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PubMed code 21800856

Compile data set for download or QSAR
Found 50 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 2


(Ovis aries (Sheep))		BDBM50391884
PNG
(CHEMBL463574)
Show SMILES C\C=C\c1ccc2oc(c(C)c2c1)-c1ccc(O)cc1
Show InChI InChI=1S/C18H16O2/c1-3-4-13-5-10-17-16(11-13)12(2)18(20-17)14-6-8-15(19)9-7-14/h3-11,19H,1-2H3/b4-3+
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of sheep placental COX2 assessed as PGE2 production by enzyme immunoassay

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50391887
PNG
(CHEMBL2147422)
Show SMILES C\C=C\c1ccc2oc(cc2c1)-c1ccc(O)cc1
Show InChI InChI=1S/C17H14O2/c1-2-3-12-4-9-16-14(10-12)11-17(19-16)13-5-7-15(18)8-6-13/h2-11,18H,1H3/b3-2+
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of sheep placental COX2 assessed as PGE2 production by enzyme immunoassay

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
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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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of ram seminal vesicle COX1 assessed as PGE2 production by enzyme immunoassay

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		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 2.10E+3n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of sheep placental COX2 assessed as PGE2 production by enzyme immunoassay

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 2.10E+3n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL-1beta treated human A549 cell microsomal membrane assessed as inhibition of PGE2 formation incubated for 15 mins before ad...

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50391880
PNG
(CHEMBL2147423)
Show SMILES COc1cc(O)ccc1-c1cc2cc(\C=C\C)ccc2o1
Show InChI InChI=1S/C18H16O3/c1-3-4-12-5-8-16-13(9-12)10-18(21-16)15-7-6-14(19)11-17(15)20-2/h3-11,19H,1-2H3/b4-3+
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n/an/a 2.70E+3n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of ram seminal vesicle COX1 assessed as PGE2 production by enzyme immunoassay

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50391884
PNG
(CHEMBL463574)
Show SMILES C\C=C\c1ccc2oc(c(C)c2c1)-c1ccc(O)cc1
Show InChI InChI=1S/C18H16O2/c1-3-4-13-5-10-17-16(11-13)12(2)18(20-17)14-6-8-15(19)9-7-14/h3-11,19H,1-2H3/b4-3+
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of ram seminal vesicle COX1 assessed as PGE2 production by enzyme immunoassay

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50391890
PNG
(CHEMBL2147420)
Show SMILES C\C=C\c1ccc2oc(cc2c1)-c1ccc(O)cc1O
Show InChI InChI=1S/C17H14O3/c1-2-3-11-4-7-16-12(8-11)9-17(20-16)14-6-5-13(18)10-15(14)19/h2-10,18-19H,1H3/b3-2+
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of ram seminal vesicle COX1 assessed as PGE2 production by enzyme immunoassay

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50391887
PNG
(CHEMBL2147422)
Show SMILES C\C=C\c1ccc2oc(cc2c1)-c1ccc(O)cc1
Show InChI InChI=1S/C17H14O2/c1-2-3-12-4-9-16-14(10-12)11-17(19-16)13-5-7-15(18)8-6-13/h2-11,18H,1H3/b3-2+
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n/an/a 5.30E+3n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL-1beta treated human A549 cell microsomal membrane assessed as inhibition of PGE2 formation incubated for 15 mins before ad...

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		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 6.30E+3n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human neutrophils assessed as inhibition of LTB4 production

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50391890
PNG
(CHEMBL2147420)
Show SMILES C\C=C\c1ccc2oc(cc2c1)-c1ccc(O)cc1O
Show InChI InChI=1S/C17H14O3/c1-2-3-11-4-7-16-12(8-11)9-17(20-16)14-6-5-13(18)10-15(14)19/h2-10,18-19H,1H3/b3-2+
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n/an/a 7.10E+3n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of sheep placental COX2 assessed as PGE2 production by enzyme immunoassay

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50391890
PNG
(CHEMBL2147420)
Show SMILES C\C=C\c1ccc2oc(cc2c1)-c1ccc(O)cc1O
Show InChI InChI=1S/C17H14O3/c1-2-3-11-4-7-16-12(8-11)9-17(20-16)14-6-5-13(18)10-15(14)19/h2-10,18-19H,1H3/b3-2+
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n/an/a 7.40E+3n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL-1beta treated human A549 cell microsomal membrane assessed as inhibition of PGE2 formation incubated for 15 mins before ad...

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50391880
PNG
(CHEMBL2147423)
Show SMILES COc1cc(O)ccc1-c1cc2cc(\C=C\C)ccc2o1
Show InChI InChI=1S/C18H16O3/c1-3-4-12-5-8-16-13(9-12)10-18(21-16)15-7-6-14(19)11-17(15)20-2/h3-11,19H,1-2H3/b4-3+
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n/an/a 7.60E+3n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of sheep placental COX2 assessed as PGE2 production by enzyme immunoassay

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50391884
PNG
(CHEMBL463574)
Show SMILES C\C=C\c1ccc2oc(c(C)c2c1)-c1ccc(O)cc1
Show InChI InChI=1S/C18H16O2/c1-3-4-13-5-10-17-16(11-13)12(2)18(20-17)14-6-8-15(19)9-7-14/h3-11,19H,1-2H3/b4-3+
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL-1beta treated human A549 cell microsomal membrane assessed as inhibition of PGE2 formation incubated for 15 mins before ad...

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50391883
PNG
(CHEMBL2147424)
Show SMILES COc1ccc(-c2cc3cc(\C=C\C)ccc3o2)c(O)c1
Show InChI InChI=1S/C18H16O3/c1-3-4-12-5-8-17-13(9-12)10-18(21-17)15-7-6-14(20-2)11-16(15)19/h3-11,19H,1-2H3/b4-3+
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL-1beta treated human A549 cell microsomal membrane assessed as inhibition of PGE2 formation incubated for 15 mins before ad...

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50391880
PNG
(CHEMBL2147423)
Show SMILES COc1cc(O)ccc1-c1cc2cc(\C=C\C)ccc2o1
Show InChI InChI=1S/C18H16O3/c1-3-4-12-5-8-16-13(9-12)10-18(21-16)15-7-6-14(19)11-17(15)20-2/h3-11,19H,1-2H3/b4-3+
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n/an/a 1.35E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL-1beta treated human A549 cell microsomal membrane assessed as inhibition of PGE2 formation incubated for 15 mins before ad...

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50391887
PNG
(CHEMBL2147422)
Show SMILES C\C=C\c1ccc2oc(cc2c1)-c1ccc(O)cc1
Show InChI InChI=1S/C17H14O2/c1-2-3-12-4-9-16-14(10-12)11-17(19-16)13-5-7-15(18)8-6-13/h2-11,18H,1H3/b3-2+
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n/an/a 1.83E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of ram seminal vesicle COX1 assessed as PGE2 production by enzyme immunoassay

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50391886
PNG
(CHEMBL2147421)
Show SMILES C\C=C\c1ccc2O[C@H]([C@H](C)c2c1)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C18H18O2/c1-3-4-13-5-10-17-16(11-13)12(2)18(20-17)14-6-8-15(19)9-7-14/h3-12,18-19H,1-2H3/b4-3+/t12-,18-/m1/s1
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n/an/a 1.84E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human neutrophils assessed as inhibition of LTB4 production

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50391886
PNG
(CHEMBL2147421)
Show SMILES C\C=C\c1ccc2O[C@H]([C@H](C)c2c1)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C18H18O2/c1-3-4-13-5-10-17-16(11-13)12(2)18(20-17)14-6-8-15(19)9-7-14/h3-12,18-19H,1-2H3/b4-3+/t12-,18-/m1/s1
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n/an/a 1.95E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL-1beta treated human A549 cell microsomal membrane assessed as inhibition of PGE2 formation incubated for 15 mins before ad...

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50391889
PNG
(CHEMBL2147419)
Show SMILES COc1ccc(-c2cc3cc(CCCO)ccc3o2)c(O)c1
Show InChI InChI=1S/C18H18O4/c1-21-14-5-6-15(16(20)11-14)18-10-13-9-12(3-2-8-19)4-7-17(13)22-18/h4-7,9-11,19-20H,2-3,8H2,1H3
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n/an/a 2.72E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human neutrophils assessed as inhibition of LTB4 production

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50391888
PNG
(CHEMBL2147418)
Show SMILES C\C=C\c1ccc2O[C@@H]([C@@H](CO)c2c1)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C18H18O3/c1-2-3-12-4-9-17-15(10-12)16(11-19)18(21-17)13-5-7-14(20)8-6-13/h2-10,16,18-20H,11H2,1H3/b3-2+/t16-,18+/m0/s1
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n/an/a 3.95E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL-1beta treated human A549 cell microsomal membrane assessed as inhibition of PGE2 formation incubated for 15 mins before ad...

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50391881
PNG
(CHEMBL2147415)
Show SMILES COc1cc(O)ccc1-c1cc2cc(CCCO)ccc2o1
Show InChI InChI=1S/C18H18O4/c1-21-17-11-14(20)5-6-15(17)18-10-13-9-12(3-2-8-19)4-7-16(13)22-18/h4-7,9-11,19-20H,2-3,8H2,1H3
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n/an/a 4.14E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human neutrophils assessed as inhibition of LTB4 production

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50391889
PNG
(CHEMBL2147419)
Show SMILES COc1ccc(-c2cc3cc(CCCO)ccc3o2)c(O)c1
Show InChI InChI=1S/C18H18O4/c1-21-14-5-6-15(16(20)11-14)18-10-13-9-12(3-2-8-19)4-7-17(13)22-18/h4-7,9-11,19-20H,2-3,8H2,1H3
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n/an/a 4.20E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL-1beta treated human A549 cell microsomal membrane assessed as inhibition of PGE2 formation incubated for 15 mins before ad...

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50391889
PNG
(CHEMBL2147419)
Show SMILES COc1ccc(-c2cc3cc(CCCO)ccc3o2)c(O)c1
Show InChI InChI=1S/C18H18O4/c1-21-14-5-6-15(16(20)11-14)18-10-13-9-12(3-2-8-19)4-7-17(13)22-18/h4-7,9-11,19-20H,2-3,8H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of sheep placental COX2 assessed as PGE2 production by enzyme immunoassay

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50391888
PNG
(CHEMBL2147418)
Show SMILES C\C=C\c1ccc2O[C@@H]([C@@H](CO)c2c1)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C18H18O3/c1-2-3-12-4-9-17-15(10-12)16(11-19)18(21-17)13-5-7-14(20)8-6-13/h2-10,16,18-20H,11H2,1H3/b3-2+/t16-,18+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of sheep placental COX2 assessed as PGE2 production by enzyme immunoassay

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50391883
PNG
(CHEMBL2147424)
Show SMILES COc1ccc(-c2cc3cc(\C=C\C)ccc3o2)c(O)c1
Show InChI InChI=1S/C18H16O3/c1-3-4-12-5-8-17-13(9-12)10-18(21-17)15-7-6-14(20-2)11-16(15)19/h3-11,19H,1-2H3/b4-3+
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human neutrophils assessed as inhibition of LTB4 production

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50391885
PNG
(CHEMBL2147417)
Show SMILES C[C@H]1[C@@H](C)[C@@H](O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C18H20O3/c1-11-12(2)18(14-5-9-16(20)10-6-14)21-17(11)13-3-7-15(19)8-4-13/h3-12,17-20H,1-2H3/t11-,12+,17-,18+
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human neutrophils assessed as inhibition of LTB4 production

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50391881
PNG
(CHEMBL2147415)
Show SMILES COc1cc(O)ccc1-c1cc2cc(CCCO)ccc2o1
Show InChI InChI=1S/C18H18O4/c1-21-17-11-14(20)5-6-15(17)18-10-13-9-12(3-2-8-19)4-7-16(13)22-18/h4-7,9-11,19-20H,2-3,8H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of ram seminal vesicle COX1 assessed as PGE2 production by enzyme immunoassay

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50391888
PNG
(CHEMBL2147418)
Show SMILES C\C=C\c1ccc2O[C@@H]([C@@H](CO)c2c1)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C18H18O3/c1-2-3-12-4-9-17-15(10-12)16(11-19)18(21-17)13-5-7-14(20)8-6-13/h2-10,16,18-20H,11H2,1H3/b3-2+/t16-,18+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of ram seminal vesicle COX1 assessed as PGE2 production by enzyme immunoassay

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50391888
PNG
(CHEMBL2147418)
Show SMILES C\C=C\c1ccc2O[C@@H]([C@@H](CO)c2c1)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C18H18O3/c1-2-3-12-4-9-17-15(10-12)16(11-19)18(21-17)13-5-7-14(20)8-6-13/h2-10,16,18-20H,11H2,1H3/b3-2+/t16-,18+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human neutrophils assessed as inhibition of LTB4 production

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50391887
PNG
(CHEMBL2147422)
Show SMILES C\C=C\c1ccc2oc(cc2c1)-c1ccc(O)cc1
Show InChI InChI=1S/C17H14O2/c1-2-3-12-4-9-16-14(10-12)11-17(19-16)13-5-7-15(18)8-6-13/h2-11,18H,1H3/b3-2+
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human neutrophils assessed as inhibition of LTB4 production

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50391886
PNG
(CHEMBL2147421)
Show SMILES C\C=C\c1ccc2O[C@H]([C@H](C)c2c1)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C18H18O2/c1-3-4-13-5-10-17-16(11-13)12(2)18(20-17)14-6-8-15(19)9-7-14/h3-12,18-19H,1-2H3/b4-3+/t12-,18-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of ram seminal vesicle COX1 assessed as PGE2 production by enzyme immunoassay

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50391882
PNG
(CHEMBL2147416)
Show SMILES C[C@H]1[C@@H](C)[C@H](O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C18H20O3/c1-11-12(2)18(14-5-9-16(20)10-6-14)21-17(11)13-3-7-15(19)8-4-13/h3-12,17-20H,1-2H3/t11-,12+,17-,18-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL-1beta treated human A549 cell microsomal membrane assessed as inhibition of PGE2 formation incubated for 15 mins before ad...

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50391880
PNG
(CHEMBL2147423)
Show SMILES COc1cc(O)ccc1-c1cc2cc(\C=C\C)ccc2o1
Show InChI InChI=1S/C18H16O3/c1-3-4-12-5-8-16-13(9-12)10-18(21-16)15-7-6-14(19)11-17(15)20-2/h3-11,19H,1-2H3/b4-3+
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human neutrophils assessed as inhibition of LTB4 production

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50391882
PNG
(CHEMBL2147416)
Show SMILES C[C@H]1[C@@H](C)[C@H](O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C18H20O3/c1-11-12(2)18(14-5-9-16(20)10-6-14)21-17(11)13-3-7-15(19)8-4-13/h3-12,17-20H,1-2H3/t11-,12+,17-,18-/m0/s1
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University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of ram seminal vesicle COX1 assessed as PGE2 production by enzyme immunoassay

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50391885
PNG
(CHEMBL2147417)
Show SMILES C[C@H]1[C@@H](C)[C@@H](O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C18H20O3/c1-11-12(2)18(14-5-9-16(20)10-6-14)21-17(11)13-3-7-15(19)8-4-13/h3-12,17-20H,1-2H3/t11-,12+,17-,18+
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University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of sheep placental COX2 assessed as PGE2 production by enzyme immunoassay

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50391881
PNG
(CHEMBL2147415)
Show SMILES COc1cc(O)ccc1-c1cc2cc(CCCO)ccc2o1
Show InChI InChI=1S/C18H18O4/c1-21-17-11-14(20)5-6-15(17)18-10-13-9-12(3-2-8-19)4-7-16(13)22-18/h4-7,9-11,19-20H,2-3,8H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL-1beta treated human A549 cell microsomal membrane assessed as inhibition of PGE2 formation incubated for 15 mins before ad...

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50391883
PNG
(CHEMBL2147424)
Show SMILES COc1ccc(-c2cc3cc(\C=C\C)ccc3o2)c(O)c1
Show InChI InChI=1S/C18H16O3/c1-3-4-12-5-8-17-13(9-12)10-18(21-17)15-7-6-14(20-2)11-16(15)19/h3-11,19H,1-2H3/b4-3+
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University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of ram seminal vesicle COX1 assessed as PGE2 production by enzyme immunoassay

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50391881
PNG
(CHEMBL2147415)
Show SMILES COc1cc(O)ccc1-c1cc2cc(CCCO)ccc2o1
Show InChI InChI=1S/C18H18O4/c1-21-17-11-14(20)5-6-15(17)18-10-13-9-12(3-2-8-19)4-7-16(13)22-18/h4-7,9-11,19-20H,2-3,8H2,1H3
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University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of sheep placental COX2 assessed as PGE2 production by enzyme immunoassay

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50391883
PNG
(CHEMBL2147424)
Show SMILES COc1ccc(-c2cc3cc(\C=C\C)ccc3o2)c(O)c1
Show InChI InChI=1S/C18H16O3/c1-3-4-12-5-8-17-13(9-12)10-18(21-17)15-7-6-14(20-2)11-16(15)19/h3-11,19H,1-2H3/b4-3+
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University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of sheep placental COX2 assessed as PGE2 production by enzyme immunoassay

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50391889
PNG
(CHEMBL2147419)
Show SMILES COc1ccc(-c2cc3cc(CCCO)ccc3o2)c(O)c1
Show InChI InChI=1S/C18H18O4/c1-21-14-5-6-15(16(20)11-14)18-10-13-9-12(3-2-8-19)4-7-17(13)22-18/h4-7,9-11,19-20H,2-3,8H2,1H3
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University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of ram seminal vesicle COX1 assessed as PGE2 production by enzyme immunoassay

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50391884
PNG
(CHEMBL463574)
Show SMILES C\C=C\c1ccc2oc(c(C)c2c1)-c1ccc(O)cc1
Show InChI InChI=1S/C18H16O2/c1-3-4-13-5-10-17-16(11-13)12(2)18(20-17)14-6-8-15(19)9-7-14/h3-11,19H,1-2H3/b4-3+
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human neutrophils assessed as inhibition of LTB4 production

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50391890
PNG
(CHEMBL2147420)
Show SMILES C\C=C\c1ccc2oc(cc2c1)-c1ccc(O)cc1O
Show InChI InChI=1S/C17H14O3/c1-2-3-11-4-7-16-12(8-11)9-17(20-16)14-6-5-13(18)10-15(14)19/h2-10,18-19H,1H3/b3-2+
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human neutrophils assessed as inhibition of LTB4 production

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50391885
PNG
(CHEMBL2147417)
Show SMILES C[C@H]1[C@@H](C)[C@@H](O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C18H20O3/c1-11-12(2)18(14-5-9-16(20)10-6-14)21-17(11)13-3-7-15(19)8-4-13/h3-12,17-20H,1-2H3/t11-,12+,17-,18+
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of ram seminal vesicle COX1 assessed as PGE2 production by enzyme immunoassay

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50391885
PNG
(CHEMBL2147417)
Show SMILES C[C@H]1[C@@H](C)[C@@H](O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C18H20O3/c1-11-12(2)18(14-5-9-16(20)10-6-14)21-17(11)13-3-7-15(19)8-4-13/h3-12,17-20H,1-2H3/t11-,12+,17-,18+
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL-1beta treated human A549 cell microsomal membrane assessed as inhibition of PGE2 formation incubated for 15 mins before ad...

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50391886
PNG
(CHEMBL2147421)
Show SMILES C\C=C\c1ccc2O[C@H]([C@H](C)c2c1)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C18H18O2/c1-3-4-13-5-10-17-16(11-13)12(2)18(20-17)14-6-8-15(19)9-7-14/h3-12,18-19H,1-2H3/b4-3+/t12-,18-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of sheep placental COX2 assessed as PGE2 production by enzyme immunoassay

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50391882
PNG
(CHEMBL2147416)
Show SMILES C[C@H]1[C@@H](C)[C@H](O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C18H20O3/c1-11-12(2)18(14-5-9-16(20)10-6-14)21-17(11)13-3-7-15(19)8-4-13/h3-12,17-20H,1-2H3/t11-,12+,17-,18-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of sheep placental COX2 assessed as PGE2 production by enzyme immunoassay

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50391882
PNG
(CHEMBL2147416)
Show SMILES C[C@H]1[C@@H](C)[C@H](O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C18H20O3/c1-11-12(2)18(14-5-9-16(20)10-6-14)21-17(11)13-3-7-15(19)8-4-13/h3-12,17-20H,1-2H3/t11-,12+,17-,18-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human neutrophils assessed as inhibition of LTB4 production

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50099491
PNG
(2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...)
Show SMILES CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(O)=O
Show InChI InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33)
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n/an/an/an/a 0.600n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Activation of PPARalpha transfected in HEK293 cells after 18 hrs by firefly luciferase reporter gene-based luminescence assay relative to control

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50085045
PNG
(5-((4-((6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-...)
Show SMILES Cc1c(C)c2OC(C)(COc3ccc(Cc4sc(=O)[nH]c4O)cc3)CCc2c(C)c1O
Show InChI InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,26-27H,9-12H2,1-4H3,(H,25,28)
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n/an/an/an/a 400n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Activation of PPARgamma transfected in HEK293 cells after 18 hrs by firefly luciferase reporter gene-based luminescence assay relative to control

J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%