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Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with all data for entry = 50014287   
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
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
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 110n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human prostaglandin G/H synthase 1


Bioorg Med Chem Lett 14: 1201-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.047
BindingDB Entry DOI: 10.7270/Q27P8XTN
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
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 190n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 14: 1201-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.047
BindingDB Entry DOI: 10.7270/Q27P8XTN
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM50078688
PNG
(3-(3,4-Difluoro-phenyl)-4-(4-methanesulfonyl-pheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C17H12F2O4S/c1-24(21,22)12-5-2-10(3-6-12)13-9-23-17(20)16(13)11-4-7-14(18)15(19)8-11/h2-8H,9H2,1H3
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n/an/a 230n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory potency against Prostaglandin G/H synthase 1 in human whole blood assay


Bioorg Med Chem Lett 14: 1201-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.047
BindingDB Entry DOI: 10.7270/Q27P8XTN
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50140321
PNG
((S)-2-[4-((1R,2S)-2-Hydroxy-cyclopentylmethyl)-phe...)
Show SMILES C[C@H](C(O)=O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1
Show InChI InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10-,13+,14-/m0/s1
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n/an/a 280n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory potency against Prostaglandin G/H synthase 1 in human whole blood assay


Bioorg Med Chem Lett 14: 1201-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.047
BindingDB Entry DOI: 10.7270/Q27P8XTN
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50140321
PNG
((S)-2-[4-((1R,2S)-2-Hydroxy-cyclopentylmethyl)-phe...)
Show SMILES C[C@H](C(O)=O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1
Show InChI InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10-,13+,14-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory potency against cyclooxygenase-2 in human whole blood assay


Bioorg Med Chem Lett 14: 1201-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.047
BindingDB Entry DOI: 10.7270/Q27P8XTN
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM50140321
PNG
((S)-2-[4-((1R,2S)-2-Hydroxy-cyclopentylmethyl)-phe...)
Show SMILES C[C@H](C(O)=O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1
Show InChI InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10-,13+,14-/m0/s1
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n/an/a 390n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 14: 1201-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.047
BindingDB Entry DOI: 10.7270/Q27P8XTN
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
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 440n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory potency against cyclooxygenase-2 in human whole blood assay


Bioorg Med Chem Lett 14: 1201-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.047
BindingDB Entry DOI: 10.7270/Q27P8XTN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (Human))
BDBM50078688
PNG
(3-(3,4-Difluoro-phenyl)-4-(4-methanesulfonyl-pheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C17H12F2O4S/c1-24(21,22)12-5-2-10(3-6-12)13-9-23-17(20)16(13)11-4-7-14(18)15(19)8-11/h2-8H,9H2,1H3
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n/an/a 480n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory potency against cyclooxygenase-2 in human whole blood assay


Bioorg Med Chem Lett 14: 1201-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.047
BindingDB Entry DOI: 10.7270/Q27P8XTN
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50140321
PNG
((S)-2-[4-((1R,2S)-2-Hydroxy-cyclopentylmethyl)-phe...)
Show SMILES C[C@H](C(O)=O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1
Show InChI InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10-,13+,14-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human prostaglandin G/H synthase 1


Bioorg Med Chem Lett 14: 1201-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.047
BindingDB Entry DOI: 10.7270/Q27P8XTN
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM22369
PNG
(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1
Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 530n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory potency against cyclooxygenase-2 in human whole blood assay


Bioorg Med Chem Lett 14: 1201-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.047
BindingDB Entry DOI: 10.7270/Q27P8XTN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
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 730n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 14: 1201-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.047
BindingDB Entry DOI: 10.7270/Q27P8XTN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50140319
PNG
(2-[4-(2-Hydroxy-cyclopentylmethyl)-phenyl]-propion...)
Show SMILES CC(C(O)=O)c1ccc(CC2CCCC2O)cc1
Show InChI InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory potency against Prostaglandin G/H synthase 1 in human whole blood assay


Bioorg Med Chem Lett 14: 1201-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.047
BindingDB Entry DOI: 10.7270/Q27P8XTN
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50140316
PNG
((S)-2-[4-((1S,2R)-2-Hydroxy-cyclopentylmethyl)-phe...)
Show SMILES C[C@H](C(O)=O)c1ccc(C[C@@H]2CCC[C@H]2O)cc1
Show InChI InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10-,13-,14+/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory potency against cyclooxygenase-2 in human whole blood assay


Bioorg Med Chem Lett 14: 1201-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.047
BindingDB Entry DOI: 10.7270/Q27P8XTN
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50140316
PNG
((S)-2-[4-((1S,2R)-2-Hydroxy-cyclopentylmethyl)-phe...)
Show SMILES C[C@H](C(O)=O)c1ccc(C[C@@H]2CCC[C@H]2O)cc1
Show InChI InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10-,13-,14+/m0/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory potency against Prostaglandin G/H synthase 1 in human whole blood assay


Bioorg Med Chem Lett 14: 1201-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.047
BindingDB Entry DOI: 10.7270/Q27P8XTN
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50140320
PNG
(2-[4-(2-Oxo-cyclopentylmethyl)-phenyl]-propionic a...)
Show SMILES CC(C(O)=O)c1ccc(CC2CCCC2=O)cc1
Show InChI InChI=1S/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(H,17,18)
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n/an/a 6.50E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory potency against Prostaglandin G/H synthase 1 in human whole blood assay


Bioorg Med Chem Lett 14: 1201-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.047
BindingDB Entry DOI: 10.7270/Q27P8XTN
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50140320
PNG
(2-[4-(2-Oxo-cyclopentylmethyl)-phenyl]-propionic a...)
Show SMILES CC(C(O)=O)c1ccc(CC2CCCC2=O)cc1
Show InChI InChI=1S/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(H,17,18)
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n/an/a 1.35E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory potency against cyclooxygenase-2 in human whole blood assay


Bioorg Med Chem Lett 14: 1201-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.047
BindingDB Entry DOI: 10.7270/Q27P8XTN
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50078688
PNG
(3-(3,4-Difluoro-phenyl)-4-(4-methanesulfonyl-pheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C17H12F2O4S/c1-24(21,22)12-5-2-10(3-6-12)13-9-23-17(20)16(13)11-4-7-14(18)15(19)8-11/h2-8H,9H2,1H3
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n/an/a 1.53E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory potency against Prostaglandin G/H synthase 1 in human whole blood assay


Bioorg Med Chem Lett 14: 1201-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.047
BindingDB Entry DOI: 10.7270/Q27P8XTN
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM22369
PNG
(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1
Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 1.88E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory potency against Prostaglandin G/H synthase 1 in human whole blood assay


Bioorg Med Chem Lett 14: 1201-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.047
BindingDB Entry DOI: 10.7270/Q27P8XTN
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50140317
PNG
((R)-2-[4-((1R,2S)-2-Hydroxy-cyclopentylmethyl)-phe...)
Show SMILES C[C@@H](C(O)=O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1
Show InChI InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10-,13-,14+/m1/s1
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n/an/a 2.02E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory potency against Prostaglandin G/H synthase 1 in human whole blood assay


Bioorg Med Chem Lett 14: 1201-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.047
BindingDB Entry DOI: 10.7270/Q27P8XTN
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50140319
PNG
(2-[4-(2-Hydroxy-cyclopentylmethyl)-phenyl]-propion...)
Show SMILES CC(C(O)=O)c1ccc(CC2CCCC2O)cc1
Show InChI InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)
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n/an/a 2.20E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory potency against cyclooxygenase-2 in human whole blood assay


Bioorg Med Chem Lett 14: 1201-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.047
BindingDB Entry DOI: 10.7270/Q27P8XTN
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM50140319
PNG
(2-[4-(2-Hydroxy-cyclopentylmethyl)-phenyl]-propion...)
Show SMILES CC(C(O)=O)c1ccc(CC2CCCC2O)cc1
Show InChI InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 14: 1201-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.047
BindingDB Entry DOI: 10.7270/Q27P8XTN
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50140319
PNG
(2-[4-(2-Hydroxy-cyclopentylmethyl)-phenyl]-propion...)
Show SMILES CC(C(O)=O)c1ccc(CC2CCCC2O)cc1
Show InChI InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 14: 1201-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.047
BindingDB Entry DOI: 10.7270/Q27P8XTN
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50140318
PNG
((R)-2-[4-((1S,2R)-2-Hydroxy-cyclopentylmethyl)-phe...)
Show SMILES C[C@@H](C(O)=O)c1ccc(C[C@@H]2CCC[C@H]2O)cc1
Show InChI InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10-,13+,14-/m1/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory potency against Prostaglandin G/H synthase 1 in human whole blood assay


Bioorg Med Chem Lett 14: 1201-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.047
BindingDB Entry DOI: 10.7270/Q27P8XTN
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50140318
PNG
((R)-2-[4-((1S,2R)-2-Hydroxy-cyclopentylmethyl)-phe...)
Show SMILES C[C@@H](C(O)=O)c1ccc(C[C@@H]2CCC[C@H]2O)cc1
Show InChI InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10-,13+,14-/m1/s1
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n/an/a>3.30E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory potency against cyclooxygenase-2 in human whole blood assay


Bioorg Med Chem Lett 14: 1201-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.047
BindingDB Entry DOI: 10.7270/Q27P8XTN
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50140316
PNG
((S)-2-[4-((1S,2R)-2-Hydroxy-cyclopentylmethyl)-phe...)
Show SMILES C[C@H](C(O)=O)c1ccc(C[C@@H]2CCC[C@H]2O)cc1
Show InChI InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10-,13-,14+/m0/s1
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n/an/a 5.10E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human prostaglandin G/H synthase 1


Bioorg Med Chem Lett 14: 1201-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.047
BindingDB Entry DOI: 10.7270/Q27P8XTN
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50078688
PNG
(3-(3,4-Difluoro-phenyl)-4-(4-methanesulfonyl-pheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C17H12F2O4S/c1-24(21,22)12-5-2-10(3-6-12)13-9-23-17(20)16(13)11-4-7-14(18)15(19)8-11/h2-8H,9H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 14: 1201-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.047
BindingDB Entry DOI: 10.7270/Q27P8XTN
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50140317
PNG
((R)-2-[4-((1R,2S)-2-Hydroxy-cyclopentylmethyl)-phe...)
Show SMILES C[C@@H](C(O)=O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1
Show InChI InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10-,13-,14+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 14: 1201-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.047
BindingDB Entry DOI: 10.7270/Q27P8XTN
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM50140318
PNG
((R)-2-[4-((1S,2R)-2-Hydroxy-cyclopentylmethyl)-phe...)
Show SMILES C[C@@H](C(O)=O)c1ccc(C[C@@H]2CCC[C@H]2O)cc1
Show InChI InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10-,13+,14-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human prostaglandin G/H synthase 1


Bioorg Med Chem Lett 14: 1201-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.047
BindingDB Entry DOI: 10.7270/Q27P8XTN
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50140320
PNG
(2-[4-(2-Oxo-cyclopentylmethyl)-phenyl]-propionic a...)
Show SMILES CC(C(O)=O)c1ccc(CC2CCCC2=O)cc1
Show InChI InChI=1S/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(H,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 14: 1201-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.047
BindingDB Entry DOI: 10.7270/Q27P8XTN
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50140317
PNG
((R)-2-[4-((1R,2S)-2-Hydroxy-cyclopentylmethyl)-phe...)
Show SMILES C[C@@H](C(O)=O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1
Show InChI InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10-,13-,14+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human prostaglandin G/H synthase 1


Bioorg Med Chem Lett 14: 1201-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.047
BindingDB Entry DOI: 10.7270/Q27P8XTN
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM50140316
PNG
((S)-2-[4-((1S,2R)-2-Hydroxy-cyclopentylmethyl)-phe...)
Show SMILES C[C@H](C(O)=O)c1ccc(C[C@@H]2CCC[C@H]2O)cc1
Show InChI InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10-,13-,14+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human prostaglandin G/H synthase 1


Bioorg Med Chem Lett 14: 1201-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.047
BindingDB Entry DOI: 10.7270/Q27P8XTN
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM50140320
PNG
(2-[4-(2-Oxo-cyclopentylmethyl)-phenyl]-propionic a...)
Show SMILES CC(C(O)=O)c1ccc(CC2CCCC2=O)cc1
Show InChI InChI=1S/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(H,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human prostaglandin G/H synthase 1


Bioorg Med Chem Lett 14: 1201-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.047
BindingDB Entry DOI: 10.7270/Q27P8XTN
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50140318
PNG
((R)-2-[4-((1S,2R)-2-Hydroxy-cyclopentylmethyl)-phe...)
Show SMILES C[C@@H](C(O)=O)c1ccc(C[C@@H]2CCC[C@H]2O)cc1
Show InChI InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10-,13+,14-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human prostaglandin G/H synthase 1


Bioorg Med Chem Lett 14: 1201-3 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.047
BindingDB Entry DOI: 10.7270/Q27P8XTN
More data for this
Ligand-Target Pair