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PubMed code 24844534

Compile data set for download or QSAR
Found 46 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 E synthase


(Homo sapiens (Human))		BDBM50019160
PNG
(CHEMBL3289100)
Show SMILES [H][C@]1([#6]-[#6][C@]2([#6])[#6]3=[#6]-[#6][C@@]4([H])C([#6])([#6])[#6@@H](-[#6]-[#6][C@]4([#6])[C@@]3([H])[#6]-[#6][C@@]12[#6])-[#8]-[#6](-[#6])=O)[#6@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O |r,t:6|
Show InChI InChI=1S/C32H50O4/c1-20(2)10-9-11-22(28(34)35)23-14-18-32(8)25-12-13-26-29(4,5)27(36-21(3)33)16-17-30(26,6)24(25)15-19-31(23,32)7/h10,12,22-24,26-27H,9,11,13-19H2,1-8H3,(H,34,35)/t22-,23-,24-,26-,27+,30+,31-,32+/m0/s1
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n/an/a 400n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 isolated from IL-1beta-stimulated human A549 cells preincubated for 15 mins followed by substrate addition measured af...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50019157
PNG
(CHEMBL3289097)
Show SMILES [H][C@]1([#6]-[#6][C@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6@@H](-[#8]-[#6](-[#6])=O)C([#6])([#6])[C@]1([H])[#6]-[#6]-3)[#6@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O |r,c:6|
Show InChI InChI=1S/C32H50O4/c1-20(2)10-9-11-22(28(34)35)23-14-18-32(8)25-12-13-26-29(4,5)27(36-21(3)33)16-17-30(26,6)24(25)15-19-31(23,32)7/h10,22-23,26-27H,9,11-19H2,1-8H3,(H,34,35)/t22-,23-,26-,27+,30+,31-,32+/m0/s1
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n/an/a 400n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 isolated from IL-1beta-stimulated human A549 cells preincubated for 15 mins followed by substrate addition measured af...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50303448
PNG
(Beta-elemonic acid | CHEMBL566929)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6@@H](-[#6@H]1-[#6]-[#6][C@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[#6@H]1-[#6]-[#6]-3)-[#6](-[#8])=O |r,c:12|
Show InChI InChI=1S/C30H46O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24H,8,10-18H2,1-7H3,(H,32,33)/t20-,21+,24+,28+,29-,30+/m0/s1
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n/an/a 900n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 isolated from IL-1beta-stimulated human A549 cells preincubated for 15 mins followed by substrate addition measured af...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50019154
PNG
(CHEMBL3289107)
Show SMILES [H][C@]12[C@@H](CC[C@]1(CO)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](OC(C)=O)[C@](C)(C(O)=O)[C@]3([H])CC[C@@]12C)C(C)=C |r|
Show InChI InChI=1S/C32H50O5/c1-19(2)21-10-15-32(18-33)17-16-29(5)22(26(21)32)8-9-23-28(4)13-12-25(37-20(3)34)31(7,27(35)36)24(28)11-14-30(23,29)6/h21-26,33H,1,8-18H2,2-7H3,(H,35,36)/t21-,22+,23+,24+,25-,26+,28+,29+,30+,31+,32+/m0/s1
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n/an/a 900n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 isolated from IL-1beta-stimulated human A549 cells preincubated for 15 mins followed by substrate addition measured af...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50019162
PNG
(CHEMBL3289103)
Show SMILES [H][C@@]12[C@@H](C)[C@H](C)CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]12C)C(C)C |r,t:16|
Show InChI InChI=1S/C30H48O3/c1-18(2)21-10-14-30(8)26(28(21,6)13-11-24(32)33)23(31)17-22-25-20(4)19(3)9-12-27(25,5)15-16-29(22,30)7/h17-21,25-26H,9-16H2,1-8H3,(H,32,33)/t19-,20+,21+,25+,26-,27-,28+,29-,30-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 isolated from IL-1beta-stimulated human A549 cells preincubated for 15 mins followed by substrate addition measured af...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50019156
PNG
(CHEBI:10274 | CHEMBL3289096)
Show SMILES [H][C@]1([#6]-[#6][C@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6@@H](-[#8])C([#6])([#6])[C@]1([H])[#6]-[#6]-3)[#6@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O |r,c:6|
Show InChI InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24-,25+,28+,29-,30+/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 isolated from IL-1beta-stimulated human A549 cells preincubated for 15 mins followed by substrate addition measured af...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50019158
PNG
(CHEMBL3289098)
Show SMILES [H][C@]1([#6]-[#6][C@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6@H](-[#8])C([#6])([#6])[C@]1([H])[#6]-[#6]-3)[#6@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O |r,c:6|
Show InChI InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24-,25-,28+,29-,30+/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 isolated from IL-1beta-stimulated human A549 cells preincubated for 15 mins followed by substrate addition measured af...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50006805
PNG
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1
Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 isolated from IL-1beta-stimulated human A549 cells preincubated for 15 mins followed by substrate addition measured af...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50241261
PNG
((3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-h...)
Show SMILES C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C |r,c:10|
Show InChI InChI=1S/C30H46O4/c1-17-8-11-26(3)14-15-28(5)19(23(26)18(17)2)16-20(31)24-27(4)12-10-22(32)30(7,25(33)34)21(27)9-13-29(24,28)6/h16-18,21-24,32H,8-15H2,1-7H3,(H,33,34)/t17-,18+,21-,22-,23+,24-,26-,27+,28-,29-,30-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 isolated from IL-1beta-stimulated human A549 cells preincubated for 15 mins followed by substrate addition measured af...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50019163
PNG
(Acetyl-Beta-Boswellic Acid | CHEMBL236906)
Show SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]34C)[C@@]1(C)CC[C@@H](OC(C)=O)[C@]2(C)C(O)=O |t:9|
Show InChI InChI=1S/C32H50O4/c1-19-11-14-28(4)17-18-30(6)22(26(28)20(19)2)9-10-23-29(5)15-13-25(36-21(3)33)32(8,27(34)35)24(29)12-16-31(23,30)7/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)/t19-,20+,23-,24-,25-,26+,28-,29-,30-,31-,32-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 isolated from IL-1beta-stimulated human A549 cells preincubated for 15 mins followed by substrate addition measured af...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50019159
PNG
(CHEMBL3289099)
Show SMILES [H][C@]1([#6]-[#6][C@]2([#6])[#6]3=[#6]-[#6][C@@]4([H])C([#6])([#6])[#6@H](-[#8])-[#6]-[#6][C@]4([#6])[C@@]3([H])[#6]-[#6][C@@]12[#6])[#6@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O |r,t:6|
Show InChI InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,11,20-22,24-25,31H,8,10,12-18H2,1-7H3,(H,32,33)/t20-,21-,22-,24-,25+,28+,29-,30+/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 isolated from IL-1beta-stimulated human A549 cells preincubated for 15 mins followed by substrate addition measured af...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50241262
PNG
((3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-a...)
Show SMILES C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C |r,c:10|
Show InChI InChI=1S/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23-,24-,25+,26-,28-,29+,30-,31-,32-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 isolated from IL-1beta-stimulated human A549 cells preincubated for 15 mins followed by substrate addition measured af...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50241260
PNG
((3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-h...)
Show SMILES C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C |r,c:10|
Show InChI InChI=1S/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22-,23-,24+,26-,27-,28-,29-,30-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 isolated from IL-1beta-stimulated human A549 cells preincubated for 15 mins followed by substrate addition measured af...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50019152
PNG
(CHEMBL3289105)
Show SMILES [H][C@]12[C@@H](CC[C@]1(C)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@](C)(C(O)=O)[C@]3([H])CC[C@@]12C)C(C)=C |r|
Show InChI InChI=1S/C30H48O3/c1-18(2)19-10-13-26(3)16-17-28(5)20(24(19)26)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21+,22+,23-,24+,26+,27+,28+,29+,30+/m0/s1
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n/an/a 8.50E+3n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 isolated from IL-1beta-stimulated human A549 cells preincubated for 15 mins followed by substrate addition measured af...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50019155
PNG
(CHEMBL3289101)
Show SMILES [H][C@]12CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@@H](C(C)=C)[C@]2(C)CCC(O)=O |r,t:3|
Show InChI InChI=1S/C30H48O2/c1-19(2)22-12-16-30(8)24(28(22,6)15-13-25(31)32)10-9-23-26-21(4)20(3)11-14-27(26,5)17-18-29(23,30)7/h9,20-22,24,26H,1,10-18H2,2-8H3,(H,31,32)/t20-,21+,22+,24-,26+,27-,28+,29-,30-/m1/s1
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University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by HPLC an...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50019155
PNG
(CHEMBL3289101)
Show SMILES [H][C@]12CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@@H](C(C)=C)[C@]2(C)CCC(O)=O |r,t:3|
Show InChI InChI=1S/C30H48O2/c1-19(2)22-12-16-30(8)24(28(22,6)15-13-25(31)32)10-9-23-26-21(4)20(3)11-14-27(26,5)17-18-29(23,30)7/h9,20-22,24,26H,1,10-18H2,2-8H3,(H,31,32)/t20-,21+,22+,24-,26+,27-,28+,29-,30-/m1/s1
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University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 using arachidonic acid as substrate assessed as PGE2 formation after 2 mins by LC-MS/MS analysis

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50019161
PNG
(CHEMBL3289102)
Show SMILES [H][C@]12CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@@H](C(C)C)[C@]2(C)CCC(O)=O |r,t:3|
Show InChI InChI=1S/C30H50O2/c1-19(2)22-12-16-30(8)24(28(22,6)15-13-25(31)32)10-9-23-26-21(4)20(3)11-14-27(26,5)17-18-29(23,30)7/h9,19-22,24,26H,10-18H2,1-8H3,(H,31,32)/t20-,21+,22+,24-,26+,27-,28+,29-,30-/m1/s1
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University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 5 min...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50019161
PNG
(CHEMBL3289102)
Show SMILES [H][C@]12CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@@H](C(C)C)[C@]2(C)CCC(O)=O |r,t:3|
Show InChI InChI=1S/C30H50O2/c1-19(2)22-12-16-30(8)24(28(22,6)15-13-25(31)32)10-9-23-26-21(4)20(3)11-14-27(26,5)17-18-29(23,30)7/h9,19-22,24,26H,10-18H2,1-8H3,(H,31,32)/t20-,21+,22+,24-,26+,27-,28+,29-,30-/m1/s1
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University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 isolated from IL-1beta-stimulated human A549 cells preincubated for 15 mins followed by substrate addition measured af...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50019157
PNG
(CHEMBL3289097)
Show SMILES [H][C@]1([#6]-[#6][C@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6@@H](-[#8]-[#6](-[#6])=O)C([#6])([#6])[C@]1([H])[#6]-[#6]-3)[#6@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O |r,c:6|
Show InChI InChI=1S/C32H50O4/c1-20(2)10-9-11-22(28(34)35)23-14-18-32(8)25-12-13-26-29(4,5)27(36-21(3)33)16-17-30(26,6)24(25)15-19-31(23,32)7/h10,22-23,26-27H,9,11-19H2,1-8H3,(H,34,35)/t22-,23-,26-,27+,30+,31-,32+/m0/s1
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University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by HPLC an...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50019159
PNG
(CHEMBL3289099)
Show SMILES [H][C@]1([#6]-[#6][C@]2([#6])[#6]3=[#6]-[#6][C@@]4([H])C([#6])([#6])[#6@H](-[#8])-[#6]-[#6][C@]4([#6])[C@@]3([H])[#6]-[#6][C@@]12[#6])[#6@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O |r,t:6|
Show InChI InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,11,20-22,24-25,31H,8,10,12-18H2,1-7H3,(H,32,33)/t20-,21-,22-,24-,25+,28+,29-,30+/m0/s1
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University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by HPLC an...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50019152
PNG
(CHEMBL3289105)
Show SMILES [H][C@]12[C@@H](CC[C@]1(C)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@](C)(C(O)=O)[C@]3([H])CC[C@@]12C)C(C)=C |r|
Show InChI InChI=1S/C30H48O3/c1-18(2)19-10-13-26(3)16-17-28(5)20(24(19)26)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21+,22+,23-,24+,26+,27+,28+,29+,30+/m0/s1
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University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by HPLC an...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50019153
PNG
(CHEMBL3289106)
Show SMILES [H][C@]12[C@@H](CC[C@]1(C)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](OC(C)=O)[C@](C)(C(O)=O)[C@]3([H])CC[C@@]12C)C(C)=C |r|
Show InChI InChI=1S/C32H50O4/c1-19(2)21-11-14-28(4)17-18-30(6)22(26(21)28)9-10-23-29(5)15-13-25(36-20(3)33)32(8,27(34)35)24(29)12-16-31(23,30)7/h21-26H,1,9-18H2,2-8H3,(H,34,35)/t21-,22+,23+,24+,25-,26+,28+,29+,30+,31+,32+/m0/s1
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University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 isolated from IL-1beta-stimulated human A549 cells preincubated for 15 mins followed by substrate addition measured af...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50019155
PNG
(CHEMBL3289101)
Show SMILES [H][C@]12CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@@H](C(C)=C)[C@]2(C)CCC(O)=O |r,t:3|
Show InChI InChI=1S/C30H48O2/c1-19(2)22-12-16-30(8)24(28(22,6)15-13-25(31)32)10-9-23-26-21(4)20(3)11-14-27(26,5)17-18-29(23,30)7/h9,20-22,24,26H,1,10-18H2,2-8H3,(H,31,32)/t20-,21+,22+,24-,26+,27-,28+,29-,30-/m1/s1
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University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of human COX-2 using arachidonic acid as substrate assessed as PGE2 formation after 2 mins by LC-MS/MS analysis

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50303448
PNG
(Beta-elemonic acid | CHEMBL566929)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6@@H](-[#6@H]1-[#6]-[#6][C@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[#6@H]1-[#6]-[#6]-3)-[#6](-[#8])=O |r,c:12|
Show InChI InChI=1S/C30H46O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24H,8,10-18H2,1-7H3,(H,32,33)/t20-,21+,24+,28+,29-,30+/m0/s1
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University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by HPLC an...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50019151
PNG
(CHEMBL3289104)
Show SMILES [H][C@@]12CC(C)(C)CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]12C)C(C)C |r,t:16|
Show InChI InChI=1S/C30H50O2/c1-20(2)21-11-14-30(8)24(28(21,6)13-12-25(31)32)10-9-22-23-19-26(3,4)15-16-27(23,5)17-18-29(22,30)7/h9,20-21,23-24H,10-19H2,1-8H3,(H,31,32)/t21-,23-,24+,27+,28-,29+,30+/m0/s1
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University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by HPLC an...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50019153
PNG
(CHEMBL3289106)
Show SMILES [H][C@]12[C@@H](CC[C@]1(C)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](OC(C)=O)[C@](C)(C(O)=O)[C@]3([H])CC[C@@]12C)C(C)=C |r|
Show InChI InChI=1S/C32H50O4/c1-19(2)21-11-14-28(4)17-18-30(6)22(26(21)28)9-10-23-29(5)15-13-25(36-20(3)33)32(8,27(34)35)24(29)12-16-31(23,30)7/h21-26H,1,9-18H2,2-8H3,(H,34,35)/t21-,22+,23+,24+,25-,26+,28+,29+,30+,31+,32+/m0/s1
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University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by HPLC an...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50019155
PNG
(CHEMBL3289101)
Show SMILES [H][C@]12CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@@H](C(C)=C)[C@]2(C)CCC(O)=O |r,t:3|
Show InChI InChI=1S/C30H48O2/c1-19(2)22-12-16-30(8)24(28(22,6)15-13-25(31)32)10-9-23-26-21(4)20(3)11-14-27(26,5)17-18-29(23,30)7/h9,20-22,24,26H,1,10-18H2,2-8H3,(H,31,32)/t20-,21+,22+,24-,26+,27-,28+,29-,30-/m1/s1
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University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 isolated from IL-1beta-stimulated human A549 cells preincubated for 15 mins followed by substrate addition measured af...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50019156
PNG
(CHEBI:10274 | CHEMBL3289096)
Show SMILES [H][C@]1([#6]-[#6][C@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6@@H](-[#8])C([#6])([#6])[C@]1([H])[#6]-[#6]-3)[#6@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O |r,c:6|
Show InChI InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24-,25+,28+,29-,30+/m0/s1
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University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by HPLC an...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50019157
PNG
(CHEMBL3289097)
Show SMILES [H][C@]1([#6]-[#6][C@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6@@H](-[#8]-[#6](-[#6])=O)C([#6])([#6])[C@]1([H])[#6]-[#6]-3)[#6@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O |r,c:6|
Show InChI InChI=1S/C32H50O4/c1-20(2)10-9-11-22(28(34)35)23-14-18-32(8)25-12-13-26-29(4,5)27(36-21(3)33)16-17-30(26,6)24(25)15-19-31(23,32)7/h10,22-23,26-27H,9,11-19H2,1-8H3,(H,34,35)/t22-,23-,26-,27+,30+,31-,32+/m0/s1
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University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 5 min...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50303448
PNG
(Beta-elemonic acid | CHEMBL566929)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6@@H](-[#6@H]1-[#6]-[#6][C@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[#6@H]1-[#6]-[#6]-3)-[#6](-[#8])=O |r,c:12|
Show InChI InChI=1S/C30H46O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24H,8,10-18H2,1-7H3,(H,32,33)/t20-,21+,24+,28+,29-,30+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 5 min...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50019155
PNG
(CHEMBL3289101)
Show SMILES [H][C@]12CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@@H](C(C)=C)[C@]2(C)CCC(O)=O |r,t:3|
Show InChI InChI=1S/C30H48O2/c1-19(2)22-12-16-30(8)24(28(22,6)15-13-25(31)32)10-9-23-26-21(4)20(3)11-14-27(26,5)17-18-29(23,30)7/h9,20-22,24,26H,1,10-18H2,2-8H3,(H,31,32)/t20-,21+,22+,24-,26+,27-,28+,29-,30-/m1/s1
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University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 5 min...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50019154
PNG
(CHEMBL3289107)
Show SMILES [H][C@]12[C@@H](CC[C@]1(CO)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](OC(C)=O)[C@](C)(C(O)=O)[C@]3([H])CC[C@@]12C)C(C)=C |r|
Show InChI InChI=1S/C32H50O5/c1-19(2)21-10-15-32(18-33)17-16-29(5)22(26(21)32)8-9-23-28(4)13-12-25(37-20(3)34)31(7,27(35)36)24(28)11-14-30(23,29)6/h21-26,33H,1,8-18H2,2-7H3,(H,35,36)/t21-,22+,23+,24+,25-,26+,28+,29+,30+,31+,32+/m0/s1
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University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 5 min...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50019161
PNG
(CHEMBL3289102)
Show SMILES [H][C@]12CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@@H](C(C)C)[C@]2(C)CCC(O)=O |r,t:3|
Show InChI InChI=1S/C30H50O2/c1-19(2)22-12-16-30(8)24(28(22,6)15-13-25(31)32)10-9-23-26-21(4)20(3)11-14-27(26,5)17-18-29(23,30)7/h9,19-22,24,26H,10-18H2,1-8H3,(H,31,32)/t20-,21+,22+,24-,26+,27-,28+,29-,30-/m1/s1
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University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by HPLC an...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50019160
PNG
(CHEMBL3289100)
Show SMILES [H][C@]1([#6]-[#6][C@]2([#6])[#6]3=[#6]-[#6][C@@]4([H])C([#6])([#6])[#6@@H](-[#6]-[#6][C@]4([#6])[C@@]3([H])[#6]-[#6][C@@]12[#6])-[#8]-[#6](-[#6])=O)[#6@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O |r,t:6|
Show InChI InChI=1S/C32H50O4/c1-20(2)10-9-11-22(28(34)35)23-14-18-32(8)25-12-13-26-29(4,5)27(36-21(3)33)16-17-30(26,6)24(25)15-19-31(23,32)7/h10,12,22-24,26-27H,9,11,13-19H2,1-8H3,(H,34,35)/t22-,23-,24-,26-,27+,30+,31-,32+/m0/s1
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University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by HPLC an...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50019152
PNG
(CHEMBL3289105)
Show SMILES [H][C@]12[C@@H](CC[C@]1(C)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@](C)(C(O)=O)[C@]3([H])CC[C@@]12C)C(C)=C |r|
Show InChI InChI=1S/C30H48O3/c1-18(2)19-10-13-26(3)16-17-28(5)20(24(19)26)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21+,22+,23-,24+,26+,27+,28+,29+,30+/m0/s1
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University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 5 min...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50019151
PNG
(CHEMBL3289104)
Show SMILES [H][C@@]12CC(C)(C)CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]12C)C(C)C |r,t:16|
Show InChI InChI=1S/C30H50O2/c1-20(2)21-11-14-30(8)24(28(21,6)13-12-25(31)32)10-9-22-23-19-26(3,4)15-16-27(23,5)17-18-29(22,30)7/h9,20-21,23-24H,10-19H2,1-8H3,(H,31,32)/t21-,23-,24+,27+,28-,29+,30+/m0/s1
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University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 5 min...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50019159
PNG
(CHEMBL3289099)
Show SMILES [H][C@]1([#6]-[#6][C@]2([#6])[#6]3=[#6]-[#6][C@@]4([H])C([#6])([#6])[#6@H](-[#8])-[#6]-[#6][C@]4([#6])[C@@]3([H])[#6]-[#6][C@@]12[#6])[#6@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O |r,t:6|
Show InChI InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,11,20-22,24-25,31H,8,10,12-18H2,1-7H3,(H,32,33)/t20-,21-,22-,24-,25+,28+,29-,30+/m0/s1
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University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 5 min...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50019162
PNG
(CHEMBL3289103)
Show SMILES [H][C@@]12[C@@H](C)[C@H](C)CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]12C)C(C)C |r,t:16|
Show InChI InChI=1S/C30H48O3/c1-18(2)21-10-14-30(8)26(28(21,6)13-11-24(32)33)23(31)17-22-25-20(4)19(3)9-12-27(25,5)15-16-29(22,30)7/h17-21,25-26H,9-16H2,1-8H3,(H,32,33)/t19-,20+,21+,25+,26-,27-,28+,29-,30-/m1/s1
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University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by HPLC an...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50019151
PNG
(CHEMBL3289104)
Show SMILES [H][C@@]12CC(C)(C)CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]12C)C(C)C |r,t:16|
Show InChI InChI=1S/C30H50O2/c1-20(2)21-11-14-30(8)24(28(21,6)13-12-25(31)32)10-9-22-23-19-26(3,4)15-16-27(23,5)17-18-29(22,30)7/h9,20-21,23-24H,10-19H2,1-8H3,(H,31,32)/t21-,23-,24+,27+,28-,29+,30+/m0/s1
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University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 isolated from IL-1beta-stimulated human A549 cells preincubated for 15 mins followed by substrate addition measured af...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50019153
PNG
(CHEMBL3289106)
Show SMILES [H][C@]12[C@@H](CC[C@]1(C)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](OC(C)=O)[C@](C)(C(O)=O)[C@]3([H])CC[C@@]12C)C(C)=C |r|
Show InChI InChI=1S/C32H50O4/c1-19(2)21-11-14-28(4)17-18-30(6)22(26(21)28)9-10-23-29(5)15-13-25(36-20(3)33)32(8,27(34)35)24(29)12-16-31(23,30)7/h21-26H,1,9-18H2,2-8H3,(H,34,35)/t21-,22+,23+,24+,25-,26+,28+,29+,30+,31+,32+/m0/s1
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University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 5 min...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50019160
PNG
(CHEMBL3289100)
Show SMILES [H][C@]1([#6]-[#6][C@]2([#6])[#6]3=[#6]-[#6][C@@]4([H])C([#6])([#6])[#6@@H](-[#6]-[#6][C@]4([#6])[C@@]3([H])[#6]-[#6][C@@]12[#6])-[#8]-[#6](-[#6])=O)[#6@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O |r,t:6|
Show InChI InChI=1S/C32H50O4/c1-20(2)10-9-11-22(28(34)35)23-14-18-32(8)25-12-13-26-29(4,5)27(36-21(3)33)16-17-30(26,6)24(25)15-19-31(23,32)7/h10,12,22-24,26-27H,9,11,13-19H2,1-8H3,(H,34,35)/t22-,23-,24-,26-,27+,30+,31-,32+/m0/s1
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University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 5 min...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50019158
PNG
(CHEMBL3289098)
Show SMILES [H][C@]1([#6]-[#6][C@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6@H](-[#8])C([#6])([#6])[C@]1([H])[#6]-[#6]-3)[#6@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O |r,c:6|
Show InChI InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24-,25-,28+,29-,30+/m0/s1
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University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 5 min...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50019156
PNG
(CHEBI:10274 | CHEMBL3289096)
Show SMILES [H][C@]1([#6]-[#6][C@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6@@H](-[#8])C([#6])([#6])[C@]1([H])[#6]-[#6]-3)[#6@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O |r,c:6|
Show InChI InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24-,25+,28+,29-,30+/m0/s1
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University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 5 min...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50019162
PNG
(CHEMBL3289103)
Show SMILES [H][C@@]12[C@@H](C)[C@H](C)CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]12C)C(C)C |r,t:16|
Show InChI InChI=1S/C30H48O3/c1-18(2)21-10-14-30(8)26(28(21,6)13-11-24(32)33)23(31)17-22-25-20(4)19(3)9-12-27(25,5)15-16-29(22,30)7/h17-21,25-26H,9-16H2,1-8H3,(H,32,33)/t19-,20+,21+,25+,26-,27-,28+,29-,30-/m1/s1
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University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 5 min...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50019158
PNG
(CHEMBL3289098)
Show SMILES [H][C@]1([#6]-[#6][C@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6@H](-[#8])C([#6])([#6])[C@]1([H])[#6]-[#6]-3)[#6@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O |r,c:6|
Show InChI InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24-,25-,28+,29-,30+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by HPLC an...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50019154
PNG
(CHEMBL3289107)
Show SMILES [H][C@]12[C@@H](CC[C@]1(CO)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](OC(C)=O)[C@](C)(C(O)=O)[C@]3([H])CC[C@@]12C)C(C)=C |r|
Show InChI InChI=1S/C32H50O5/c1-19(2)21-10-15-32(18-33)17-16-29(5)22(26(21)32)8-9-23-28(4)13-12-25(37-20(3)34)31(7,27(35)36)24(28)11-14-30(23,29)6/h21-26,33H,1,8-18H2,2-7H3,(H,35,36)/t21-,22+,23+,24+,25-,26+,28+,29+,30+,31+,32+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by HPLC an...

J Nat Prod 77: 1445-51 (2014)


Article DOI: 10.1021/np500198g
BindingDB Entry DOI: 10.7270/Q23X887B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%