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6 similar compounds to monomer 50355036

Compile data set for download or QSAR
Wt: 397.3
BDBM50057555
Wt: 425.3
BDBM50355028
Wt: 439.4
BDBM50355029
Wt: 439.4
BDBM50355031
Wt: 438.4
BDBM50355033
Wt: 442.3
BDBM50355034

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50057555,50355028,50355029,50355031,50355033,50355034   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50057555
PNG
(4-[5-(2-Methoxy-phenyl)-3-trifluoromethyl-pyrazol-...)
Show SMILES COc1ccccc1-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O3S/c1-26-15-5-3-2-4-13(15)14-10-16(17(18,19)20)22-23(14)11-6-8-12(9-7-11)27(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required to block recombinant human prostaglandin G/H synthase 1 (COX-1)


J Med Chem 40: 1347-65 (1997)


Article DOI: 10.1021/jm960803q
BindingDB Entry DOI: 10.7270/Q2Z89BHB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50057555
PNG
(4-[5-(2-Methoxy-phenyl)-3-trifluoromethyl-pyrazol-...)
Show SMILES COc1ccccc1-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O3S/c1-26-15-5-3-2-4-13(15)14-10-16(17(18,19)20)22-23(14)11-6-8-12(9-7-11)27(21,24)25/h2-10H,1H3,(H2,21,24,25)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)


J Med Chem 45: 4816-27 (2002)


Article DOI: 10.1021/jm020089e
BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50057555
PNG
(4-[5-(2-Methoxy-phenyl)-3-trifluoromethyl-pyrazol-...)
Show SMILES COc1ccccc1-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O3S/c1-26-15-5-3-2-4-13(15)14-10-16(17(18,19)20)22-23(14)11-6-8-12(9-7-11)27(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 290n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human prostaglandin G/H synthase 2 at 25 degrees.


Bioorg Med Chem Lett 12: 267-70 (2002)


Article DOI: 10.1016/s0960-894x(01)00825-3
BindingDB Entry DOI: 10.7270/Q2Q23ZJQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50355028
PNG
(CHEMBL1835472)
Show SMILES CC(=O)Oc1ccccc1-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H14F3N3O4S/c1-11(25)28-16-5-3-2-4-14(16)15-10-17(18(19,20)21)23-24(15)12-6-8-13(9-7-12)29(22,26)27/h2-10H,1H3,(H2,22,26,27)
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University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem Lett 21: 6074-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.053
BindingDB Entry DOI: 10.7270/Q2NK3FD8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50355029
PNG
(CHEMBL1835474)
Show SMILES CC(=O)Oc1cc(C)ccc1-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C19H16F3N3O4S/c1-11-3-8-15(17(9-11)29-12(2)26)16-10-18(19(20,21)22)24-25(16)13-4-6-14(7-5-13)30(23,27)28/h3-10H,1-2H3,(H2,23,27,28)
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University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem Lett 21: 6074-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.053
BindingDB Entry DOI: 10.7270/Q2NK3FD8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50355031
PNG
(CHEMBL1835476)
Show SMILES CC(=O)Oc1cc(ccc1C)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C19H16F3N3O4S/c1-11-3-4-13(9-17(11)29-12(2)26)16-10-18(19(20,21)22)24-25(16)14-5-7-15(8-6-14)30(23,27)28/h3-10H,1-2H3,(H2,23,27,28)
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University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem Lett 21: 6074-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.053
BindingDB Entry DOI: 10.7270/Q2NK3FD8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50355033
PNG
(CHEMBL1835481)
Show SMILES CC(=O)Oc1cc(C)ccc1-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C20H17F3N2O4S/c1-12-4-9-16(18(10-12)29-13(2)26)17-11-19(20(21,22)23)24-25(17)14-5-7-15(8-6-14)30(3,27)28/h4-11H,1-3H3
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University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem Lett 21: 6074-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.053
BindingDB Entry DOI: 10.7270/Q2NK3FD8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50355034
PNG
(CHEMBL1835483)
Show SMILES CC(=O)Oc1cc(F)ccc1-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C19H14F4N2O4S/c1-11(26)29-17-9-12(20)3-8-15(17)16-10-18(19(21,22)23)24-25(16)13-4-6-14(7-5-13)30(2,27)28/h3-10H,1-2H3
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University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem Lett 21: 6074-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.053
BindingDB Entry DOI: 10.7270/Q2NK3FD8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50355028
PNG
(CHEMBL1835472)
Show SMILES CC(=O)Oc1ccccc1-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H14F3N3O4S/c1-11(25)28-16-5-3-2-4-14(16)15-10-17(18(19,20)21)23-24(15)12-6-8-13(9-7-12)29(22,26)27/h2-10H,1H3,(H2,22,26,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem Lett 21: 6074-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.053
BindingDB Entry DOI: 10.7270/Q2NK3FD8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50355029
PNG
(CHEMBL1835474)
Show SMILES CC(=O)Oc1cc(C)ccc1-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C19H16F3N3O4S/c1-11-3-8-15(17(9-11)29-12(2)26)16-10-18(19(20,21)22)24-25(16)13-4-6-14(7-5-13)30(23,27)28/h3-10H,1-2H3,(H2,23,27,28)
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem Lett 21: 6074-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.053
BindingDB Entry DOI: 10.7270/Q2NK3FD8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50355031
PNG
(CHEMBL1835476)
Show SMILES CC(=O)Oc1cc(ccc1C)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C19H16F3N3O4S/c1-11-3-4-13(9-17(11)29-12(2)26)16-10-18(19(20,21)22)24-25(16)14-5-7-15(8-6-14)30(23,27)28/h3-10H,1-2H3,(H2,23,27,28)
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n/an/a 7.30E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem Lett 21: 6074-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.053
BindingDB Entry DOI: 10.7270/Q2NK3FD8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50355033
PNG
(CHEMBL1835481)
Show SMILES CC(=O)Oc1cc(C)ccc1-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C20H17F3N2O4S/c1-12-4-9-16(18(10-12)29-13(2)26)17-11-19(20(21,22)23)24-25(17)14-5-7-15(8-6-14)30(3,27)28/h4-11H,1-3H3
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n/an/a 7.50E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem Lett 21: 6074-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.053
BindingDB Entry DOI: 10.7270/Q2NK3FD8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50355034
PNG
(CHEMBL1835483)
Show SMILES CC(=O)Oc1cc(F)ccc1-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C19H14F4N2O4S/c1-11(26)29-17-9-12(20)3-8-15(17)16-10-18(19(21,22)23)24-25(16)13-4-6-14(7-5-13)30(2,27)28/h3-10H,1-2H3
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n/an/a 1.87E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem Lett 21: 6074-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.053
BindingDB Entry DOI: 10.7270/Q2NK3FD8
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50057555
PNG
(4-[5-(2-Methoxy-phenyl)-3-trifluoromethyl-pyrazol-...)
Show SMILES COc1ccccc1-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O3S/c1-26-15-5-3-2-4-13(15)14-10-16(17(18,19)20)22-23(14)11-6-8-12(9-7-11)27(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 288n/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of human Prostaglandin G/H synthase 2


J Med Chem 44: 3223-30 (2001)


Article DOI: 10.1021/jm0101343
BindingDB Entry DOI: 10.7270/Q2736S4D
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50057555
PNG
(4-[5-(2-Methoxy-phenyl)-3-trifluoromethyl-pyrazol-...)
Show SMILES COc1ccccc1-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O3S/c1-26-15-5-3-2-4-13(15)14-10-16(17(18,19)20)22-23(14)11-6-8-12(9-7-11)27(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 288n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)


J Med Chem 45: 4816-27 (2002)


Article DOI: 10.1021/jm020089e
BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50057555
PNG
(4-[5-(2-Methoxy-phenyl)-3-trifluoromethyl-pyrazol-...)
Show SMILES COc1ccccc1-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O3S/c1-26-15-5-3-2-4-13(15)14-10-16(17(18,19)20)22-23(14)11-6-8-12(9-7-11)27(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 290n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required to block human recombinant prostaglandin G/H synthase 2 (COX-2)


J Med Chem 40: 1347-65 (1997)


Article DOI: 10.1021/jm960803q
BindingDB Entry DOI: 10.7270/Q2Z89BHB
More data for this
Ligand-Target Pair