N5O4/c26-24(30-32)17-9-12-20(13-10-17)33-15-5-4-8-23(31)27-19-11-14-22-21(16-19)29-25(34-22)28-18-6-2-1-3-7-18/h1-3,6-7,9-14,16,32H,4-5,8,15H2,(H2,26,30)(H,27,31)(H,28,29)
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n/an/a 560n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Antiosteoclast activity in mouse BMM cells assessed as reduction of RANKL-induced osteoclasts differentiation by measuring TRAP positive multinucleat...


Bioorg Med Chem 23: 7069-78 (2015)


Article DOI: 10.1016/j.bmc.2015.09.025
BindingDB Entry DOI: 10.7270/Q23N256M
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Mus musculus)
BDBM50128344
PNG
(CHEMBL3629177)
Show SMILES COc1ccc(Nc2nc3cc(NC(=O)CCCCOc4ccc(cc4)C(\N)=N\O)ccc3o2)cc1
Show InChI InChI=1S/C26H27N5O5/c1-34-20-12-7-18(8-13-20)29-26-30-22-16-19(9-14-23(22)36-26)28-24(32)4-2-3-15-35-21-10-5-17(6-11-21)25(27)31-33/h5-14,16,33H,2-4,15H2,1H3,(H2,27,31)(H,28,32)(H,29,30)
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n/an/a 580n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Antiosteoclast activity in mouse BMM cells assessed as reduction of RANKL-induced osteoclasts differentiation by measuring TRAP positive multinucleat...


Bioorg Med Chem 23: 7069-78 (2015)


Article DOI: 10.1016/j.bmc.2015.09.025
BindingDB Entry DOI: 10.7270/Q23N256M
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)
BDBM50329394
PNG
(5-Chloro-N-(4-ethylphenyl)benzo[d]oxazol-2-amine |...)
Show SMILES CCc1ccc(Nc2nc3cc(Cl)ccc3o2)cc1
Show InChI InChI=1S/C15H13ClN2O/c1-2-10-3-6-12(7-4-10)17-15-18-13-9-11(16)5-8-14(13)19-15/h3-9H,2H2,1H3,(H,17,18)
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Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in BALB/c mouse BMMC assessed as LTC4 release after 20 mins by enzyme immunoassay


Bioorg Med Chem 18: 7580-5 (2010)


Article DOI: 10.1016/j.bmc.2010.08.047
BindingDB Entry DOI: 10.7270/Q2D79BMC
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)
BDBM50329392
PNG
(CHEMBL1269619 | N-(4-Ethylphenyl)benzo[d]oxazol-2-...)
Show SMILES CCc1ccc(Nc2nc3ccccc3o2)cc1
Show InChI InChI=1S/C15H14N2O/c1-2-11-7-9-12(10-8-11)16-15-17-13-5-3-4-6-14(13)18-15/h3-10H,2H2,1H3,(H,16,17)
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n/an/a 1.21E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in BALB/c mouse BMMC assessed as LTC4 release after 20 mins by enzyme immunoassay


Bioorg Med Chem 18: 7580-5 (2010)


Article DOI: 10.1016/j.bmc.2010.08.047
BindingDB Entry DOI: 10.7270/Q2D79BMC
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Mus musculus)
BDBM50128342
PNG
(CHEMBL3629175)
Show SMILES CCc1ccc(Nc2nc3cc(NC(=O)CCCCOc4ccc(cc4)C(\N)=N\O)ccc3o2)cc1
Show InChI InChI=1S/C27H29N5O4/c1-2-18-6-10-20(11-7-18)30-27-31-23-17-21(12-15-24(23)36-27)29-25(33)5-3-4-16-35-22-13-8-19(9-14-22)26(28)32-34/h6-15,17,34H,2-5,16H2,1H3,(H2,28,32)(H,29,33)(H,30,31)
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n/an/a 1.31E+3n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Antiosteoclast activity in mouse BMM cells assessed as reduction of RANKL-induced osteoclasts differentiation by measuring TRAP positive multinucleat...


Bioorg Med Chem 23: 7069-78 (2015)


Article DOI: 10.1016/j.bmc.2015.09.025
BindingDB Entry DOI: 10.7270/Q23N256M
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)
BDBM50029593
PNG
(CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
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n/an/a 1.67E+3n/an/an/an/an/an/a



Yeungnam University

Curated by ChEMBL


Assay Description
Inhibitory activity against murine prostaglandin G/H synthase 1.


Bioorg Med Chem Lett 14: 2559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.099
BindingDB Entry DOI: 10.7270/Q2VD7005
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)
BDBM50128342
PNG
(CHEMBL3629175)
Show SMILES CCc1ccc(Nc2nc3cc(NC(=O)CCCCOc4ccc(cc4)C(\N)=N\O)ccc3o2)cc1
Show InChI InChI=1S/C27H29N5O4/c1-2-18-6-10-20(11-7-18)30-27-31-23-17-21(12-15-24(23)36-27)29-25(33)5-3-4-16-35-22-13-8-19(9-14-22)26(28)32-34/h6-15,17,34H,2-5,16H2,1H3,(H2,28,32)(H,29,33)(H,30,31)
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n/an/a 1.72E+3n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in mouse BMM cells assessed as formation of LTC4 after 30 mins by enzyme immunoassay


Bioorg Med Chem 23: 7069-78 (2015)


Article DOI: 10.1016/j.bmc.2015.09.025
BindingDB Entry DOI: 10.7270/Q23N256M
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50145514
PNG
((E)-1-Furan-2-yl-3-pyridin-2-yl-propenone | CHEMBL...)
Show SMILES O=C(\C=C\c1ccccn1)c1ccco1
Show InChI InChI=1S/C12H9NO2/c14-11(12-5-3-9-15-12)7-6-10-4-1-2-8-13-10/h1-9H/b7-6+
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n/an/a 1.89E+3n/an/an/an/an/an/a



Yeungnam University

Curated by ChEMBL


Assay Description
Inhibitory activity against murine Prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 2559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.099
BindingDB Entry DOI: 10.7270/Q2VD7005
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50254381
PNG
(2-(4-methoxyphenyl)-6-(4-oxo-2-phenyl-4H-chromen-7...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2cc(Oc3ccc4c(c3)oc(cc4=O)-c3ccccc3)ccc2o1
Show InChI InChI=1S/C31H20O6/c1-34-21-9-7-20(8-10-21)30-18-27(33)25-15-22(12-14-28(25)36-30)35-23-11-13-24-26(32)17-29(37-31(24)16-23)19-5-3-2-4-6-19/h2-18H,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Kangwon National University

Curated by ChEMBL


Assay Description
Inhibition of COX2-mediated PGE2 production in LPS-stimulated mouse RAW264.7 cells by ELISA


Bioorg Med Chem Lett 19: 74-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.017
BindingDB Entry DOI: 10.7270/Q24B3153
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50254327
PNG
(2-(2,4-dimethoxyphenyl)-6-(4-oxo-2-phenyl-4H-chrom...)
Show SMILES COc1ccc(c(OC)c1)-c1cc(=O)c2cc(Oc3ccc4c(c3)oc(cc4=O)-c3ccccc3)ccc2o1
Show InChI InChI=1S/C32H22O7/c1-35-20-8-12-24(30(15-20)36-2)32-18-27(34)25-14-21(10-13-28(25)38-32)37-22-9-11-23-26(33)17-29(39-31(23)16-22)19-6-4-3-5-7-19/h3-18H,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Kangwon National University

Curated by ChEMBL


Assay Description
Inhibition of COX2-mediated PGE2 production in LPS-stimulated mouse RAW264.7 cells by ELISA


Bioorg Med Chem Lett 19: 74-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.017
BindingDB Entry DOI: 10.7270/Q24B3153
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)
BDBM50329404
PNG
(CHEMBL1269727 | N-(3-Bromophenyl)-5-methoxybenzo[d...)
Show SMILES COc1ccc2oc(Nc3cccc(Br)c3)nc2c1
Show InChI InChI=1S/C14H11BrN2O2/c1-18-11-5-6-13-12(8-11)17-14(19-13)16-10-4-2-3-9(15)7-10/h2-8H,1H3,(H,16,17)
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n/an/a 2.03E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in BALB/c mouse BMMC assessed as LTC4 release after 20 mins by enzyme immunoassay


Bioorg Med Chem 18: 7580-5 (2010)


Article DOI: 10.1016/j.bmc.2010.08.047
BindingDB Entry DOI: 10.7270/Q2D79BMC
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)
BDBM50329402
PNG
(CHEMBL1269907 | N-(4-Isopropylphenyl)-5-methoxyben...)
Show SMILES COc1ccc2oc(Nc3ccc(cc3)C(C)C)nc2c1
Show InChI InChI=1S/C17H18N2O2/c1-11(2)12-4-6-13(7-5-12)18-17-19-15-10-14(20-3)8-9-16(15)21-17/h4-11H,1-3H3,(H,18,19)
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n/an/a 2.64E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in BALB/c mouse BMMC assessed as LTC4 release after 20 mins by enzyme immunoassay


Bioorg Med Chem 18: 7580-5 (2010)


Article DOI: 10.1016/j.bmc.2010.08.047
BindingDB Entry DOI: 10.7270/Q2D79BMC
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)
BDBM50329403
PNG
(5-Methoxy-N-(4-(methylthio)phenyl)benzo[d]oxazol-2...)
Show SMILES COc1ccc2oc(Nc3ccc(SC)cc3)nc2c1
Show InChI InChI=1S/C15H14N2O2S/c1-18-11-5-8-14-13(9-11)17-15(19-14)16-10-3-6-12(20-2)7-4-10/h3-9H,1-2H3,(H,16,17)
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n/an/a 2.77E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in BALB/c mouse BMMC assessed as LTC4 release after 20 mins by enzyme immunoassay


Bioorg Med Chem 18: 7580-5 (2010)


Article DOI: 10.1016/j.bmc.2010.08.047
BindingDB Entry DOI: 10.7270/Q2D79BMC
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50183248
PNG
(2-{4-[4-(4-oxo-4H-chromen-2-yl)phenyl]phenyl}-4H-c...)
Show SMILES O=c1cc(oc2ccccc12)-c1ccc(cc1)-c1ccc(cc1)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C30H18O4/c31-25-17-29(33-27-7-3-1-5-23(25)27)21-13-9-19(10-14-21)20-11-15-22(16-12-20)30-18-26(32)24-6-2-4-8-28(24)34-30/h1-18H
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n/an/a 3.00E+3n/an/an/an/an/an/a



Kangwon National University

Curated by ChEMBL


Assay Description
Inhibition of sPLA2-2A in HEK293 cell


Bioorg Med Chem Lett 16: 2373-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.117
BindingDB Entry DOI: 10.7270/Q20Z72VZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50145509
PNG
((E)-1,3-Di-thiophen-2-yl-propenone | CHEMBL88104)
Show SMILES O=C(\C=C\c1cccs1)c1cccs1
Show InChI InChI=1S/C11H8OS2/c12-10(11-4-2-8-14-11)6-5-9-3-1-7-13-9/h1-8H/b6-5+
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n/an/a 3.40E+3n/an/an/an/an/an/a



Yeungnam University

Curated by ChEMBL


Assay Description
Inhibitory activity against murine Prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 2559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.099
BindingDB Entry DOI: 10.7270/Q2VD7005
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50183250
PNG
(2-(3-(4-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)pheno...)
Show SMILES Oc1cc2oc(cc(O)c2c(=O)c1)-c1ccc(Oc2cc(ccc2O)-c2cc(O)c3c(cc(O)cc3=O)o2)cc1
Show InChI InChI=1S/C30H18O10/c31-16-8-20(34)29-22(36)12-24(39-27(29)10-16)14-1-4-18(5-2-14)38-26-7-15(3-6-19(26)33)25-13-23(37)30-21(35)9-17(32)11-28(30)40-25/h1-13,31-33,36-37H
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n/an/a 3.50E+3n/an/an/an/an/an/a



Kangwon National University

Curated by ChEMBL


Assay Description
Inhibition of sPLA2-2A in HEK293 cell


Bioorg Med Chem Lett 16: 2373-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.117
BindingDB Entry DOI: 10.7270/Q20Z72VZ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)
BDBM50128343
PNG
(CHEMBL3629176)
Show SMILES N\C(=N/O)c1ccc(OCCCCC(=O)Nc2ccc3oc(Nc4ccccc4)nc3c2)cc1
Show InChI InChI=1S/C25H25N5O4/c26-24(30-32)17-9-12-20(13-10-17)33-15-5-4-8-23(31)27-19-11-14-22-21(16-19)29-25(34-22)28-18-6-2-1-3-7-18/h1-3,6-7,9-14,16,32H,4-5,8,15H2,(H2,26,30)(H,27,31)(H,28,29)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in mouse BMM cells assessed as formation of LTC4 after 30 mins by enzyme immunoassay


Bioorg Med Chem 23: 7069-78 (2015)


Article DOI: 10.1016/j.bmc.2015.09.025
BindingDB Entry DOI: 10.7270/Q23N256M
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)
BDBM50329393
PNG
(5-Chloro-N-phenylbenzo[d]oxazol-2-amine | CHEMBL12...)
Show SMILES Clc1ccc2oc(Nc3ccccc3)nc2c1
Show InChI InChI=1S/C13H9ClN2O/c14-9-6-7-12-11(8-9)16-13(17-12)15-10-4-2-1-3-5-10/h1-8H,(H,15,16)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in BALB/c mouse BMMC assessed as LTC4 release after 20 mins by enzyme immunoassay


Bioorg Med Chem 18: 7580-5 (2010)


Article DOI: 10.1016/j.bmc.2010.08.047
BindingDB Entry DOI: 10.7270/Q2D79BMC
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)
BDBM50329396
PNG
(5-Methyl-N-phenylbenzo[d]oxazol-2-amine | CHEMBL12...)
Show SMILES Cc1ccc2oc(Nc3ccccc3)nc2c1
Show InChI InChI=1S/C14H12N2O/c1-10-7-8-13-12(9-10)16-14(17-13)15-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in BALB/c mouse BMMC assessed as LTC4 release after 20 mins by enzyme immunoassay


Bioorg Med Chem 18: 7580-5 (2010)


Article DOI: 10.1016/j.bmc.2010.08.047
BindingDB Entry DOI: 10.7270/Q2D79BMC
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)
BDBM50145509
PNG
((E)-1,3-Di-thiophen-2-yl-propenone | CHEMBL88104)
Show SMILES O=C(\C=C\c1cccs1)c1cccs1
Show InChI InChI=1S/C11H8OS2/c12-10(11-4-2-8-14-11)6-5-9-3-1-7-13-9/h1-8H/b6-5+
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n/an/a 4.80E+3n/an/an/an/an/an/a



Yeungnam University

Curated by ChEMBL


Assay Description
Inhibitory activity against murine lipoxygenase-2.


Bioorg Med Chem Lett 14: 2559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.099
BindingDB Entry DOI: 10.7270/Q2VD7005
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)
BDBM50128344
PNG
(CHEMBL3629177)
Show SMILES COc1ccc(Nc2nc3cc(NC(=O)CCCCOc4ccc(cc4)C(\N)=N\O)ccc3o2)cc1
Show InChI InChI=1S/C26H27N5O5/c1-34-20-12-7-18(8-13-20)29-26-30-22-16-19(9-14-23(22)36-26)28-24(32)4-2-3-15-35-21-10-5-17(6-11-21)25(27)31-33/h5-14,16,33H,2-4,15H2,1H3,(H2,27,31)(H,28,32)(H,29,30)
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n/an/a 4.90E+3n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in mouse BMM cells assessed as formation of LTC4 after 30 mins by enzyme immunoassay


Bioorg Med Chem 23: 7069-78 (2015)


Article DOI: 10.1016/j.bmc.2015.09.025
BindingDB Entry DOI: 10.7270/Q23N256M
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50145507
PNG
((E)-1-Pyridin-2-yl-3-thiophen-3-yl-propenone | CHE...)
Show SMILES O=C(\C=C\c1ccsc1)c1ccccn1
Show InChI InChI=1S/C12H9NOS/c14-12(11-3-1-2-7-13-11)5-4-10-6-8-15-9-10/h1-9H/b5-4+
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n/an/a 5.22E+3n/an/an/an/an/an/a



Yeungnam University

Curated by ChEMBL


Assay Description
Inhibitory activity against murine Prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 2559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.099
BindingDB Entry DOI: 10.7270/Q2VD7005
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)
BDBM50329398
PNG
(CHEMBL1269649 | N-(2-Ethylphenyl)-5-methylbenzo[d]...)
Show SMILES CCc1ccccc1Nc1nc2cc(C)ccc2o1
Show InChI InChI=1S/C16H16N2O/c1-3-12-6-4-5-7-13(12)17-16-18-14-10-11(2)8-9-15(14)19-16/h4-10H,3H2,1-2H3,(H,17,18)
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n/an/a 5.66E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in BALB/c mouse BMMC assessed as LTC4 release after 20 mins by enzyme immunoassay


Bioorg Med Chem 18: 7580-5 (2010)


Article DOI: 10.1016/j.bmc.2010.08.047
BindingDB Entry DOI: 10.7270/Q2D79BMC
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)
BDBM50145518
PNG
((E)-3-Thiophen-3-yl-1-thiophen-2-yl-propenone | CH...)
Show SMILES O=C(\C=C\c1ccsc1)c1cccs1
Show InChI InChI=1S/C11H8OS2/c12-10(11-2-1-6-14-11)4-3-9-5-7-13-8-9/h1-8H/b4-3+
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n/an/a 5.90E+3n/an/an/an/an/an/a



Yeungnam University

Curated by ChEMBL


Assay Description
Inhibitory activity against murine lipoxygenase-2.


Bioorg Med Chem Lett 14: 2559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.099
BindingDB Entry DOI: 10.7270/Q2VD7005
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50183248
PNG
(2-{4-[4-(4-oxo-4H-chromen-2-yl)phenyl]phenyl}-4H-c...)
Show SMILES O=c1cc(oc2ccccc12)-c1ccc(cc1)-c1ccc(cc1)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C30H18O4/c31-25-17-29(33-27-7-3-1-5-23(25)27)21-13-9-19(10-14-21)20-11-15-22(16-12-20)30-18-26(32)24-6-2-4-8-28(24)34-30/h1-18H
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n/an/a 6.00E+3n/an/an/an/an/an/a



Yeungnam University

Curated by ChEMBL


Assay Description
Inhibition of human cloned cPLA2 expressed in HEK293 cells


Bioorg Med Chem 15: 7138-43 (2007)


Article DOI: 10.1016/j.bmc.2007.07.054
BindingDB Entry DOI: 10.7270/Q2WM1D5G
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)
BDBM50145515
PNG
((E)-3-(3-Methyl-thiophen-2-yl)-1-pyridin-2-yl-prop...)
Show SMILES Cc1ccsc1\C=C\C(=O)c1ccccn1
Show InChI InChI=1S/C13H11NOS/c1-10-7-9-16-13(10)6-5-12(15)11-4-2-3-8-14-11/h2-9H,1H3/b6-5+
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n/an/a 6.51E+3n/an/an/an/an/an/a



Yeungnam University

Curated by ChEMBL


Assay Description
Inhibitory activity against murine lipoxygenase-2.


Bioorg Med Chem Lett 14: 2559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.099
BindingDB Entry DOI: 10.7270/Q2VD7005
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)
BDBM50329400
PNG
(CHEMBL1269704 | N-(3-Methoxyphenyl)-5-methylbenzo[...)
Show SMILES COc1cccc(Nc2nc3cc(C)ccc3o2)c1
Show InChI InChI=1S/C15H14N2O2/c1-10-6-7-14-13(8-10)17-15(19-14)16-11-4-3-5-12(9-11)18-2/h3-9H,1-2H3,(H,16,17)
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n/an/a 6.83E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in BALB/c mouse BMMC assessed as LTC4 release after 20 mins by enzyme immunoassay


Bioorg Med Chem 18: 7580-5 (2010)


Article DOI: 10.1016/j.bmc.2010.08.047
BindingDB Entry DOI: 10.7270/Q2D79BMC
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)
BDBM50329399
PNG
(6-Methyl-N-(4-(methylthio)phenyl)benzo[d]oxazol-2-...)
Show SMILES CSc1ccc(Nc2nc3cc(C)ccc3o2)cc1
Show InChI InChI=1S/C15H14N2OS/c1-10-3-8-14-13(9-10)17-15(18-14)16-11-4-6-12(19-2)7-5-11/h3-9H,1-2H3,(H,16,17)
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n/an/a 7.31E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in BALB/c mouse BMMC assessed as LTC4 release after 20 mins by enzyme immunoassay


Bioorg Med Chem 18: 7580-5 (2010)


Article DOI: 10.1016/j.bmc.2010.08.047
BindingDB Entry DOI: 10.7270/Q2D79BMC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50145516
PNG
((E)-3-Furan-2-yl-1-pyridin-2-yl-propenone | CHEMBL...)
Show SMILES O=C(\C=C\c1ccco1)c1ccccn1
Show InChI InChI=1S/C12H9NO2/c14-12(11-5-1-2-8-13-11)7-6-10-4-3-9-15-10/h1-9H/b7-6+
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n/an/a 7.44E+3n/an/an/an/an/an/a



Yeungnam University

Curated by ChEMBL


Assay Description
Inhibitory activity against murine Prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 2559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.099
BindingDB Entry DOI: 10.7270/Q2VD7005
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)
BDBM50145506
PNG
((E)-1-(5-Chloro-thiophen-2-yl)-3-furan-2-yl-propen...)
Show SMILES Clc1ccc(s1)C(=O)\C=C\c1ccco1
Show InChI InChI=1S/C11H7ClO2S/c12-11-6-5-10(15-11)9(13)4-3-8-2-1-7-14-8/h1-7H/b4-3+
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n/an/a 7.52E+3n/an/an/an/an/an/a



Yeungnam University

Curated by ChEMBL


Assay Description
Inhibitory activity against murine lipoxygenase-2.


Bioorg Med Chem Lett 14: 2559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.099
BindingDB Entry DOI: 10.7270/Q2VD7005
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)
BDBM50145507
PNG
((E)-1-Pyridin-2-yl-3-thiophen-3-yl-propenone | CHE...)
Show SMILES O=C(\C=C\c1ccsc1)c1ccccn1
Show InChI InChI=1S/C12H9NOS/c14-12(11-3-1-2-7-13-11)5-4-10-6-8-15-9-10/h1-9H/b5-4+
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n/an/a 7.60E+3n/an/an/an/an/an/a



Yeungnam University

Curated by ChEMBL


Assay Description
Inhibitory activity against murine lipoxygenase-2.


Bioorg Med Chem Lett 14: 2559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.099
BindingDB Entry DOI: 10.7270/Q2VD7005
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)
BDBM50329401
PNG
(5-Methoxy-N-phenylbenzo[d]oxazol-2-amine | CHEMBL1...)
Show SMILES COc1ccc2oc(Nc3ccccc3)nc2c1
Show InChI InChI=1S/C14H12N2O2/c1-17-11-7-8-13-12(9-11)16-14(18-13)15-10-5-3-2-4-6-10/h2-9H,1H3,(H,15,16)
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n/an/a 7.88E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in BALB/c mouse BMMC assessed as LTC4 release after 20 mins by enzyme immunoassay


Bioorg Med Chem 18: 7580-5 (2010)


Article DOI: 10.1016/j.bmc.2010.08.047
BindingDB Entry DOI: 10.7270/Q2D79BMC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50145504
PNG
((E)-3-Furan-3-yl-1-pyridin-3-yl-propenone | CHEMBL...)
Show SMILES O=C(\C=C\c1ccoc1)c1cccnc1
Show InChI InChI=1S/C12H9NO2/c14-12(11-2-1-6-13-8-11)4-3-10-5-7-15-9-10/h1-9H/b4-3+
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n/an/a 7.92E+3n/an/an/an/an/an/a



Yeungnam University

Curated by ChEMBL


Assay Description
Inhibitory activity against murine Prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 2559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.099
BindingDB Entry DOI: 10.7270/Q2VD7005
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)
BDBM50047342
PNG
((E)-3-Phenyl-1-pyridin-2-yl-propenone | 3-Phenyl-1...)
Show SMILES O=C(\C=C\c1ccccc1)c1ccccn1
Show InChI InChI=1S/C14H11NO/c16-14(13-8-4-5-11-15-13)10-9-12-6-2-1-3-7-12/h1-11H/b10-9+
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n/an/a 8.13E+3n/an/an/an/an/an/a



Yeungnam University

Curated by ChEMBL


Assay Description
Inhibitory activity against murine lipoxygenase-2.


Bioorg Med Chem Lett 14: 2559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.099
BindingDB Entry DOI: 10.7270/Q2VD7005
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50183244
PNG
(3-(4-(4-oxo-4H-chromen-2-yl)phenyl)-2-phenyl-4H-ch...)
Show SMILES O=c1cc(oc2ccccc12)-c1ccc(cc1)-c1c(oc2ccccc2c1=O)-c1ccccc1
Show InChI InChI=1S/C30H18O4/c31-24-18-27(33-25-12-6-4-10-22(24)25)19-14-16-20(17-15-19)28-29(32)23-11-5-7-13-26(23)34-30(28)21-8-2-1-3-9-21/h1-18H
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n/an/a 8.42E+3n/an/an/an/an/an/a



Yeungnam University

Curated by ChEMBL


Assay Description
Inhibition of human cloned cPLA2 expressed in HEK293 cells


Bioorg Med Chem 15: 7138-43 (2007)


Article DOI: 10.1016/j.bmc.2007.07.054
BindingDB Entry DOI: 10.7270/Q2WM1D5G
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)
BDBM49481
PNG
(1,3-benzoxazol-2-yl(phenyl)amine | CHEMBL1269508 |...)
Show SMILES N(c1nc2ccccc2o1)c1ccccc1
Show InChI InChI=1S/C13H10N2O/c1-2-6-10(7-3-1)14-13-15-11-8-4-5-9-12(11)16-13/h1-9H,(H,14,15)
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n/an/a 8.91E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in BALB/c mouse BMMC assessed as LTC4 release after 20 mins by enzyme immunoassay


Bioorg Med Chem 18: 7580-5 (2010)


Article DOI: 10.1016/j.bmc.2010.08.047
BindingDB Entry DOI: 10.7270/Q2D79BMC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)
BDBM50145509
PNG
((E)-1,3-Di-thiophen-2-yl-propenone | CHEMBL88104)
Show SMILES O=C(\C=C\c1cccs1)c1cccs1
Show InChI InChI=1S/C11H8OS2/c12-10(11-4-2-8-14-11)6-5-9-3-1-7-13-9/h1-8H/b6-5+
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n/an/a 9.01E+3n/an/an/an/an/an/a



Yeungnam University

Curated by ChEMBL


Assay Description
Inhibitory activity against murine prostaglandin G/H synthase 1.


Bioorg Med Chem Lett 14: 2559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.099
BindingDB Entry DOI: 10.7270/Q2VD7005
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50145505
PNG
((E)-1-Pyridin-2-yl-3-thiophen-2-yl-propenone | CHE...)
Show SMILES O=C(\C=C\c1cccs1)c1ccccn1
Show InChI InChI=1S/C12H9NOS/c14-12(11-5-1-2-8-13-11)7-6-10-4-3-9-15-10/h1-9H/b7-6+
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n/an/a 9.01E+3n/an/an/an/an/an/a



Yeungnam University

Curated by ChEMBL


Assay Description
Inhibitory activity against murine Prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 2559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.099
BindingDB Entry DOI: 10.7270/Q2VD7005
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50145511
PNG
((E)-1-Phenyl-3-(thiophen-2-yl)prop-2-en-1-one | (E...)
Show SMILES O=C(\C=C\c1cccs1)c1ccccc1
Show InChI InChI=1S/C13H10OS/c14-13(11-5-2-1-3-6-11)9-8-12-7-4-10-15-12/h1-10H/b9-8+
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n/an/a 9.02E+3n/an/an/an/an/an/a



Yeungnam University

Curated by ChEMBL


Assay Description
Inhibitory activity against murine Prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 2559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.099
BindingDB Entry DOI: 10.7270/Q2VD7005
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)
BDBM50145511
PNG
((E)-1-Phenyl-3-(thiophen-2-yl)prop-2-en-1-one | (E...)
Show SMILES O=C(\C=C\c1cccs1)c1ccccc1
Show InChI InChI=1S/C13H10OS/c14-13(11-5-2-1-3-6-11)9-8-12-7-4-10-15-12/h1-10H/b9-8+
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n/an/a 9.50E+3n/an/an/an/an/an/a



Yeungnam University

Curated by ChEMBL


Assay Description
Inhibitory activity against murine lipoxygenase-2.


Bioorg Med Chem Lett 14: 2559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.099
BindingDB Entry DOI: 10.7270/Q2VD7005
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50254380
PNG
(6,7'-oxybis(2-(2,4-dihydroxyphenyl)-4H-chromen-4-o...)
Show SMILES Oc1ccc(c(O)c1)-c1cc(=O)c2cc(Oc3ccc4c(c3)oc(cc4=O)-c3ccc(O)cc3O)ccc2o1
Show InChI InChI=1S/C30H18O9/c31-15-1-5-19(23(33)9-15)29-14-26(36)22-11-17(4-8-27(22)38-29)37-18-3-7-21-25(35)13-30(39-28(21)12-18)20-6-2-16(32)10-24(20)34/h1-14,31-34H
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n/an/a 1.00E+4n/an/an/an/an/an/a



Kangwon National University

Curated by ChEMBL


Assay Description
Inhibition of COX2-mediated PGE2 production in LPS-stimulated mouse RAW264.7 cells by ELISA


Bioorg Med Chem Lett 19: 74-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.017
BindingDB Entry DOI: 10.7270/Q24B3153
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)
BDBM50145510
PNG
((E)-1-Pyridin-3-yl-3-thiophen-3-yl-propenone | CHE...)
Show SMILES O=C(\C=C\c1ccsc1)c1cccnc1
Show InChI InChI=1S/C12H9NOS/c14-12(11-2-1-6-13-8-11)4-3-10-5-7-15-9-10/h1-9H/b4-3+
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n/an/a 1.00E+4n/an/an/an/an/an/a



Yeungnam University

Curated by ChEMBL


Assay Description
Inhibitory activity against lipoxygenase-2 in micce


Bioorg Med Chem Lett 14: 2559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.099
BindingDB Entry DOI: 10.7270/Q2VD7005
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)
BDBM50145505
PNG
((E)-1-Pyridin-2-yl-3-thiophen-2-yl-propenone | CHE...)
Show SMILES O=C(\C=C\c1cccs1)c1ccccn1
Show InChI InChI=1S/C12H9NOS/c14-12(11-5-1-2-8-13-11)7-6-10-4-3-9-15-10/h1-9H/b7-6+
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n/an/a 1.00E+4n/an/an/an/an/an/a



Yeungnam University

Curated by ChEMBL


Assay Description
Inhibitory activity against murine lipoxygenase-2.


Bioorg Med Chem Lett 14: 2559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.099
BindingDB Entry DOI: 10.7270/Q2VD7005
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50254380
PNG
(6,7'-oxybis(2-(2,4-dihydroxyphenyl)-4H-chromen-4-o...)
Show SMILES Oc1ccc(c(O)c1)-c1cc(=O)c2cc(Oc3ccc4c(c3)oc(cc4=O)-c3ccc(O)cc3O)ccc2o1
Show InChI InChI=1S/C30H18O9/c31-15-1-5-19(23(33)9-15)29-14-26(36)22-11-17(4-8-27(22)38-29)37-18-3-7-21-25(35)13-30(39-28(21)12-18)20-6-2-16(32)10-24(20)34/h1-14,31-34H
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n/an/a 1.00E+4n/an/an/an/an/an/a



Kangwon National University

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated NO production in LPS-stimulated mouse RAW264.7 cells by Griess method


Bioorg Med Chem Lett 19: 74-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.017
BindingDB Entry DOI: 10.7270/Q24B3153
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50253965
PNG
(2-(4-hydroxyphenyl)-7-(2-(2-hydroxyphenyl)-4-oxo-4...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2ccc(Oc3ccc4oc(cc(=O)c4c3)-c3ccccc3O)cc2o1
Show InChI InChI=1S/C30H18O7/c31-18-7-5-17(6-8-18)28-15-25(33)22-11-9-20(14-29(22)37-28)35-19-10-12-27-23(13-19)26(34)16-30(36-27)21-3-1-2-4-24(21)32/h1-16,31-32H
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n/an/a 1.00E+4n/an/an/an/an/an/a



Kangwon National University

Curated by ChEMBL


Assay Description
Inhibition of iNOS-mediated NO production in LPS-stimulated mouse RAW264.7 cells by Griess method


Bioorg Med Chem Lett 19: 74-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.017
BindingDB Entry DOI: 10.7270/Q24B3153
More data for this
Ligand-Target Pair
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