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PubMed code 15679320

Compile data set for download or QSAR
Found 12 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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n/an/a 100n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
Inhibition of COX1 from ram seminal vesicles by liquid scintillation counter

J Nat Prod 68: 69-73 (2005)


Article DOI: 10.1021/np040130b
BindingDB Entry DOI: 10.7270/Q2S1828J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50292595
PNG
(25-hydroxy-3alpha-acetoxylanost-8-en-21-oicacid 21...)
Show SMILES CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CCC3=C2CC[C@]2(C)[C@H](CC[C@@]32C)[C@@H](C\C=C\C(C)(C)O)C(=O)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C1(C)C |r,c:12|
Show InChI InChI=1S/C37H58O9/c1-21(38)45-28-15-17-35(6)24-14-19-36(7)23(13-18-37(36,8)25(24)11-12-27(35)34(28,4)5)22(10-9-16-33(2,3)43)31(42)46-32-30(41)29(40)26(39)20-44-32/h9,16,22-23,26-30,32,39-41,43H,10-15,17-20H2,1-8H3/b16-9+/t22-,23-,26-,27+,28-,29+,30-,32+,35-,36-,37+/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
Inhibition of sheep placental COX2 by liquid scintillation counter

J Nat Prod 68: 69-73 (2005)


Article DOI: 10.1021/np040130b
BindingDB Entry DOI: 10.7270/Q2S1828J
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 600n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
Inhibition of sheep placental COX2 by liquid scintillation counter

J Nat Prod 68: 69-73 (2005)


Article DOI: 10.1021/np040130b
BindingDB Entry DOI: 10.7270/Q2S1828J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50292592
PNG
(CHEMBL506367 | fomitoside F)
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@@H](-[#8]-[#6](-[#6])=O)C([#6])([#6])[#6@@H]1-[#6]-[#6]-3)-[#6](=O)-[#8]-[#6@@H]-1-[#8]-[#6]-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8] |r,c:12|
Show InChI InChI=1S/C37H58O8/c1-21(2)10-9-11-23(32(42)45-33-31(41)30(40)27(39)20-43-33)24-14-18-37(8)26-12-13-28-34(4,5)29(44-22(3)38)16-17-35(28,6)25(26)15-19-36(24,37)7/h10,23-24,27-31,33,39-41H,9,11-20H2,1-8H3/t23-,24-,27-,28+,29-,30+,31-,33+,35-,36-,37+/m1/s1
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n/an/a 1.13E+3n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
Inhibition of sheep placental COX2 by liquid scintillation counter

J Nat Prod 68: 69-73 (2005)


Article DOI: 10.1021/np040130b
BindingDB Entry DOI: 10.7270/Q2S1828J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50292591
PNG
(24S,25-dihydroxy-3-oxolanost-8-en-21-oic acid | CH...)
Show SMILES CC(C)(O)[C@@H](O)CC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(O)=O |r,c:14|
Show InChI InChI=1S/C30H48O5/c1-26(2)22-10-9-21-20(28(22,5)15-14-23(26)31)13-17-29(6)19(12-16-30(21,29)7)18(25(33)34)8-11-24(32)27(3,4)35/h18-19,22,24,32,35H,8-17H2,1-7H3,(H,33,34)/t18-,19-,22+,24+,28-,29-,30+/m1/s1
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n/an/a 1.15E+3n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
Inhibition of sheep placental COX2 by liquid scintillation counter

J Nat Prod 68: 69-73 (2005)


Article DOI: 10.1021/np040130b
BindingDB Entry DOI: 10.7270/Q2S1828J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50259818
PNG
(CHEMBL445461 | Fomitoside H)
Show SMILES [#6]-[#8]-[#6](=O)-[#6]C([#6])([#8])[#6]-[#6](=O)-[#8]-[#6@@H]1-[#6]-[#6][C@@]2([#6])[#6@@H](-[#6]-[#6]-[#6]3=[#6]2-[#6]-[#6][C@]2([#6])[#6@H](-[#6]-[#6][C@@]32[#6])-[#6@@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)-[#8]-[#6@@H]-2-[#8]-[#6]-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-2-[#8])C1([#6])[#6] |r,c:20|
Show InChI InChI=1S/C42H66O11/c1-24(2)11-10-12-25(36(48)53-37-35(47)34(46)29(43)23-51-37)26-15-19-42(8)28-13-14-30-38(3,4)31(52-33(45)22-39(5,49)21-32(44)50-9)17-18-40(30,6)27(28)16-20-41(26,42)7/h11,25-26,29-31,34-35,37,43,46-47,49H,10,12-23H2,1-9H3/t25-,26-,29-,30+,31-,34+,35-,37+,39?,40-,41-,42+/m1/s1
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n/an/a 7.39E+4n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
Inhibition of COX1 from ram seminal vesicles by liquid scintillation counter

J Nat Prod 68: 69-73 (2005)


Article DOI: 10.1021/np040130b
BindingDB Entry DOI: 10.7270/Q2S1828J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50292593
PNG
(3-oxolanosta-8,24-dien-21-oic acid 21-O-beta-D-xyl...)
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](=O)-[#8]-[#6@@H]-1-[#8]-[#6]-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8] |r,c:12|
Show InChI InChI=1S/C35H54O7/c1-20(2)9-8-10-21(30(40)42-31-29(39)28(38)25(36)19-41-31)22-13-17-35(7)24-11-12-26-32(3,4)27(37)15-16-33(26,5)23(24)14-18-34(22,35)6/h9,21-22,25-26,28-29,31,36,38-39H,8,10-19H2,1-7H3/t21-,22-,25-,26+,28+,29-,31+,33-,34-,35+/m1/s1
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n/an/a 1.91E+6n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
Inhibition of COX1 from ram seminal vesicles by liquid scintillation counter

J Nat Prod 68: 69-73 (2005)


Article DOI: 10.1021/np040130b
BindingDB Entry DOI: 10.7270/Q2S1828J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50292594
PNG
(3-oxolanosta-8,24(31)-dien-21-oic acid 21-O-beta-D...)
Show SMILES CC(C)C(=C)CC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(=O)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O |r,c:13|
Show InChI InChI=1S/C36H56O7/c1-20(2)21(3)9-10-22(31(41)43-32-30(40)29(39)26(37)19-42-32)23-13-17-36(8)25-11-12-27-33(4,5)28(38)15-16-34(27,6)24(25)14-18-35(23,36)7/h20,22-23,26-27,29-30,32,37,39-40H,3,9-19H2,1-2,4-8H3/t22-,23-,26-,27+,29+,30-,32+,34-,35-,36+/m1/s1
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n/an/a 2.39E+6n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
Inhibition of sheep placental COX2 by liquid scintillation counter

J Nat Prod 68: 69-73 (2005)


Article DOI: 10.1021/np040130b
BindingDB Entry DOI: 10.7270/Q2S1828J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50292594
PNG
(3-oxolanosta-8,24(31)-dien-21-oic acid 21-O-beta-D...)
Show SMILES CC(C)C(=C)CC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(=O)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O |r,c:13|
Show InChI InChI=1S/C36H56O7/c1-20(2)21(3)9-10-22(31(41)43-32-30(40)29(39)26(37)19-42-32)23-13-17-36(8)25-11-12-27-33(4,5)28(38)15-16-34(27,6)24(25)14-18-35(23,36)7/h20,22-23,26-27,29-30,32,37,39-40H,3,9-19H2,1-2,4-8H3/t22-,23-,26-,27+,29+,30-,32+,34-,35-,36+/m1/s1
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n/an/a 3.33E+6n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
Inhibition of COX1 from ram seminal vesicles by liquid scintillation counter

J Nat Prod 68: 69-73 (2005)


Article DOI: 10.1021/np040130b
BindingDB Entry DOI: 10.7270/Q2S1828J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50292593
PNG
(3-oxolanosta-8,24-dien-21-oic acid 21-O-beta-D-xyl...)
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](=O)-[#8]-[#6@@H]-1-[#8]-[#6]-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8] |r,c:12|
Show InChI InChI=1S/C35H54O7/c1-20(2)9-8-10-21(30(40)42-31-29(39)28(38)25(36)19-41-31)22-13-17-35(7)24-11-12-26-32(3,4)27(37)15-16-33(26,5)23(24)14-18-34(22,35)6/h9,21-22,25-26,28-29,31,36,38-39H,8,10-19H2,1-7H3/t21-,22-,25-,26+,28+,29-,31+,33-,34-,35+/m1/s1
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n/an/a 5.11E+6n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
Inhibition of sheep placental COX2 by liquid scintillation counter

J Nat Prod 68: 69-73 (2005)


Article DOI: 10.1021/np040130b
BindingDB Entry DOI: 10.7270/Q2S1828J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
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n/an/a 1.88E+7n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
Inhibition of COX1 from ram seminal vesicles by liquid scintillation counter

J Nat Prod 68: 69-73 (2005)


Article DOI: 10.1021/np040130b
BindingDB Entry DOI: 10.7270/Q2S1828J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
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n/an/a 4.97E+7n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
Inhibition of sheep placental COX2 by liquid scintillation counter

J Nat Prod 68: 69-73 (2005)


Article DOI: 10.1021/np040130b
BindingDB Entry DOI: 10.7270/Q2S1828J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%