BindingDB logo
myBDB logout

PubMed code 12565941

Compile data set for download or QSAR
Found 27 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


(Mus musculus (Mouse))		BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
PubMed
n/an/a 26.2n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages

Bioorg Med Chem Lett 13: 413-7 (2003)


BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50422587
PNG
(CHEMBL423892)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=S)c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H15FO3S2/c1-28(24,25)17-12-8-15(9-13-17)21-20(14-6-10-16(23)11-7-14)22(27)18-4-2-3-5-19(18)26-21/h2-13H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 73.1n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages

Bioorg Med Chem Lett 13: 413-7 (2003)


BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50422584
PNG
(CHEMBL69026)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1ccccc1F |(6.09,-11.72,;6.07,-10.18,;5.68,-8.7,;7.4,-9.41,;4.74,-9.41,;4.74,-7.87,;3.41,-7.1,;2.08,-7.89,;2.08,-9.43,;3.41,-10.18,;.75,-7.12,;-.6,-7.89,;-1.93,-7.12,;-3.26,-7.89,;-4.59,-7.12,;-4.59,-5.58,;-3.26,-4.81,;-1.93,-5.58,;-.6,-4.79,;-.6,-3.25,;.75,-5.56,;2.08,-4.78,;3.41,-5.55,;4.74,-4.77,;4.72,-3.23,;3.37,-2.46,;2.05,-3.25,;.71,-2.48,)|
Show InChI InChI=1S/C22H15FO4S/c1-28(25,26)15-12-10-14(11-13-15)22-20(16-6-2-4-8-18(16)23)21(24)17-7-3-5-9-19(17)27-22/h2-13H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 76.1n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages

Bioorg Med Chem Lett 13: 413-7 (2003)


BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50422578
PNG
(CHEMBL422623)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=S)c1-c1ccccc1
Show InChI InChI=1S/C22H16O3S2/c1-27(23,24)17-13-11-16(12-14-17)21-20(15-7-3-2-4-8-15)22(26)18-9-5-6-10-19(18)25-21/h2-14H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 101n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages

Bioorg Med Chem Lett 13: 413-7 (2003)


BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50422570
PNG
(CHEMBL435189)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1ccccc1
Show InChI InChI=1S/C21H15NO4S/c22-27(24,25)16-12-10-15(11-13-16)21-19(14-6-2-1-3-7-14)20(23)17-8-4-5-9-18(17)26-21/h1-13H,(H2,22,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 105n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages

Bioorg Med Chem Lett 13: 413-7 (2003)


BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50422577
PNG
(CHEMBL133065)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1ccc(F)cc1
Show InChI InChI=1S/C21H14FNO4S/c22-15-9-5-13(6-10-15)19-20(24)17-3-1-2-4-18(17)27-21(19)14-7-11-16(12-8-14)28(23,25)26/h1-12H,(H2,23,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 126n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages

Bioorg Med Chem Lett 13: 413-7 (2003)


BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50422591
PNG
(CHEMBL133507)
Show SMILES COc1ccc(cc1)-c1c(oc2ccccc2c1=S)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C23H18O4S2/c1-26-17-11-7-15(8-12-17)21-22(16-9-13-18(14-10-16)29(2,24)25)27-20-6-4-3-5-19(20)23(21)28/h3-14H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 142n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages

Bioorg Med Chem Lett 13: 413-7 (2003)


BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50422586
PNG
(CHEMBL132721)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1ccccc1F |(11.98,-6.38,;10.62,-5.61,;9.85,-6.96,;11.41,-4.25,;9.27,-4.83,;7.93,-5.6,;6.6,-4.83,;6.6,-3.29,;7.94,-2.5,;9.27,-3.27,;5.27,-2.5,;3.93,-3.27,;2.6,-2.5,;1.27,-3.27,;-.06,-2.5,;-.06,-.98,;1.27,-.19,;2.6,-.96,;3.93,-.19,;3.93,1.35,;5.27,-.96,;6.6,-.19,;7.93,-.98,;9.27,-.21,;9.27,1.33,;7.92,2.1,;6.6,1.33,;5.26,2.1,)|
Show InChI InChI=1S/C21H14FNO4S/c22-17-7-3-1-5-15(17)19-20(24)16-6-2-4-8-18(16)27-21(19)13-9-11-14(12-10-13)28(23,25)26/h1-12H,(H2,23,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 177n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages

Bioorg Med Chem Lett 13: 413-7 (2003)


BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50422590
PNG
(CHEMBL132190)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=S)c1-c1ccccc1F |(11.98,-6.38,;10.62,-5.61,;9.85,-6.96,;11.41,-4.25,;9.27,-4.83,;9.27,-3.27,;7.94,-2.5,;6.6,-3.29,;6.6,-4.83,;7.93,-5.6,;5.27,-2.5,;3.93,-3.27,;2.6,-2.5,;1.27,-3.27,;-.06,-2.5,;-.06,-.98,;1.27,-.19,;2.6,-.96,;3.93,-.19,;3.93,1.35,;5.27,-.96,;6.6,-.19,;7.93,-.98,;9.27,-.21,;9.27,1.33,;7.92,2.1,;6.6,1.33,;5.26,2.1,)|
Show InChI InChI=1S/C22H15FO3S2/c1-28(24,25)15-12-10-14(11-13-15)21-20(16-6-2-4-8-18(16)23)22(27)17-7-3-5-9-19(17)26-21/h2-13H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 194n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages

Bioorg Med Chem Lett 13: 413-7 (2003)


BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50422589
PNG
(CHEMBL134512)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H15FO4S/c1-28(25,26)17-12-8-15(9-13-17)22-20(14-6-10-16(23)11-7-14)21(24)18-4-2-3-5-19(18)27-22/h2-13H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 202n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages

Bioorg Med Chem Lett 13: 413-7 (2003)


BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50422585
PNG
(CHEMBL134628)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H14Cl2O4S/c1-29(26,27)15-9-6-13(7-10-15)22-20(14-8-11-17(23)18(24)12-14)21(25)16-4-2-3-5-19(16)28-22/h2-12H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 269n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages

Bioorg Med Chem Lett 13: 413-7 (2003)


BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50422571
PNG
(CHEMBL132562)
Show SMILES CSc1ccc(cc1)-c1c(oc2ccccc2c1=O)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C22H17NO4S2/c1-28-16-10-6-14(7-11-16)20-21(24)18-4-2-3-5-19(18)27-22(20)15-8-12-17(13-9-15)29(23,25)26/h2-13H,1H3,(H2,23,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 283n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages

Bioorg Med Chem Lett 13: 413-7 (2003)


BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50422580
PNG
(CHEMBL334774)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1cc2ccccc2s1
Show InChI InChI=1S/C24H16O4S2/c1-30(26,27)17-12-10-15(11-13-17)24-22(21-14-16-6-2-5-9-20(16)29-21)23(25)18-7-3-4-8-19(18)28-24/h2-14H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 323n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages

Bioorg Med Chem Lett 13: 413-7 (2003)


BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50422572
PNG
(CHEMBL336206)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H15ClO4S/c1-28(25,26)17-12-8-15(9-13-17)22-20(14-6-10-16(23)11-7-14)21(24)18-4-2-3-5-19(18)27-22/h2-13H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 340n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages

Bioorg Med Chem Lett 13: 413-7 (2003)


BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50422576
PNG
(CHEMBL134756)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1ccc(Cl)cc1Cl |(12.27,-6.56,;10.92,-5.79,;11.7,-4.43,;10.13,-7.14,;9.57,-5,;9.57,-3.46,;8.22,-2.69,;6.89,-3.46,;6.89,-5,;8.22,-5.77,;5.56,-2.69,;4.21,-3.46,;2.89,-2.69,;1.56,-3.46,;.22,-2.69,;.22,-1.15,;1.56,-.38,;2.89,-1.15,;4.21,-.38,;4.21,1.16,;5.56,-1.15,;6.89,-.38,;8.22,-1.15,;9.55,-.38,;9.55,1.16,;10.9,1.93,;8.21,1.93,;6.89,1.16,;5.54,1.91,)|
Show InChI InChI=1S/C22H14Cl2O4S/c1-29(26,27)15-9-6-13(7-10-15)22-20(16-11-8-14(23)12-18(16)24)21(25)17-4-2-3-5-19(17)28-22/h2-12H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 359n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages

Bioorg Med Chem Lett 13: 413-7 (2003)


BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50422592
PNG
(CHEMBL133421)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1cccc(Cl)c1
Show InChI InChI=1S/C22H15ClO4S/c1-28(25,26)17-11-9-14(10-12-17)22-20(15-5-4-6-16(23)13-15)21(24)18-7-2-3-8-19(18)27-22/h2-13H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 365n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages

Bioorg Med Chem Lett 13: 413-7 (2003)


BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50422568
PNG
(CHEMBL335024)
Show SMILES COc1ccc(cc1)-c1c(oc2ccccc2c1=O)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C22H17NO5S/c1-27-16-10-6-14(7-11-16)20-21(24)18-4-2-3-5-19(18)28-22(20)15-8-12-17(13-9-15)29(23,25)26/h2-13H,1H3,(H2,23,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 392n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages

Bioorg Med Chem Lett 13: 413-7 (2003)


BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50422574
PNG
(CHEMBL133787)
Show SMILES COc1ccc(cc1)-c1c(oc2ccccc2c1=O)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C23H18O5S/c1-27-17-11-7-15(8-12-17)21-22(24)19-5-3-4-6-20(19)28-23(21)16-9-13-18(14-10-16)29(2,25)26/h3-14H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 516n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages

Bioorg Med Chem Lett 13: 413-7 (2003)


BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50422588
PNG
(CHEMBL133660)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=S)c1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H14Cl2O3S2/c1-29(25,26)15-9-6-13(7-10-15)21-20(14-8-11-17(23)18(24)12-14)22(28)16-4-2-3-5-19(16)27-21/h2-12H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 520n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages

Bioorg Med Chem Lett 13: 413-7 (2003)


BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50422573
PNG
(CHEMBL132371)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1cccc(F)c1
Show InChI InChI=1S/C22H15FO4S/c1-28(25,26)17-11-9-14(10-12-17)22-20(15-5-4-6-16(23)13-15)21(24)18-7-2-3-8-19(18)27-22/h2-13H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 532n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages

Bioorg Med Chem Lett 13: 413-7 (2003)


BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50422582
PNG
(CHEMBL334335)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1ccc2OCOc2c1
Show InChI InChI=1S/C22H15NO6S/c23-30(25,26)15-8-5-13(6-9-15)22-20(14-7-10-18-19(11-14)28-12-27-18)21(24)16-3-1-2-4-17(16)29-22/h1-11H,12H2,(H2,23,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 925n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages

Bioorg Med Chem Lett 13: 413-7 (2003)


BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50422575
PNG
(CHEMBL133659)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1ccccc1
Show InChI InChI=1S/C22H16O4S/c1-27(24,25)17-13-11-16(12-14-17)22-20(15-7-3-2-4-8-15)21(23)18-9-5-6-10-19(18)26-22/h2-14H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 929n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages

Bioorg Med Chem Lett 13: 413-7 (2003)


BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50422581
PNG
(CHEMBL336354)
Show SMILES Cc1ccccc1-c1c(oc2ccccc2c1=O)-c1ccc(cc1)S(C)(=O)=O |(5.55,1.91,;6.89,1.16,;8.21,1.93,;9.55,1.16,;9.55,-.38,;8.22,-1.15,;6.89,-.38,;5.56,-1.15,;5.56,-2.69,;4.21,-3.46,;2.89,-2.69,;1.56,-3.46,;.22,-2.69,;.22,-1.15,;1.56,-.38,;2.89,-1.15,;4.21,-.38,;4.21,1.16,;6.89,-3.46,;8.22,-2.69,;9.57,-3.46,;9.57,-5,;8.22,-5.77,;6.89,-5,;10.92,-5.79,;12.27,-6.56,;10.13,-7.14,;11.7,-4.43,)|
Show InChI InChI=1S/C23H18O4S/c1-15-7-3-4-8-18(15)21-22(24)19-9-5-6-10-20(19)27-23(21)16-11-13-17(14-12-16)28(2,25)26/h3-14H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 947n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages

Bioorg Med Chem Lett 13: 413-7 (2003)


BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50422579
PNG
(CHEMBL307981)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccc(F)cc2c(=O)c1-c1cccnc1
Show InChI InChI=1S/C21H14FNO4S/c1-28(25,26)16-7-4-13(5-8-16)21-19(14-3-2-10-23-12-14)20(24)17-11-15(22)6-9-18(17)27-21/h2-12H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.26E+3n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages

Bioorg Med Chem Lett 13: 413-7 (2003)


BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50422569
PNG
(CHEMBL72000)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1cccnc1
Show InChI InChI=1S/C21H15NO4S/c1-27(24,25)16-10-8-14(9-11-16)21-19(15-5-4-12-22-13-15)20(23)17-6-2-3-7-18(17)26-21/h2-13H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.32E+3n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages

Bioorg Med Chem Lett 13: 413-7 (2003)


BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50422567
PNG
(CHEMBL334520)
Show SMILES COc1ccc(cn1)-c1c(oc2ccccc2c1=O)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C22H17NO5S/c1-27-19-12-9-15(13-23-19)20-21(24)17-5-3-4-6-18(17)28-22(20)14-7-10-16(11-8-14)29(2,25)26/h3-13H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages

Bioorg Med Chem Lett 13: 413-7 (2003)


BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50422583
PNG
(CHEMBL134774)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1cccc2ccccc12 |(12.3,-6.58,;10.94,-5.8,;11.72,-4.44,;10.16,-7.15,;9.59,-5.01,;9.59,-3.47,;8.24,-2.7,;6.91,-3.47,;6.91,-5.01,;8.24,-5.78,;5.57,-2.7,;4.22,-3.47,;2.9,-2.7,;1.57,-3.47,;.22,-2.7,;.22,-1.15,;1.57,-.38,;2.9,-1.15,;4.22,-.38,;4.22,1.16,;5.57,-1.15,;6.91,-.38,;8.24,-1.15,;9.57,-.38,;9.57,1.16,;8.23,1.92,;8.21,3.45,;6.9,4.22,;5.56,3.44,;5.57,1.91,;6.91,1.16,)|
Show InChI InChI=1S/C26H18O4S/c1-31(28,29)19-15-13-18(14-16-19)26-24(25(27)22-10-4-5-12-23(22)30-26)21-11-6-8-17-7-2-3-9-20(17)21/h2-16H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 3.75E+3n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages

Bioorg Med Chem Lett 13: 413-7 (2003)


BindingDB Entry DOI: 10.7270/Q29Z973Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%