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PubMed code 25328063

Compile data set for download or QSAR
Found 57 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
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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Article
PubMed
n/an/a 220n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153295
PNG
(3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(4-dimethy...)
Show SMILES CN(C)c1ccc(C2CC(=NN2C(=O)Nc2ccc(Cl)cc2)c2ccc3OCCOc3c2)c2ccccc12 |c:9|
Show InChI InChI=1S/C30H27ClN4O3/c1-34(2)26-13-12-24(22-5-3-4-6-23(22)26)27-18-25(19-7-14-28-29(17-19)38-16-15-37-28)33-35(27)30(36)32-21-10-8-20(31)9-11-21/h3-14,17,27H,15-16,18H2,1-2H3,(H,32,36)
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PubMed
n/an/a 440n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Phospholipase A2 group V


(Homo sapiens (Human))
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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n/an/a 620n/an/an/an/a7.525



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
Briefly, sn-2ester bond of the substrate 1,2-bis(heptanoylthio)-glycerophosphocholine was hydrolyzed by PLA2-V followed by the exposure of free thiol...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153297
PNG
(3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(4,7- dime...)
Show SMILES COc1ccc2c(OC)ccc(C3CC(=NN3C(=O)Nc3ccc(Cl)cc3)c3ccc4OCCOc4c3)c2c1 |c:14|
Show InChI InChI=1S/C30H26ClN3O5/c1-36-21-8-9-23-24(16-21)22(10-12-27(23)37-2)26-17-25(18-3-11-28-29(15-18)39-14-13-38-28)33-34(26)30(35)32-20-6-4-19(31)5-7-20/h3-12,15-16,26H,13-14,17H2,1-2H3,(H,32,35)
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PubMed
n/an/a 940n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153294
PNG
(3-Benzofuran-2-yl-5-(2,3-dimethoxy-naphthalen-1-yl...)
Show SMILES COc1cc2ccccc2c(C2CC(=NN2C(=O)Nc2ccc(Cl)cc2)c2cc3ccccc3o2)c1OC |c:14|
Show InChI InChI=1S/C30H24ClN3O4/c1-36-27-15-18-7-3-5-9-22(18)28(29(27)37-2)24-17-23(26-16-19-8-4-6-10-25(19)38-26)33-34(24)30(35)32-21-13-11-20(31)12-14-21/h3-16,24H,17H2,1-2H3,(H,32,35)
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PubMed
n/an/a 990n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153289
PNG
(3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(4-dimethy...)
Show SMILES CN(C)c1ccc(C2CC(=NN2C(N)=S)c2ccc3OCCOc3c2)c2ccccc12 |c:9|
Show InChI InChI=1S/C24H24N4O2S/c1-27(2)20-9-8-18(16-5-3-4-6-17(16)20)21-14-19(26-28(21)24(25)31)15-7-10-22-23(13-15)30-12-11-29-22/h3-10,13,21H,11-12,14H2,1-2H3,(H2,25,31)
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n/an/a 1.12E+3n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153296
PNG
(3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(2,3-dimet...)
Show SMILES COc1cc2ccccc2c(C2CC(=NN2C(=O)Nc2ccc(Cl)cc2)c2ccc3OCCOc3c2)c1OC |c:14|
Show InChI InChI=1S/C30H26ClN3O5/c1-36-27-15-18-5-3-4-6-22(18)28(29(27)37-2)24-17-23(19-7-12-25-26(16-19)39-14-13-38-25)33-34(24)30(35)32-21-10-8-20(31)9-11-21/h3-12,15-16,24H,13-14,17H2,1-2H3,(H,32,35)
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PubMed
n/an/a 1.17E+3n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153292
PNG
(3-Benzofuran-2-yl-5-(4-dimethylamino-naphthalen-1-...)
Show SMILES CN(C)c1ccc(C2CC(=NN2C(=O)Nc2ccc(Cl)cc2)c2cc3ccccc3o2)c2ccccc12 |c:9|
Show InChI InChI=1S/C30H25ClN4O2/c1-34(2)26-16-15-24(22-8-4-5-9-23(22)26)27-18-25(29-17-19-7-3-6-10-28(19)37-29)33-35(27)30(36)32-21-13-11-20(31)12-14-21/h3-17,27H,18H2,1-2H3,(H,32,36)
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n/an/a 1.87E+3n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153293
PNG
(3-Benzofuran-2-yl-5-(4,7-dimethoxy-naphthalen-1-yl...)
Show SMILES COc1ccc2c(OC)ccc(C3CC(=NN3C(=O)Nc3ccc(Cl)cc3)c3cc4ccccc4o3)c2c1 |c:14|
Show InChI InChI=1S/C30H24ClN3O4/c1-36-21-11-12-23-24(16-21)22(13-14-28(23)37-2)26-17-25(29-15-18-5-3-4-6-27(18)38-29)33-34(26)30(35)32-20-9-7-19(31)8-10-20/h3-16,26H,17H2,1-2H3,(H,32,35)
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n/an/a 2.14E+3n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153291
PNG
(3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(4,7- dime...)
Show SMILES COc1ccc2c(OC)ccc(C3CC(=NN3C(N)=S)c3ccc4OCCOc4c3)c2c1 |c:14|
Show InChI InChI=1S/C24H23N3O4S/c1-28-15-4-5-17-18(12-15)16(6-8-21(17)29-2)20-13-19(26-27(20)24(25)32)14-3-7-22-23(11-14)31-10-9-30-22/h3-8,11-12,20H,9-10,13H2,1-2H3,(H2,25,32)
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n/an/a 2.82E+3n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153290
PNG
(3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(2,3-dimet...)
Show SMILES COc1cc2ccccc2c(C2CC(=NN2C(N)=S)c2ccc3OCCOc3c2)c1OC |c:14|
Show InChI InChI=1S/C24H23N3O4S/c1-28-21-11-14-5-3-4-6-16(14)22(23(21)29-2)18-13-17(26-27(18)24(25)32)15-7-8-19-20(12-15)31-10-9-30-19/h3-8,11-12,18H,9-10,13H2,1-2H3,(H2,25,32)
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n/an/a 3.42E+3n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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Article
PubMed
n/an/a 3.44E+3n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153286
PNG
(3-Benzofuran-2-yl-5-(4-dimethylamino-naphthalen-1-...)
Show SMILES CN(C)c1ccc(C2CC(=NN2C(N)=S)c2cc3ccccc3o2)c2ccccc12 |c:9|
Show InChI InChI=1S/C24H22N4OS/c1-27(2)20-12-11-18(16-8-4-5-9-17(16)20)21-14-19(26-28(21)24(25)30)23-13-15-7-3-6-10-22(15)29-23/h3-13,21H,14H2,1-2H3,(H2,25,30)
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n/an/a 4.53E+3n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM153294
PNG
(3-Benzofuran-2-yl-5-(2,3-dimethoxy-naphthalen-1-yl...)
Show SMILES COc1cc2ccccc2c(C2CC(=NN2C(=O)Nc2ccc(Cl)cc2)c2cc3ccccc3o2)c1OC |c:14|
Show InChI InChI=1S/C30H24ClN3O4/c1-36-27-15-18-7-3-5-9-22(18)28(29(27)37-2)24-17-23(26-16-19-8-4-6-10-25(19)38-26)33-34(24)30(35)32-21-13-11-20(31)12-14-21/h3-16,24H,17H2,1-2H3,(H,32,35)
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n/an/a 5.02E+3n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Phospholipase A2 group V


(Homo sapiens (Human))
BDBM153297
PNG
(3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(4,7- dime...)
Show SMILES COc1ccc2c(OC)ccc(C3CC(=NN3C(=O)Nc3ccc(Cl)cc3)c3ccc4OCCOc4c3)c2c1 |c:14|
Show InChI InChI=1S/C30H26ClN3O5/c1-36-21-8-9-23-24(16-21)22(10-12-27(23)37-2)26-17-25(18-3-11-28-29(15-18)39-14-13-38-28)33-34(26)30(35)32-20-6-4-19(31)5-7-20/h3-12,15-16,26H,13-14,17H2,1-2H3,(H,32,35)
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n/an/a 5.12E+3n/an/an/an/a7.525



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
Briefly, sn-2ester bond of the substrate 1,2-bis(heptanoylthio)-glycerophosphocholine was hydrolyzed by PLA2-V followed by the exposure of free thiol...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153283
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-(4-dimethy...)
Show SMILES CN(C)c1ccc(\C=C\C(=O)c2ccc3OCCOc3c2)c2ccccc12
Show InChI InChI=1S/C23H21NO3/c1-24(2)20-10-7-16(18-5-3-4-6-19(18)20)8-11-21(25)17-9-12-22-23(15-17)27-14-13-26-22/h3-12,15H,13-14H2,1-2H3/b11-8+
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n/an/a 7.06E+3n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Phospholipase A2 group V


(Homo sapiens (Human))
BDBM153291
PNG
(3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(4,7- dime...)
Show SMILES COc1ccc2c(OC)ccc(C3CC(=NN3C(N)=S)c3ccc4OCCOc4c3)c2c1 |c:14|
Show InChI InChI=1S/C24H23N3O4S/c1-28-15-4-5-17-18(12-15)16(6-8-21(17)29-2)20-13-19(26-27(20)24(25)32)14-3-7-22-23(11-14)31-10-9-30-22/h3-8,11-12,20H,9-10,13H2,1-2H3,(H2,25,32)
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n/an/a 7.12E+3n/an/an/an/a7.525



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
Briefly, sn-2ester bond of the substrate 1,2-bis(heptanoylthio)-glycerophosphocholine was hydrolyzed by PLA2-V followed by the exposure of free thiol...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153287
PNG
(3-Benzofuran-2-yl-5-(4,7-dimethoxy-naphthalen-1-yl...)
Show SMILES COc1ccc2c(OC)ccc(C3CC(=NN3C(N)=S)c3cc4ccccc4o3)c2c1 |c:14|
Show InChI InChI=1S/C24H21N3O3S/c1-28-15-7-8-17-18(12-15)16(9-10-22(17)29-2)20-13-19(26-27(20)24(25)31)23-11-14-5-3-4-6-21(14)30-23/h3-12,20H,13H2,1-2H3,(H2,25,31)
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n/an/a 7.22E+3n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153288
PNG
(3-Benzofuran-2-yl-5-(2,3-dimethoxy-naphthalen-1-yl...)
Show SMILES COc1cc2ccccc2c(C2CC(=NN2C(N)=S)c2cc3ccccc3o2)c1OC |c:14|
Show InChI InChI=1S/C24H21N3O3S/c1-28-21-11-14-7-3-5-9-16(14)22(23(21)29-2)18-13-17(26-27(18)24(25)31)20-12-15-8-4-6-10-19(15)30-20/h3-12,18H,13H2,1-2H3,(H2,25,31)
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n/an/a 8.06E+3n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153285
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-(4,7-dimet...)
Show SMILES COc1cc2ccccc2c(\C=C\C(=O)c2ccc3OCCOc3c2)c1OC
Show InChI InChI=1S/C23H20O5/c1-25-22-13-15-5-3-4-6-17(15)18(23(22)26-2)8-9-19(24)16-7-10-20-21(14-16)28-12-11-27-20/h3-10,13-14H,11-12H2,1-2H3/b9-8+
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n/an/a 8.22E+3n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Phospholipase A2 group V


(Homo sapiens (Human))
BDBM153294
PNG
(3-Benzofuran-2-yl-5-(2,3-dimethoxy-naphthalen-1-yl...)
Show SMILES COc1cc2ccccc2c(C2CC(=NN2C(=O)Nc2ccc(Cl)cc2)c2cc3ccccc3o2)c1OC |c:14|
Show InChI InChI=1S/C30H24ClN3O4/c1-36-27-15-18-7-3-5-9-22(18)28(29(27)37-2)24-17-23(26-16-19-8-4-6-10-25(19)38-26)33-34(24)30(35)32-21-13-11-20(31)12-14-21/h3-16,24H,17H2,1-2H3,(H,32,35)
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n/an/a 8.46E+3n/an/an/an/a7.525



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
Briefly, sn-2ester bond of the substrate 1,2-bis(heptanoylthio)-glycerophosphocholine was hydrolyzed by PLA2-V followed by the exposure of free thiol...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM153292
PNG
(3-Benzofuran-2-yl-5-(4-dimethylamino-naphthalen-1-...)
Show SMILES CN(C)c1ccc(C2CC(=NN2C(=O)Nc2ccc(Cl)cc2)c2cc3ccccc3o2)c2ccccc12 |c:9|
Show InChI InChI=1S/C30H25ClN4O2/c1-34(2)26-16-15-24(22-8-4-5-9-23(22)26)27-18-25(29-17-19-7-3-6-10-28(19)37-29)33-35(27)30(36)32-21-13-11-20(31)12-14-21/h3-17,27H,18H2,1-2H3,(H,32,36)
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n/an/a 9.10E+3n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Phospholipase A2 group V


(Homo sapiens (Human))
BDBM153288
PNG
(3-Benzofuran-2-yl-5-(2,3-dimethoxy-naphthalen-1-yl...)
Show SMILES COc1cc2ccccc2c(C2CC(=NN2C(N)=S)c2cc3ccccc3o2)c1OC |c:14|
Show InChI InChI=1S/C24H21N3O3S/c1-28-21-11-14-7-3-5-9-16(14)22(23(21)29-2)18-13-17(26-27(18)24(25)31)20-12-15-8-4-6-10-19(15)30-20/h3-12,18H,13H2,1-2H3,(H2,25,31)
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n/an/a 9.17E+3n/an/an/an/a7.525



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
Briefly, sn-2ester bond of the substrate 1,2-bis(heptanoylthio)-glycerophosphocholine was hydrolyzed by PLA2-V followed by the exposure of free thiol...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153280
PNG
(1-Benzofuran-2-yl-3-(4-dimethylamino-naphthalen-1-...)
Show SMILES CN(O)c1ccc(\C=C\C(=O)c2cc3ccccc3o2)c2ccccc12
Show InChI InChI=1S/C22H17NO3/c1-23(25)19-12-10-15(17-7-3-4-8-18(17)19)11-13-20(24)22-14-16-6-2-5-9-21(16)26-22/h2-14,25H,1H3/b13-11+
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n/an/a 9.27E+3n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM153295
PNG
(3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(4-dimethy...)
Show SMILES CN(C)c1ccc(C2CC(=NN2C(=O)Nc2ccc(Cl)cc2)c2ccc3OCCOc3c2)c2ccccc12 |c:9|
Show InChI InChI=1S/C30H27ClN4O3/c1-34(2)26-13-12-24(22-5-3-4-6-23(22)26)27-18-25(19-7-14-28-29(17-19)38-16-15-37-28)33-35(27)30(36)32-21-10-8-20(31)9-11-21/h3-14,17,27H,15-16,18H2,1-2H3,(H,32,36)
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n/an/a 9.72E+3n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM153288
PNG
(3-Benzofuran-2-yl-5-(2,3-dimethoxy-naphthalen-1-yl...)
Show SMILES COc1cc2ccccc2c(C2CC(=NN2C(N)=S)c2cc3ccccc3o2)c1OC |c:14|
Show InChI InChI=1S/C24H21N3O3S/c1-28-21-11-14-7-3-5-9-16(14)22(23(21)29-2)18-13-17(26-27(18)24(25)31)20-12-15-8-4-6-10-19(15)30-20/h3-12,18H,13H2,1-2H3,(H2,25,31)
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n/an/a 1.03E+4n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM153293
PNG
(3-Benzofuran-2-yl-5-(4,7-dimethoxy-naphthalen-1-yl...)
Show SMILES COc1ccc2c(OC)ccc(C3CC(=NN3C(=O)Nc3ccc(Cl)cc3)c3cc4ccccc4o3)c2c1 |c:14|
Show InChI InChI=1S/C30H24ClN3O4/c1-36-21-11-12-23-24(16-21)22(13-14-28(23)37-2)26-17-25(29-15-18-5-3-4-6-27(18)38-29)33-34(26)30(35)32-20-9-7-19(31)8-10-20/h3-16,26H,17H2,1-2H3,(H,32,35)
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n/an/a 1.11E+4n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153284
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-(2,3-dimet...)
Show SMILES COc1ccc2c(OC)ccc(\C=C\C(=O)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C23H20O5/c1-25-17-6-7-18-19(14-17)15(4-9-21(18)26-2)3-8-20(24)16-5-10-22-23(13-16)28-12-11-27-22/h3-10,13-14H,11-12H2,1-2H3/b8-3+
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n/an/a 1.11E+4n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM153297
PNG
(3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(4,7- dime...)
Show SMILES COc1ccc2c(OC)ccc(C3CC(=NN3C(=O)Nc3ccc(Cl)cc3)c3ccc4OCCOc4c3)c2c1 |c:14|
Show InChI InChI=1S/C30H26ClN3O5/c1-36-21-8-9-23-24(16-21)22(10-12-27(23)37-2)26-17-25(18-3-11-28-29(15-18)39-14-13-38-28)33-34(26)30(35)32-20-6-4-19(31)5-7-20/h3-12,15-16,26H,13-14,17H2,1-2H3,(H,32,35)
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n/an/a 1.20E+4n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM153282
PNG
(1-Benzofuran-2-yl-3-(2,3-dimethoxy-naphthalen-1-yl...)
Show SMILES COc1cc2ccccc2c(\C=C\C(=O)c2cc3ccccc3o2)c1OC
Show InChI InChI=1S/C23H18O4/c1-25-22-13-15-7-3-5-9-17(15)18(23(22)26-2)11-12-19(24)21-14-16-8-4-6-10-20(16)27-21/h3-14H,1-2H3/b12-11+
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n/an/a 1.22E+4n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM153296
PNG
(3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(2,3-dimet...)
Show SMILES COc1cc2ccccc2c(C2CC(=NN2C(=O)Nc2ccc(Cl)cc2)c2ccc3OCCOc3c2)c1OC |c:14|
Show InChI InChI=1S/C30H26ClN3O5/c1-36-27-15-18-5-3-4-6-22(18)28(29(27)37-2)24-17-23(19-7-12-25-26(16-19)39-14-13-38-25)33-34(24)30(35)32-21-10-8-20(31)9-11-21/h3-12,15-16,24H,13-14,17H2,1-2H3,(H,32,35)
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n/an/a 1.23E+4n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM153287
PNG
(3-Benzofuran-2-yl-5-(4,7-dimethoxy-naphthalen-1-yl...)
Show SMILES COc1ccc2c(OC)ccc(C3CC(=NN3C(N)=S)c3cc4ccccc4o3)c2c1 |c:14|
Show InChI InChI=1S/C24H21N3O3S/c1-28-15-7-8-17-18(12-15)16(9-10-22(17)29-2)20-13-19(26-27(20)24(25)31)23-11-14-5-3-4-6-21(14)30-23/h3-12,20H,13H2,1-2H3,(H2,25,31)
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n/an/a 1.23E+4n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM153285
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-(4,7-dimet...)
Show SMILES COc1cc2ccccc2c(\C=C\C(=O)c2ccc3OCCOc3c2)c1OC
Show InChI InChI=1S/C23H20O5/c1-25-22-13-15-5-3-4-6-17(15)18(23(22)26-2)8-9-19(24)16-7-10-20-21(14-16)28-12-11-27-20/h3-10,13-14H,11-12H2,1-2H3/b9-8+
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n/an/a 1.25E+4n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153282
PNG
(1-Benzofuran-2-yl-3-(2,3-dimethoxy-naphthalen-1-yl...)
Show SMILES COc1cc2ccccc2c(\C=C\C(=O)c2cc3ccccc3o2)c1OC
Show InChI InChI=1S/C23H18O4/c1-25-22-13-15-7-3-5-9-17(15)18(23(22)26-2)11-12-19(24)21-14-16-8-4-6-10-20(16)27-21/h3-14H,1-2H3/b12-11+
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n/an/a 1.25E+4n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM153291
PNG
(3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(4,7- dime...)
Show SMILES COc1ccc2c(OC)ccc(C3CC(=NN3C(N)=S)c3ccc4OCCOc4c3)c2c1 |c:14|
Show InChI InChI=1S/C24H23N3O4S/c1-28-15-4-5-17-18(12-15)16(6-8-21(17)29-2)20-13-19(26-27(20)24(25)32)14-3-7-22-23(11-14)31-10-9-30-22/h3-8,11-12,20H,9-10,13H2,1-2H3,(H2,25,32)
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n/an/a 1.26E+4n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Phospholipase A2 group V


(Homo sapiens (Human))
BDBM153282
PNG
(1-Benzofuran-2-yl-3-(2,3-dimethoxy-naphthalen-1-yl...)
Show SMILES COc1cc2ccccc2c(\C=C\C(=O)c2cc3ccccc3o2)c1OC
Show InChI InChI=1S/C23H18O4/c1-25-22-13-15-7-3-5-9-17(15)18(23(22)26-2)11-12-19(24)21-14-16-8-4-6-10-20(16)27-21/h3-14H,1-2H3/b12-11+
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n/an/a 1.27E+4n/an/an/an/a7.525



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
Briefly, sn-2ester bond of the substrate 1,2-bis(heptanoylthio)-glycerophosphocholine was hydrolyzed by PLA2-V followed by the exposure of free thiol...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM153289
PNG
(3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(4-dimethy...)
Show SMILES CN(C)c1ccc(C2CC(=NN2C(N)=S)c2ccc3OCCOc3c2)c2ccccc12 |c:9|
Show InChI InChI=1S/C24H24N4O2S/c1-27(2)20-9-8-18(16-5-3-4-6-17(16)20)21-14-19(26-28(21)24(25)31)15-7-10-22-23(13-15)30-12-11-29-22/h3-10,13,21H,11-12,14H2,1-2H3,(H2,25,31)
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n/an/a 1.32E+4n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Phospholipase A2 group V


(Homo sapiens (Human))
BDBM153293
PNG
(3-Benzofuran-2-yl-5-(4,7-dimethoxy-naphthalen-1-yl...)
Show SMILES COc1ccc2c(OC)ccc(C3CC(=NN3C(=O)Nc3ccc(Cl)cc3)c3cc4ccccc4o3)c2c1 |c:14|
Show InChI InChI=1S/C30H24ClN3O4/c1-36-21-11-12-23-24(16-21)22(13-14-28(23)37-2)26-17-25(29-15-18-5-3-4-6-27(18)38-29)33-34(26)30(35)32-20-9-7-19(31)8-10-20/h3-16,26H,17H2,1-2H3,(H,32,35)
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n/an/a 1.46E+4n/an/an/an/a7.525



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
Briefly, sn-2ester bond of the substrate 1,2-bis(heptanoylthio)-glycerophosphocholine was hydrolyzed by PLA2-V followed by the exposure of free thiol...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM153286
PNG
(3-Benzofuran-2-yl-5-(4-dimethylamino-naphthalen-1-...)
Show SMILES CN(C)c1ccc(C2CC(=NN2C(N)=S)c2cc3ccccc3o2)c2ccccc12 |c:9|
Show InChI InChI=1S/C24H22N4OS/c1-27(2)20-12-11-18(16-8-4-5-9-17(16)20)21-14-19(26-28(21)24(25)30)23-13-15-7-3-6-10-22(15)29-23/h3-13,21H,14H2,1-2H3,(H2,25,30)
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n/an/a 1.46E+4n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM153281
PNG
(1-Benzofuran-2-yl-3-(4,7-dimethoxy-naphthalen-1-yl...)
Show SMILES COc1ccc2c(OC)ccc(\C=C\C(=O)c3cc4ccccc4o3)c2c1
Show InChI InChI=1S/C23H18O4/c1-25-17-9-10-18-19(14-17)15(8-12-22(18)26-2)7-11-20(24)23-13-16-5-3-4-6-21(16)27-23/h3-14H,1-2H3/b11-7+
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n/an/a 1.50E+4n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Phospholipase A2 group V


(Homo sapiens (Human))
BDBM153295
PNG
(3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(4-dimethy...)
Show SMILES CN(C)c1ccc(C2CC(=NN2C(=O)Nc2ccc(Cl)cc2)c2ccc3OCCOc3c2)c2ccccc12 |c:9|
Show InChI InChI=1S/C30H27ClN4O3/c1-34(2)26-13-12-24(22-5-3-4-6-23(22)26)27-18-25(19-7-14-28-29(17-19)38-16-15-37-28)33-35(27)30(36)32-21-10-8-20(31)9-11-21/h3-14,17,27H,15-16,18H2,1-2H3,(H,32,36)
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n/an/a 1.72E+4n/an/an/an/a7.525



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
Briefly, sn-2ester bond of the substrate 1,2-bis(heptanoylthio)-glycerophosphocholine was hydrolyzed by PLA2-V followed by the exposure of free thiol...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Phospholipase A2 group V


(Homo sapiens (Human))
BDBM153296
PNG
(3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(2,3-dimet...)
Show SMILES COc1cc2ccccc2c(C2CC(=NN2C(=O)Nc2ccc(Cl)cc2)c2ccc3OCCOc3c2)c1OC |c:14|
Show InChI InChI=1S/C30H26ClN3O5/c1-36-27-15-18-5-3-4-6-22(18)28(29(27)37-2)24-17-23(19-7-12-25-26(16-19)39-14-13-38-25)33-34(24)30(35)32-21-10-8-20(31)9-11-21/h3-12,15-16,24H,13-14,17H2,1-2H3,(H,32,35)
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n/an/a 1.73E+4n/an/an/an/a7.525



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
Briefly, sn-2ester bond of the substrate 1,2-bis(heptanoylthio)-glycerophosphocholine was hydrolyzed by PLA2-V followed by the exposure of free thiol...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM153290
PNG
(3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(2,3-dimet...)
Show SMILES COc1cc2ccccc2c(C2CC(=NN2C(N)=S)c2ccc3OCCOc3c2)c1OC |c:14|
Show InChI InChI=1S/C24H23N3O4S/c1-28-21-11-14-5-3-4-6-16(14)22(23(21)29-2)18-13-17(26-27(18)24(25)32)15-7-8-19-20(12-15)31-10-9-30-19/h3-8,11-12,18H,9-10,13H2,1-2H3,(H2,25,32)
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PubMed
n/an/a 1.78E+4n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM153284
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-(2,3-dimet...)
Show SMILES COc1ccc2c(OC)ccc(\C=C\C(=O)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C23H20O5/c1-25-17-6-7-18-19(14-17)15(4-9-21(18)26-2)3-8-20(24)16-5-10-22-23(13-16)28-12-11-27-22/h3-10,13-14H,11-12H2,1-2H3/b8-3+
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n/an/a 1.85E+4n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Phospholipase A2 group V


(Homo sapiens (Human))
BDBM153285
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-(4,7-dimet...)
Show SMILES COc1cc2ccccc2c(\C=C\C(=O)c2ccc3OCCOc3c2)c1OC
Show InChI InChI=1S/C23H20O5/c1-25-22-13-15-5-3-4-6-17(15)18(23(22)26-2)8-9-19(24)16-7-10-20-21(14-16)28-12-11-27-20/h3-10,13-14H,11-12H2,1-2H3/b9-8+
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n/an/a 1.91E+4n/an/an/an/a7.525



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
Briefly, sn-2ester bond of the substrate 1,2-bis(heptanoylthio)-glycerophosphocholine was hydrolyzed by PLA2-V followed by the exposure of free thiol...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM153281
PNG
(1-Benzofuran-2-yl-3-(4,7-dimethoxy-naphthalen-1-yl...)
Show SMILES COc1ccc2c(OC)ccc(\C=C\C(=O)c3cc4ccccc4o3)c2c1
Show InChI InChI=1S/C23H18O4/c1-25-17-9-10-18-19(14-17)15(8-12-22(18)26-2)7-11-20(24)23-13-16-5-3-4-6-21(16)27-23/h3-14H,1-2H3/b11-7+
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n/an/a 1.91E+4n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Phospholipase A2 group V


(Homo sapiens (Human))
BDBM153290
PNG
(3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(2,3-dimet...)
Show SMILES COc1cc2ccccc2c(C2CC(=NN2C(N)=S)c2ccc3OCCOc3c2)c1OC |c:14|
Show InChI InChI=1S/C24H23N3O4S/c1-28-21-11-14-5-3-4-6-16(14)22(23(21)29-2)18-13-17(26-27(18)24(25)32)15-7-8-19-20(12-15)31-10-9-30-19/h3-8,11-12,18H,9-10,13H2,1-2H3,(H2,25,32)
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n/an/a 1.92E+4n/an/an/an/a7.525



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
Briefly, sn-2ester bond of the substrate 1,2-bis(heptanoylthio)-glycerophosphocholine was hydrolyzed by PLA2-V followed by the exposure of free thiol...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Phospholipase A2 group V


(Homo sapiens (Human))
BDBM153287
PNG
(3-Benzofuran-2-yl-5-(4,7-dimethoxy-naphthalen-1-yl...)
Show SMILES COc1ccc2c(OC)ccc(C3CC(=NN3C(N)=S)c3cc4ccccc4o3)c2c1 |c:14|
Show InChI InChI=1S/C24H21N3O3S/c1-28-15-7-8-17-18(12-15)16(9-10-22(17)29-2)20-13-19(26-27(20)24(25)31)23-11-14-5-3-4-6-21(14)30-23/h3-12,20H,13H2,1-2H3,(H2,25,31)
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n/an/a 2.11E+4n/an/an/an/a7.525



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
Briefly, sn-2ester bond of the substrate 1,2-bis(heptanoylthio)-glycerophosphocholine was hydrolyzed by PLA2-V followed by the exposure of free thiol...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Phospholipase A2 group V


(Homo sapiens (Human))
BDBM153292
PNG
(3-Benzofuran-2-yl-5-(4-dimethylamino-naphthalen-1-...)
Show SMILES CN(C)c1ccc(C2CC(=NN2C(=O)Nc2ccc(Cl)cc2)c2cc3ccccc3o2)c2ccccc12 |c:9|
Show InChI InChI=1S/C30H25ClN4O2/c1-34(2)26-16-15-24(22-8-4-5-9-23(22)26)27-18-25(29-17-19-7-3-6-10-28(19)37-29)33-35(27)30(36)32-21-13-11-20(31)12-14-21/h3-17,27H,18H2,1-2H3,(H,32,36)
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n/an/a 2.22E+4n/an/an/an/a7.525



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
Briefly, sn-2ester bond of the substrate 1,2-bis(heptanoylthio)-glycerophosphocholine was hydrolyzed by PLA2-V followed by the exposure of free thiol...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Phospholipase A2 group V


(Homo sapiens (Human))
BDBM153289
PNG
(3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(4-dimethy...)
Show SMILES CN(C)c1ccc(C2CC(=NN2C(N)=S)c2ccc3OCCOc3c2)c2ccccc12 |c:9|
Show InChI InChI=1S/C24H24N4O2S/c1-27(2)20-9-8-18(16-5-3-4-6-17(16)20)21-14-19(26-28(21)24(25)31)15-7-10-22-23(13-15)30-12-11-29-22/h3-10,13,21H,11-12,14H2,1-2H3,(H2,25,31)
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n/an/a 2.22E+4n/an/an/an/a7.525



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
Briefly, sn-2ester bond of the substrate 1,2-bis(heptanoylthio)-glycerophosphocholine was hydrolyzed by PLA2-V followed by the exposure of free thiol...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Phospholipase A2 group V


(Homo sapiens (Human))
BDBM153284
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-(2,3-dimet...)
Show SMILES COc1ccc2c(OC)ccc(\C=C\C(=O)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C23H20O5/c1-25-17-6-7-18-19(14-17)15(4-9-21(18)26-2)3-8-20(24)16-5-10-22-23(13-16)28-12-11-27-22/h3-10,13-14H,11-12H2,1-2H3/b8-3+
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n/an/a 2.28E+4n/an/an/an/a7.525



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
Briefly, sn-2ester bond of the substrate 1,2-bis(heptanoylthio)-glycerophosphocholine was hydrolyzed by PLA2-V followed by the exposure of free thiol...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM153283
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-(4-dimethy...)
Show SMILES CN(C)c1ccc(\C=C\C(=O)c2ccc3OCCOc3c2)c2ccccc12
Show InChI InChI=1S/C23H21NO3/c1-24(2)20-10-7-16(18-5-3-4-6-19(18)20)8-11-21(25)17-9-12-22-23(15-17)27-14-13-26-22/h3-12,15H,13-14H2,1-2H3/b11-8+
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PubMed
n/an/a 2.45E+4n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM153280
PNG
(1-Benzofuran-2-yl-3-(4-dimethylamino-naphthalen-1-...)
Show SMILES CN(O)c1ccc(\C=C\C(=O)c2cc3ccccc3o2)c2ccccc12
Show InChI InChI=1S/C22H17NO3/c1-23(25)19-12-10-15(17-7-3-4-8-18(17)19)11-13-20(24)22-14-16-6-2-5-9-21(16)26-22/h2-14,25H,1H3/b13-11+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.55E+4n/an/an/an/a8.025



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
100 mM Tris澦Cl buffer, pH 8.0 containing 1 然 heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath ...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Phospholipase A2 group V


(Homo sapiens (Human))
BDBM153281
PNG
(1-Benzofuran-2-yl-3-(4,7-dimethoxy-naphthalen-1-yl...)
Show SMILES COc1ccc2c(OC)ccc(\C=C\C(=O)c3cc4ccccc4o3)c2c1
Show InChI InChI=1S/C23H18O4/c1-25-17-9-10-18-19(14-17)15(8-12-22(18)26-2)7-11-20(24)23-13-16-5-3-4-6-21(16)27-23/h3-14H,1-2H3/b11-7+
KEGG

UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 2.78E+4n/an/an/an/a7.525



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
Briefly, sn-2ester bond of the substrate 1,2-bis(heptanoylthio)-glycerophosphocholine was hydrolyzed by PLA2-V followed by the exposure of free thiol...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Phospholipase A2 group V


(Homo sapiens (Human))
BDBM153283
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-(4-dimethy...)
Show SMILES CN(C)c1ccc(\C=C\C(=O)c2ccc3OCCOc3c2)c2ccccc12
Show InChI InChI=1S/C23H21NO3/c1-24(2)20-10-7-16(18-5-3-4-6-19(18)20)8-11-21(25)17-9-12-22-23(15-17)27-14-13-26-22/h3-12,15H,13-14H2,1-2H3/b11-8+
KEGG

UniProtKB/SwissProt

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UniChem
Article
PubMed
n/an/a 3.22E+4n/an/an/an/a7.525



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
Briefly, sn-2ester bond of the substrate 1,2-bis(heptanoylthio)-glycerophosphocholine was hydrolyzed by PLA2-V followed by the exposure of free thiol...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Phospholipase A2 group V


(Homo sapiens (Human))
BDBM153286
PNG
(3-Benzofuran-2-yl-5-(4-dimethylamino-naphthalen-1-...)
Show SMILES CN(C)c1ccc(C2CC(=NN2C(N)=S)c2cc3ccccc3o2)c2ccccc12 |c:9|
Show InChI InChI=1S/C24H22N4OS/c1-27(2)20-12-11-18(16-8-4-5-9-17(16)20)21-14-19(26-28(21)24(25)30)23-13-15-7-3-6-10-22(15)29-23/h3-13,21H,14H2,1-2H3,(H2,25,30)
KEGG

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UniChem

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Article
PubMed
n/an/a 3.54E+4n/an/an/an/a7.525



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
Briefly, sn-2ester bond of the substrate 1,2-bis(heptanoylthio)-glycerophosphocholine was hydrolyzed by PLA2-V followed by the exposure of free thiol...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
Phospholipase A2 group V


(Homo sapiens (Human))
BDBM153280
PNG
(1-Benzofuran-2-yl-3-(4-dimethylamino-naphthalen-1-...)
Show SMILES CN(O)c1ccc(\C=C\C(=O)c2cc3ccccc3o2)c2ccccc12
Show InChI InChI=1S/C22H17NO3/c1-23(25)19-12-10-15(17-7-3-4-8-18(17)19)11-13-20(24)22-14-16-6-2-5-9-21(16)26-22/h2-14,25H,1H3/b13-11+
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.52E+4n/an/an/an/a7.525



Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz



Assay Description
Briefly, sn-2ester bond of the substrate 1,2-bis(heptanoylthio)-glycerophosphocholine was hydrolyzed by PLA2-V followed by the exposure of free thiol...


Chem Biol Drug Des 85: 729-42 (2015)


Article DOI: 10.1111/cbdd.12457
BindingDB Entry DOI: 10.7270/Q26W98TX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%