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Compile Data Set for Download or QSAR

Found 363 hits with Last Name = 'anderson' and Initial = 'gd'   
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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50314073
PNG
(3-(3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-2-ox...)
Show SMILES CNC(=O)c1ccc(C)c(c1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O |(29.32,-4.45,;29.32,-2.91,;27.99,-2.14,;26.65,-2.91,;27.99,-.6,;29.32,.17,;29.31,1.72,;27.98,2.48,;27.97,4.02,;26.66,1.71,;26.65,.17,;25.32,2.48,;25.32,4.03,;26.65,4.8,;23.98,4.79,;22.65,4.02,;21.32,4.79,;19.99,4.02,;18.65,4.79,;18.65,6.33,;17.32,7.1,;16,6.33,;14.66,7.1,;15.99,4.78,;17.32,4.02,;17.33,2.48,;22.65,2.48,;21.32,1.71,;23.99,1.71,;23.99,.17,)|
Show InChI InChI=1S/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28)
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2.90n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha kinase


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase p38


(Homo sapiens (Human))
BDBM50346920
PNG
(CHEMBL1795686)
Show SMILES CCc1c(OCc2ccc(F)cc2F)ncn(-c2cc(ccc2C)C(=O)NCCO)c1=O
Show InChI InChI=1S/C23H23F2N3O4/c1-3-18-22(32-12-16-6-7-17(24)11-19(16)25)27-13-28(23(18)31)20-10-15(5-4-14(20)2)21(30)26-8-9-29/h4-7,10-11,13,29H,3,8-9,12H2,1-2H3,(H,26,30)
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6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38beta kinase


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human))
BDBM50346919
PNG
(CHEMBL1795685)
Show SMILES Cc1ccc(cc1-n1cnc(OCc2ccc(F)cc2F)c(C)c1=O)C(=O)NCCO
Show InChI InChI=1S/C22H21F2N3O4/c1-13-3-4-15(20(29)25-7-8-28)9-19(13)27-12-26-21(14(2)22(27)30)31-11-16-5-6-17(23)10-18(16)24/h3-6,9-10,12,28H,7-8,11H2,1-2H3,(H,25,29)
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17n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38beta kinase


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human))
BDBM50314073
PNG
(3-(3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-2-ox...)
Show SMILES CNC(=O)c1ccc(C)c(c1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O |(29.32,-4.45,;29.32,-2.91,;27.99,-2.14,;26.65,-2.91,;27.99,-.6,;29.32,.17,;29.31,1.72,;27.98,2.48,;27.97,4.02,;26.66,1.71,;26.65,.17,;25.32,2.48,;25.32,4.03,;26.65,4.8,;23.98,4.79,;22.65,4.02,;21.32,4.79,;19.99,4.02,;18.65,4.79,;18.65,6.33,;17.32,7.1,;16,6.33,;14.66,7.1,;15.99,4.78,;17.32,4.02,;17.33,2.48,;22.65,2.48,;21.32,1.71,;23.99,1.71,;23.99,.17,)|
Show InChI InChI=1S/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28)
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40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38beta kinase


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50346918
PNG
(CHEMBL1738710)
Show SMILES Cc1ccc(cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O)C(=O)NCCO
Show InChI InChI=1S/C21H18ClF2N3O4/c1-12-2-3-13(19(29)25-6-7-28)8-17(12)27-11-26-20(18(22)21(27)30)31-10-14-4-5-15(23)9-16(14)24/h2-5,8-9,11,28H,6-7,10H2,1H3,(H,25,29)
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193n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha kinase


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50314073
PNG
(3-(3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-2-ox...)
Show SMILES CNC(=O)c1ccc(C)c(c1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O |(29.32,-4.45,;29.32,-2.91,;27.99,-2.14,;26.65,-2.91,;27.99,-.6,;29.32,.17,;29.31,1.72,;27.98,2.48,;27.97,4.02,;26.66,1.71,;26.65,.17,;25.32,2.48,;25.32,4.03,;26.65,4.8,;23.98,4.79,;22.65,4.02,;21.32,4.79,;19.99,4.02,;18.65,4.79,;18.65,6.33,;17.32,7.1,;16,6.33,;14.66,7.1,;15.99,4.78,;17.32,4.02,;17.33,2.48,;22.65,2.48,;21.32,1.71,;23.99,1.71,;23.99,.17,)|
Show InChI InChI=1S/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28)
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>4.00E+5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50029613
PNG
(1-Methoxy-4-(2-(4-(methanesulfonyl)phenyl)cyclopen...)
Show SMILES COc1ccc(cc1)C1=C(CCC1)c1ccc(cc1)S(C)(=O)=O |t:9|
Show InChI InChI=1S/C19H20O3S/c1-22-16-10-6-14(7-11-16)18-4-3-5-19(18)15-8-12-17(13-9-15)23(2,20)21/h6-13H,3-5H2,1-2H3
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n/an/a 0.5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 (COX-2).


J Med Chem 38: 4570-8 (1995)


BindingDB Entry DOI: 10.7270/Q23N22D2
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049042
PNG
(4-[6-(4-Trifluoromethyl-phenyl)-spiro[2.4]hept-5-e...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1=C(CC2(CC2)C1)c1ccc(cc1)C(F)(F)F |t:11|
Show InChI InChI=1S/C20H18F3NO2S/c21-20(22,23)15-5-1-13(2-6-15)17-11-19(9-10-19)12-18(17)14-3-7-16(8-4-14)27(24,25)26/h1-8H,9-12H2,(H2,24,25,26)
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n/an/a 1n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against prostaglandin G/H synthase 2 (COX-2).


J Med Chem 39: 253-66 (1996)


Article DOI: 10.1021/jm950664x
BindingDB Entry DOI: 10.7270/Q2XG9Q6M
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049038
PNG
(5-(4-Chloro-phenyl)-6-(4-methanesulfonyl-phenyl)-s...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(CC2(CC2)C1)c1ccc(Cl)cc1 |t:11|
Show InChI InChI=1S/C20H19ClO2S/c1-24(22,23)17-8-4-15(5-9-17)19-13-20(10-11-20)12-18(19)14-2-6-16(21)7-3-14/h2-9H,10-13H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against prostaglandin G/H synthase 2 (COX-2).


J Med Chem 39: 253-66 (1996)


Article DOI: 10.1021/jm950664x
BindingDB Entry DOI: 10.7270/Q2XG9Q6M
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049025
PNG
(4-[6-(4-Methoxy-phenyl)-spiro[2.4]hept-5-en-5-yl]-...)
Show SMILES COc1ccc(cc1)C1=C(CC2(CC2)C1)c1ccc(cc1)S(N)(=O)=O |t:9|
Show InChI InChI=1S/C20H21NO3S/c1-24-16-6-2-14(3-7-16)18-12-20(10-11-20)13-19(18)15-4-8-17(9-5-15)25(21,22)23/h2-9H,10-13H2,1H3,(H2,21,22,23)
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n/an/a 1n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against prostaglandin G/H synthase 2 (COX-2).


J Med Chem 39: 253-66 (1996)


Article DOI: 10.1021/jm950664x
BindingDB Entry DOI: 10.7270/Q2XG9Q6M
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049014
PNG
(4-[6-(4-Chloro-phenyl)-spiro[2.4]hept-5-en-5-yl]-b...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1=C(CC2(CC2)C1)c1ccc(Cl)cc1 |t:11|
Show InChI InChI=1S/C19H18ClNO2S/c20-15-5-1-13(2-6-15)17-11-19(9-10-19)12-18(17)14-3-7-16(8-4-14)24(21,22)23/h1-8H,9-12H2,(H2,21,22,23)
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n/an/a 1n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against prostaglandin G/H synthase 2 (COX-2).


J Med Chem 39: 253-66 (1996)


Article DOI: 10.1021/jm950664x
BindingDB Entry DOI: 10.7270/Q2XG9Q6M
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049011
PNG
(4-[6-(3,4-Dichloro-phenyl)-spiro[2.4]hept-5-en-5-y...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1=C(CC2(CC2)C1)c1ccc(Cl)c(Cl)c1 |t:11|
Show InChI InChI=1S/C19H17Cl2NO2S/c20-17-6-3-13(9-18(17)21)16-11-19(7-8-19)10-15(16)12-1-4-14(5-2-12)25(22,23)24/h1-6,9H,7-8,10-11H2,(H2,22,23,24)
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n/an/a 1n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against prostaglandin G/H synthase 2 (COX-2).


J Med Chem 39: 253-66 (1996)


Article DOI: 10.1021/jm950664x
BindingDB Entry DOI: 10.7270/Q2XG9Q6M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50314073
PNG
(3-(3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-2-ox...)
Show SMILES CNC(=O)c1ccc(C)c(c1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O |(29.32,-4.45,;29.32,-2.91,;27.99,-2.14,;26.65,-2.91,;27.99,-.6,;29.32,.17,;29.31,1.72,;27.98,2.48,;27.97,4.02,;26.66,1.71,;26.65,.17,;25.32,2.48,;25.32,4.03,;26.65,4.8,;23.98,4.79,;22.65,4.02,;21.32,4.79,;19.99,4.02,;18.65,4.79,;18.65,6.33,;17.32,7.1,;16,6.33,;14.66,7.1,;15.99,4.78,;17.32,4.02,;17.33,2.48,;22.65,2.48,;21.32,1.71,;23.99,1.71,;23.99,.17,)|
Show InChI InChI=1S/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28)
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n/an/a 1.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha kinase-dependent HSP-27 phosphorylation in human U937 cells


Bioorg Med Chem Lett 21: 3856-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.006
BindingDB Entry DOI: 10.7270/Q2G73F2S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049033
PNG
(4-[6-(3-Chloro-4-fluoro-phenyl)-spiro[2.4]hept-5-e...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1=C(CC2(CC2)C1)c1ccc(F)c(Cl)c1 |t:11|
Show InChI InChI=1S/C19H17ClFNO2S/c20-17-9-13(3-6-18(17)21)16-11-19(7-8-19)10-15(16)12-1-4-14(5-2-12)25(22,23)24/h1-6,9H,7-8,10-11H2,(H2,22,23,24)
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n/an/a 1.5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against prostaglandin G/H synthase 2 (COX-2).


J Med Chem 39: 253-66 (1996)


Article DOI: 10.1021/jm950664x
BindingDB Entry DOI: 10.7270/Q2XG9Q6M
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049030
PNG
(5-(4-Methanesulfonyl-phenyl)-6-p-tolyl-spiro[2.4]h...)
Show SMILES Cc1ccc(cc1)C1=C(CC2(CC2)C1)c1ccc(cc1)S(C)(=O)=O |t:8|
Show InChI InChI=1S/C21H22O2S/c1-15-3-5-16(6-4-15)19-13-21(11-12-21)14-20(19)17-7-9-18(10-8-17)24(2,22)23/h3-10H,11-14H2,1-2H3
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n/an/a 1.5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against prostaglandin G/H synthase 2 (COX-2).


J Med Chem 39: 253-66 (1996)


Article DOI: 10.1021/jm950664x
BindingDB Entry DOI: 10.7270/Q2XG9Q6M
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50286742
PNG
(4-[7-(4-Fluoro-phenyl)-spiro[3.4]oct-6-en-6-yl]-be...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1=C(CC2(CCC2)C1)c1ccc(F)cc1 |t:11|
Show InChI InChI=1S/C20H20FNO2S/c21-16-6-2-14(3-7-16)18-12-20(10-1-11-20)13-19(18)15-4-8-17(9-5-15)25(22,23)24/h2-9H,1,10-13H2,(H2,22,23,24)
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for the inhibitory activity against inducible form of human recombinant Prostaglandin G/H synthase 1


Bioorg Med Chem Lett 5: 867-872 (1995)


Article DOI: 10.1016/0960-894X(95)00131-C
BindingDB Entry DOI: 10.7270/Q2P26Z3Q
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049619
PNG
(3-Chloro-4,4',5'-trifluoro-[1,1';2',1'']terphenyl-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H11ClF3NO2S/c19-15-7-11(3-6-16(15)20)14-9-18(22)17(21)8-13(14)10-1-4-12(5-2-10)26(23,24)25/h1-9H,(H2,23,24,25)
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n/an/a 2n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049644
PNG
(4,4',5'-Trifluoro-3-methyl-[1,1';2',1'']terphenyl-...)
Show SMILES Cc1cc(ccc1F)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H14F3NO2S/c1-11-8-13(4-7-17(11)20)16-10-19(22)18(21)9-15(16)12-2-5-14(6-3-12)26(23,24)25/h2-10H,1H3,(H2,23,24,25)
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n/an/a 2n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049029
PNG
(4-[6-(3-Chloro-4-methoxy-phenyl)-spiro[2.4]hept-5-...)
Show SMILES COc1ccc(cc1Cl)C1=C(CC2(CC2)C1)c1ccc(cc1)S(N)(=O)=O |t:10|
Show InChI InChI=1S/C20H20ClNO3S/c1-25-19-7-4-14(10-18(19)21)17-12-20(8-9-20)11-16(17)13-2-5-15(6-3-13)26(22,23)24/h2-7,10H,8-9,11-12H2,1H3,(H2,22,23,24)
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Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against prostaglandin G/H synthase 2 (COX-2).


J Med Chem 39: 253-66 (1996)


Article DOI: 10.1021/jm950664x
BindingDB Entry DOI: 10.7270/Q2XG9Q6M
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049023
PNG
(4-[6-(3-Fluoro-4-methoxy-phenyl)-spiro[2.4]hept-5-...)
Show SMILES COc1ccc(cc1F)C1=C(CC2(CC2)C1)c1ccc(cc1)S(N)(=O)=O |t:10|
Show InChI InChI=1S/C20H20FNO3S/c1-25-19-7-4-14(10-18(19)21)17-12-20(8-9-20)11-16(17)13-2-5-15(6-3-13)26(22,23)24/h2-7,10H,8-9,11-12H2,1H3,(H2,22,23,24)
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Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against prostaglandin G/H synthase 2 (COX-2).


J Med Chem 39: 253-66 (1996)


Article DOI: 10.1021/jm950664x
BindingDB Entry DOI: 10.7270/Q2XG9Q6M
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049040
PNG
(4-[6-(3-Bromo-4-methoxy-phenyl)-spiro[2.4]hept-5-e...)
Show SMILES COc1ccc(cc1Br)C1=C(CC2(CC2)C1)c1ccc(cc1)S(N)(=O)=O |t:10|
Show InChI InChI=1S/C20H20BrNO3S/c1-25-19-7-4-14(10-18(19)21)17-12-20(8-9-20)11-16(17)13-2-5-15(6-3-13)26(22,23)24/h2-7,10H,8-9,11-12H2,1H3,(H2,22,23,24)
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Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against prostaglandin G/H synthase 2 (COX-2).


J Med Chem 39: 253-66 (1996)


Article DOI: 10.1021/jm950664x
BindingDB Entry DOI: 10.7270/Q2XG9Q6M
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049037
PNG
(5-(4-Methanesulfonyl-phenyl)-6-(4-trifluoromethyl-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(CC2(CC2)C1)c1ccc(cc1)C(F)(F)F |t:11|
Show InChI InChI=1S/C21H19F3O2S/c1-27(25,26)17-8-4-15(5-9-17)19-13-20(10-11-20)12-18(19)14-2-6-16(7-3-14)21(22,23)24/h2-9H,10-13H2,1H3
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Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against prostaglandin G/H synthase 2 (COX-2).


J Med Chem 39: 253-66 (1996)


Article DOI: 10.1021/jm950664x
BindingDB Entry DOI: 10.7270/Q2XG9Q6M
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50029624
PNG
(4-[2-(3-Chloro-4-dimethylamino-phenyl)-cyclopent-1...)
Show SMILES CN(C)c1ccc(cc1Cl)C1=C(CCC1)c1ccc(cc1)S(N)(=O)=O |t:11|
Show InChI InChI=1S/C19H21ClN2O2S/c1-22(2)19-11-8-14(12-18(19)20)17-5-3-4-16(17)13-6-9-15(10-7-13)25(21,23)24/h6-12H,3-5H2,1-2H3,(H2,21,23,24)
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Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 (COX-2).


J Med Chem 38: 4570-8 (1995)


BindingDB Entry DOI: 10.7270/Q23N22D2
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50029595
PNG
(4-[2-(3,4-Dichloro-phenyl)-cyclopent-1-enyl]-benze...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1=C(CCC1)c1ccc(Cl)c(Cl)c1 |t:11|
Show InChI InChI=1S/C17H15Cl2NO2S/c18-16-9-6-12(10-17(16)19)15-3-1-2-14(15)11-4-7-13(8-5-11)23(20,21)22/h4-10H,1-3H2,(H2,20,21,22)
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Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 (COX-2).


J Med Chem 38: 4570-8 (1995)


BindingDB Entry DOI: 10.7270/Q23N22D2
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50029618
PNG
(4-(2-(4-methoxyphenyl)cyclopent-1-enyl)benzenesulf...)
Show SMILES COc1ccc(cc1)C1=C(CCC1)c1ccc(cc1)S(N)(=O)=O |t:9|
Show InChI InChI=1S/C18H19NO3S/c1-22-15-9-5-13(6-10-15)17-3-2-4-18(17)14-7-11-16(12-8-14)23(19,20)21/h5-12H,2-4H2,1H3,(H2,19,20,21)
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Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 (COX-2).


J Med Chem 38: 4570-8 (1995)


BindingDB Entry DOI: 10.7270/Q23N22D2
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50029596
PNG
(4-(2-Benzo[1,3]dioxol-5-yl-cyclopent-1-enyl)-benze...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1=C(CCC1)c1ccc2OCOc2c1 |t:11|
Show InChI InChI=1S/C18H17NO4S/c19-24(20,21)14-7-4-12(5-8-14)15-2-1-3-16(15)13-6-9-17-18(10-13)23-11-22-17/h4-10H,1-3,11H2,(H2,19,20,21)
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Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 (COX-2).


J Med Chem 38: 4570-8 (1995)


BindingDB Entry DOI: 10.7270/Q23N22D2
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049028
PNG
(5-[6-(4-Methanesulfonyl-phenyl)-spiro[2.4]hept-5-e...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(CC2(CC2)C1)c1ccc2OCOc2c1 |t:11|
Show InChI InChI=1S/C21H20O4S/c1-26(22,23)16-5-2-14(3-6-16)17-11-21(8-9-21)12-18(17)15-4-7-19-20(10-15)25-13-24-19/h2-7,10H,8-9,11-13H2,1H3
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n/an/a 2.5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against prostaglandin G/H synthase 2 (COX-2).


J Med Chem 39: 253-66 (1996)


Article DOI: 10.1021/jm950664x
BindingDB Entry DOI: 10.7270/Q2XG9Q6M
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50029614
PNG
((SC-57666)1-[2-(4-fluorophenyl)-1-cyclopentenyl]-4...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(CCC1)c1ccc(F)cc1 |t:11|
Show InChI InChI=1S/C18H17FO2S/c1-22(20,21)16-11-7-14(8-12-16)18-4-2-3-17(18)13-5-9-15(19)10-6-13/h5-12H,2-4H2,1H3
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n/an/a 2.60n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against prostaglandin G/H synthase 2 (COX-2).


J Med Chem 39: 253-66 (1996)


Article DOI: 10.1021/jm950664x
BindingDB Entry DOI: 10.7270/Q2XG9Q6M
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049026
PNG
(5-(4-Fluoro-phenyl)-6-(4-methanesulfonyl-phenyl)-s...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=CC2(CC2)C=C1c1ccc(F)cc1 |c:17,t:11|
Show InChI InChI=1S/C20H17FO2S/c1-24(22,23)17-8-4-15(5-9-17)19-13-20(10-11-20)12-18(19)14-2-6-16(21)7-3-14/h2-9,12-13H,10-11H2,1H3
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Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against prostaglandin G/H synthase 2 (COX-2).


J Med Chem 39: 253-66 (1996)


Article DOI: 10.1021/jm950664x
BindingDB Entry DOI: 10.7270/Q2XG9Q6M
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049625
PNG
(3-Chloro-4',5'-difluoro-4-methyl-[1,1';2',1'']terp...)
Show SMILES Cc1ccc(cc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H14ClF2NO2S/c1-11-2-3-13(8-17(11)20)16-10-19(22)18(21)9-15(16)12-4-6-14(7-5-12)26(23,24)25/h2-10H,1H3,(H2,23,24,25)
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Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049024
PNG
(4-[6-(4-Fluoro-phenyl)-spiro[2.4]hept-5-en-5-yl]-b...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1=C(CC2(CC2)C1)c1ccc(F)cc1 |t:11|
Show InChI InChI=1S/C19H18FNO2S/c20-15-5-1-13(2-6-15)17-11-19(9-10-19)12-18(17)14-3-7-16(8-4-14)24(21,22)23/h1-8H,9-12H2,(H2,21,22,23)
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TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for the inhibitory activity against inducible form of human recombinant Prostaglandin G/H synthase 1


Bioorg Med Chem Lett 5: 867-872 (1995)


Article DOI: 10.1016/0960-894X(95)00131-C
BindingDB Entry DOI: 10.7270/Q2P26Z3Q
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50029625
PNG
(1-methyl-4-[2-(4-methylsulfonylphenyl)-1-cyclopent...)
Show SMILES Cc1ccc(cc1)C1=C(CCC1)c1ccc(cc1)S(C)(=O)=O |t:8|
Show InChI InChI=1S/C19H20O2S/c1-14-6-8-15(9-7-14)18-4-3-5-19(18)16-10-12-17(13-11-16)22(2,20)21/h6-13H,3-5H2,1-2H3
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Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 (COX-2).


J Med Chem 38: 4570-8 (1995)


BindingDB Entry DOI: 10.7270/Q23N22D2
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50029615
PNG
(4-[2-(4-Chloro-phenyl)-cyclopent-1-enyl]-benzenesu...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1=C(CCC1)c1ccc(Cl)cc1 |t:11|
Show InChI InChI=1S/C17H16ClNO2S/c18-14-8-4-12(5-9-14)16-2-1-3-17(16)13-6-10-15(11-7-13)22(19,20)21/h4-11H,1-3H2,(H2,19,20,21)
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Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 (COX-2).


J Med Chem 38: 4570-8 (1995)


BindingDB Entry DOI: 10.7270/Q23N22D2
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50029623
PNG
(1-chloro-4-[2-(4-methylsulfonylphenyl)-1-cyclopent...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(CCC1)c1ccc(Cl)cc1 |t:11|
Show InChI InChI=1S/C18H17ClO2S/c1-22(20,21)16-11-7-14(8-12-16)18-4-2-3-17(18)13-5-9-15(19)10-6-13/h5-12H,2-4H2,1H3
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Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of prostaglandin G/H synthase 2 (COX-2).


J Med Chem 38: 4570-8 (1995)


BindingDB Entry DOI: 10.7270/Q23N22D2
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049024
PNG
(4-[6-(4-Fluoro-phenyl)-spiro[2.4]hept-5-en-5-yl]-b...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1=C(CC2(CC2)C1)c1ccc(F)cc1 |t:11|
Show InChI InChI=1S/C19H18FNO2S/c20-15-5-1-13(2-6-15)17-11-19(9-10-19)12-18(17)14-3-7-16(8-4-14)24(21,22)23/h1-8H,9-12H2,(H2,21,22,23)
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Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against prostaglandin G/H synthase 2 (COX-2).


J Med Chem 39: 253-66 (1996)


Article DOI: 10.1021/jm950664x
BindingDB Entry DOI: 10.7270/Q2XG9Q6M
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049653
PNG
(4-Chloro-4',5'-difluoro-3-methyl-[1,1';2',1'']terp...)
Show SMILES Cc1cc(ccc1Cl)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H14ClF2NO2S/c1-11-8-13(4-7-17(11)20)16-10-19(22)18(21)9-15(16)12-2-5-14(6-3-12)26(23,24)25/h2-10H,1H3,(H2,23,24,25)
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n/an/a 3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049018
PNG
(5-(3,4-Dichloro-phenyl)-6-(4-methanesulfonyl-pheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(CC2(CC2)C1)c1ccc(Cl)c(Cl)c1 |t:11|
Show InChI InChI=1S/C20H18Cl2O2S/c1-25(23,24)15-5-2-13(3-6-15)16-11-20(8-9-20)12-17(16)14-4-7-18(21)19(22)10-14/h2-7,10H,8-9,11-12H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against prostaglandin G/H synthase 2 (COX-2).


J Med Chem 39: 253-66 (1996)


Article DOI: 10.1021/jm950664x
BindingDB Entry DOI: 10.7270/Q2XG9Q6M
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049010
PNG
(4-[6-(3,4-Difluoro-phenyl)-spiro[2.4]hept-5-en-5-y...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1=C(CC2(CC2)C1)c1ccc(F)c(F)c1 |t:11|
Show InChI InChI=1S/C19H17F2NO2S/c20-17-6-3-13(9-18(17)21)16-11-19(7-8-19)10-15(16)12-1-4-14(5-2-12)25(22,23)24/h1-6,9H,7-8,10-11H2,(H2,22,23,24)
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n/an/a 3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against prostaglandin G/H synthase 2 (COX-2).


J Med Chem 39: 253-66 (1996)


Article DOI: 10.1021/jm950664x
BindingDB Entry DOI: 10.7270/Q2XG9Q6M
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50029623
PNG
(1-chloro-4-[2-(4-methylsulfonylphenyl)-1-cyclopent...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(CCC1)c1ccc(Cl)cc1 |t:11|
Show InChI InChI=1S/C18H17ClO2S/c1-22(20,21)16-11-7-14(8-12-16)18-4-2-3-17(18)13-5-9-15(19)10-6-13/h5-12H,2-4H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Searle Research & Development

Curated by ChEMBL


Assay Description
Tested for inhibition against Prostaglandin G/H synthase 2


J Med Chem 37: 3878-81 (1994)


BindingDB Entry DOI: 10.7270/Q26D5S1G
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50029625
PNG
(1-methyl-4-[2-(4-methylsulfonylphenyl)-1-cyclopent...)
Show SMILES Cc1ccc(cc1)C1=C(CCC1)c1ccc(cc1)S(C)(=O)=O |t:8|
Show InChI InChI=1S/C19H20O2S/c1-14-6-8-15(9-7-14)18-4-3-5-19(18)16-10-12-17(13-11-16)22(2,20)21/h6-13H,3-5H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Searle Research & Development

Curated by ChEMBL


Assay Description
Tested for inhibition against Prostaglandin G/H synthase 2


J Med Chem 37: 3878-81 (1994)


BindingDB Entry DOI: 10.7270/Q26D5S1G
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049013
PNG
(5-(3,4-Difluoro-phenyl)-6-(4-methanesulfonyl-pheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(CC2(CC2)C1)c1ccc(F)c(F)c1 |t:11|
Show InChI InChI=1S/C20H18F2O2S/c1-25(23,24)15-5-2-13(3-6-15)16-11-20(8-9-20)12-17(16)14-4-7-18(21)19(22)10-14/h2-7,10H,8-9,11-12H2,1H3
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n/an/a 3.30n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against prostaglandin G/H synthase 2 (COX-2).


J Med Chem 39: 253-66 (1996)


Article DOI: 10.1021/jm950664x
BindingDB Entry DOI: 10.7270/Q2XG9Q6M
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049022
PNG
(6-(4-Fluoro-phenyl)-7-(4-methanesulfonyl-phenyl)-s...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(CC2(CCC2)C1)c1ccc(F)cc1 |t:11|
Show InChI InChI=1S/C21H21FO2S/c1-25(23,24)18-9-5-16(6-10-18)20-14-21(11-2-12-21)13-19(20)15-3-7-17(22)8-4-15/h3-10H,2,11-14H2,1H3
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for the inhibitory activity against inducible form of human recombinant Prostaglandin G/H synthase 1


Bioorg Med Chem Lett 5: 867-872 (1995)


Article DOI: 10.1016/0960-894X(95)00131-C
BindingDB Entry DOI: 10.7270/Q2P26Z3Q
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049027
PNG
(4-[6-(3,5-Dichloro-4-methoxy-phenyl)-spiro[2.4]hep...)
Show SMILES COc1c(Cl)cc(cc1Cl)C1=C(CC2(CC2)C1)c1ccc(cc1)S(N)(=O)=O |t:11|
Show InChI InChI=1S/C20H19Cl2NO3S/c1-26-19-17(21)8-13(9-18(19)22)16-11-20(6-7-20)10-15(16)12-2-4-14(5-3-12)27(23,24)25/h2-5,8-9H,6-7,10-11H2,1H3,(H2,23,24,25)
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n/an/a 4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against prostaglandin G/H synthase 2 (COX-2).


J Med Chem 39: 253-66 (1996)


Article DOI: 10.1021/jm950664x
BindingDB Entry DOI: 10.7270/Q2XG9Q6M
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049022
PNG
(6-(4-Fluoro-phenyl)-7-(4-methanesulfonyl-phenyl)-s...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(CC2(CCC2)C1)c1ccc(F)cc1 |t:11|
Show InChI InChI=1S/C21H21FO2S/c1-25(23,24)18-9-5-16(6-10-18)20-14-21(11-2-12-21)13-19(20)15-3-7-17(22)8-4-15/h3-10H,2,11-14H2,1H3
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n/an/a 4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against prostaglandin G/H synthase 2 (COX-2).


J Med Chem 39: 253-66 (1996)


Article DOI: 10.1021/jm950664x
BindingDB Entry DOI: 10.7270/Q2XG9Q6M
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049645
PNG
(4',5'-Difluoro-4''-methyl-[1,1';2',1'']terphenyl-4...)
Show SMILES Cc1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H15F2NO2S/c1-12-2-4-13(5-3-12)16-10-18(20)19(21)11-17(16)14-6-8-15(9-7-14)25(22,23)24/h2-11H,1H3,(H2,22,23,24)
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n/an/a 4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049659
PNG
(4',5',4''-Trifluoro-[1,1';2',1'']terphenyl-4-sulfo...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc(F)cc1
Show InChI InChI=1S/C18H12F3NO2S/c19-13-5-1-11(2-6-13)15-9-17(20)18(21)10-16(15)12-3-7-14(8-4-12)25(22,23)24/h1-10H,(H2,22,23,24)
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n/an/a 4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049622
PNG
(2'-Benzo[1,3]dioxol-5-yl-4',5'-difluoro-biphenyl-4...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc(F)c(F)cc1-c1ccc2OCOc2c1
Show InChI InChI=1S/C19H13F2NO4S/c20-16-8-14(11-1-4-13(5-2-11)27(22,23)24)15(9-17(16)21)12-3-6-18-19(7-12)26-10-25-18/h1-9H,10H2,(H2,22,23,24)
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n/an/a 4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50029613
PNG
(1-Methoxy-4-(2-(4-(methanesulfonyl)phenyl)cyclopen...)
Show SMILES COc1ccc(cc1)C1=C(CCC1)c1ccc(cc1)S(C)(=O)=O |t:9|
Show InChI InChI=1S/C19H20O3S/c1-22-16-10-6-14(7-11-16)18-4-3-5-19(18)15-8-12-17(13-9-15)23(2,20)21/h6-13H,3-5H2,1-2H3
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n/an/a 5n/an/an/an/an/an/a



Searle Research & Development

Curated by ChEMBL


Assay Description
Tested for inhibition against Prostaglandin G/H synthase 2


J Med Chem 37: 3878-81 (1994)


BindingDB Entry DOI: 10.7270/Q26D5S1G
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50049623
PNG
(4,4',5'-Trifluoro-4''-methanesulfonyl-3-methyl-[1,...)
Show SMILES Cc1cc(ccc1F)-c1cc(F)c(F)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H15F3O2S/c1-12-9-14(5-8-18(12)21)17-11-20(23)19(22)10-16(17)13-3-6-15(7-4-13)26(2,24)25/h3-11H,1-2H3
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n/an/a 5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2


J Med Chem 39: 1846-56 (1996)


Article DOI: 10.1021/jm950878e
BindingDB Entry DOI: 10.7270/Q2Z89BGW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50049025
PNG
(4-[6-(4-Methoxy-phenyl)-spiro[2.4]hept-5-en-5-yl]-...)
Show SMILES COc1ccc(cc1)C1=C(CC2(CC2)C1)c1ccc(cc1)S(N)(=O)=O |t:9|
Show InChI InChI=1S/C20H21NO3S/c1-24-16-6-2-14(3-7-16)18-12-20(10-11-20)13-19(18)15-4-8-17(9-5-15)25(21,22)23/h2-9H,10-13H2,1H3,(H2,21,22,23)
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n/an/a 5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


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


J Med Chem 39: 253-66 (1996)


Article DOI: 10.1021/jm950664x
BindingDB Entry DOI: 10.7270/Q2XG9Q6M
More data for this
Ligand-Target Pair
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