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PubMed code 23219856

Compile data set for download or QSAR
Found 7 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))		BDBM50424418
PNG
(CHEMBL2315740)
Show SMILES Clc1cccc(\C=C2/S\C(NC2=O)=N\c2nccs2)c1Cl
Show InChI InChI=1S/C13H7Cl2N3OS2/c14-8-3-1-2-7(10(8)15)6-9-11(19)17-13(21-9)18-12-16-4-5-20-12/h1-6H,(H,16,17,18,19)/b9-6-
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n/an/a 1.00E+4n/an/an/an/an/an/a



Department of Pharmaceutical Chemistry of Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a production by enzyme immunoassay

Bioorg Med Chem 21: 532-9 (2012)


Article DOI: 10.1016/j.bmc.2012.10.046
BindingDB Entry DOI: 10.7270/Q2H41SRD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50424416
PNG
(CHEMBL2315746)
Show SMILES Oc1cccc(\C=C2/S\C(NC2=O)=N\c2nccs2)c1
Show InChI InChI=1S/C13H9N3O2S2/c17-9-3-1-2-8(6-9)7-10-11(18)15-13(20-10)16-12-14-4-5-19-12/h1-7,17H,(H,14,15,16,18)/b10-7-
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n/an/a 1.60E+4n/an/an/an/an/an/a



Department of Pharmaceutical Chemistry of Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a production by enzyme immunoassay

Bioorg Med Chem 21: 532-9 (2012)


Article DOI: 10.1016/j.bmc.2012.10.046
BindingDB Entry DOI: 10.7270/Q2H41SRD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50424419
PNG
(CHEMBL2315739)
Show SMILES Clc1ccc(\C=C2/S\C(NC2=O)=N\c2nccs2)c(Cl)c1
Show InChI InChI=1S/C13H7Cl2N3OS2/c14-8-2-1-7(9(15)6-8)5-10-11(19)17-13(21-10)18-12-16-3-4-20-12/h1-6H,(H,16,17,18,19)/b10-5-
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n/an/a 3.20E+4n/an/an/an/an/an/a



Department of Pharmaceutical Chemistry of Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a production by enzyme immunoassay

Bioorg Med Chem 21: 532-9 (2012)


Article DOI: 10.1016/j.bmc.2012.10.046
BindingDB Entry DOI: 10.7270/Q2H41SRD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50339185
PNG
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)
Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O |r|
Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1
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n/an/a 4.90E+4n/an/an/an/an/an/a



Department of Pharmaceutical Chemistry of Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a production by enzyme immunoassay

Bioorg Med Chem 21: 532-9 (2012)


Article DOI: 10.1016/j.bmc.2012.10.046
BindingDB Entry DOI: 10.7270/Q2H41SRD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50424421
PNG
(CHEMBL2315732)
Show SMILES Cc1ccc(\C=C2/S\C(NC2=O)=N\c2nccs2)cc1
Show InChI InChI=1S/C14H11N3OS2/c1-9-2-4-10(5-3-9)8-11-12(18)16-14(20-11)17-13-15-6-7-19-13/h2-8H,1H3,(H,15,16,17,18)/b11-8-
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n/an/a 5.10E+4n/an/an/an/an/an/a



Department of Pharmaceutical Chemistry of Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a production by enzyme immunoassay

Bioorg Med Chem 21: 532-9 (2012)


Article DOI: 10.1016/j.bmc.2012.10.046
BindingDB Entry DOI: 10.7270/Q2H41SRD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50424417
PNG
(CHEMBL2315729)
Show SMILES Oc1ccc(Br)cc1\C=C1/S\C(NC1=O)=N\c1nccs1
Show InChI InChI=1S/C13H8BrN3O2S2/c14-8-1-2-9(18)7(5-8)6-10-11(19)16-13(21-10)17-12-15-3-4-20-12/h1-6,18H,(H,15,16,17,19)/b10-6-
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n/an/a 6.50E+4n/an/an/an/an/an/a



Department of Pharmaceutical Chemistry of Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a production by enzyme immunoassay

Bioorg Med Chem 21: 532-9 (2012)


Article DOI: 10.1016/j.bmc.2012.10.046
BindingDB Entry DOI: 10.7270/Q2H41SRD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50424420
PNG
(CHEMBL2315738)
Show SMILES Clc1cccc(Cl)c1\C=C1/S\C(NC1=O)=N\c1nccs1
Show InChI InChI=1S/C13H7Cl2N3OS2/c14-8-2-1-3-9(15)7(8)6-10-11(19)17-13(21-10)18-12-16-4-5-20-12/h1-6H,(H,16,17,18,19)/b10-6-
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n/an/a 7.80E+4n/an/an/an/an/an/a



Department of Pharmaceutical Chemistry of Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a production by enzyme immunoassay

Bioorg Med Chem 21: 532-9 (2012)


Article DOI: 10.1016/j.bmc.2012.10.046
BindingDB Entry DOI: 10.7270/Q2H41SRD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%