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21 similar compounds to monomer 173526

Compile data set for download or QSAR
Wt: 405.4
BDBM54634
Wt: 511.4
BDBM123429
Wt: 383.3
BDBM50057523
Purchase
Wt: 379.3
BDBM50057562
Wt: 435.3
BDBM50057568
Wt: 411.3
BDBM50057584
Wt: 397.3
BDBM50057589
Wt: 439.9
BDBM50057593
Wt: 411.3
BDBM50057620
Wt: 389.4
BDBM50224101
Purchase
Wt: 425.3
BDBM50355026
Wt: 359.4
BDBM50428516
Wt: 458.4
BDBM173518
Wt: 456.4
BDBM173519
Wt: 472.4
BDBM173520
Displayed 1 to 15 (of 21 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 49 hits for monomerid = 54634,123429,50057523,50057562,50057568,50057584,50057589,50057593,50057620,50224101,50355026,50428516,173518,173519,173520   
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
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50428516
PNG
(CHEMBL2336622)
Show SMILES COc1ccc(cc1)-c1cc(CO)nn1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H17N3O4S/c1-24-15-6-2-12(3-7-15)17-10-13(11-21)19-20(17)14-4-8-16(9-5-14)25(18,22)23/h2-10,21H,11H2,1H3,(H2,18,22,23)
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20n/an/an/an/an/an/an/an/a



Univ. Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1451-64 (2013)


Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50428516
PNG
(CHEMBL2336622)
Show SMILES COc1ccc(cc1)-c1cc(CO)nn1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H17N3O4S/c1-24-15-6-2-12(3-7-15)17-10-13(11-21)19-20(17)14-4-8-16(9-5-14)25(18,22)23/h2-10,21H,11H2,1H3,(H2,18,22,23)
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136n/an/an/an/an/an/an/an/a



Univ. Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1451-64 (2013)


Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM54634
PNG
(4-[5-(4-methoxyphenyl)-3-phenyl-1-pyrazolyl]benzen...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C22H19N3O3S/c1-28-19-11-7-17(8-12-19)22-15-21(16-5-3-2-4-6-16)24-25(22)18-9-13-20(14-10-18)29(23,26)27/h2-15H,1H3,(H2,23,26,27)
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380n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2B856J1
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM54634
PNG
(4-[5-(4-methoxyphenyl)-3-phenyl-1-pyrazolyl]benzen...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C22H19N3O3S/c1-28-19-11-7-17(8-12-19)22-15-21(16-5-3-2-4-6-16)24-25(22)18-9-13-20(14-10-18)29(23,26)27/h2-15H,1H3,(H2,23,26,27)
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1.07E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2KS6Q0S
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50428516
PNG
(CHEMBL2336622)
Show SMILES COc1ccc(cc1)-c1cc(CO)nn1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H17N3O4S/c1-24-15-6-2-12(3-7-15)17-10-13(11-21)19-20(17)14-4-8-16(9-5-14)25(18,22)23/h2-10,21H,11H2,1H3,(H2,18,22,23)
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1.79E+3n/an/an/an/an/an/an/an/a



Univ. Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1451-64 (2013)


Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM54634
PNG
(4-[5-(4-methoxyphenyl)-3-phenyl-1-pyrazolyl]benzen...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C22H19N3O3S/c1-28-19-11-7-17(8-12-19)22-15-21(16-5-3-2-4-6-16)24-25(22)18-9-13-20(14-10-18)29(23,26)27/h2-15H,1H3,(H2,23,26,27)
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n/an/an/an/a 5.05E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2QJ7FRJ
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens)
BDBM54634
PNG
(4-[5-(4-methoxyphenyl)-3-phenyl-1-pyrazolyl]benzen...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C22H19N3O3S/c1-28-19-11-7-17(8-12-19)22-15-21(16-5-3-2-4-6-16)24-25(22)18-9-13-20(14-10-18)29(23,26)27/h2-15H,1H3,(H2,23,26,27)
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n/an/an/an/a 2.43E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2G15Z8C
More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM54634
PNG
(4-[5-(4-methoxyphenyl)-3-phenyl-1-pyrazolyl]benzen...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C22H19N3O3S/c1-28-19-11-7-17(8-12-19)22-15-21(16-5-3-2-4-6-16)24-25(22)18-9-13-20(14-10-18)29(23,26)27/h2-15H,1H3,(H2,23,26,27)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2MK6B9H
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM123429
PNG
(US8741944, 51)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H15F6N3O2S/c24-22(25,26)17-7-5-15(6-8-17)14-1-3-16(4-2-14)20-13-21(23(27,28)29)31-32(20)18-9-11-19(12-10-18)35(30,33)34/h1-13H,(H2,30,33,34)
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n/an/a 1.80E+4n/an/an/an/an/an/a



The Ohio State University Research Foundation

US Patent


Assay Description
PDK-1 kinase activity This in vitro assay was performed using a PDK-1 kinase assay kit (Upstate, Lake Placid, N.Y.) according to the vendor's ins...


US Patent US8741944 (2014)


BindingDB Entry DOI: 10.7270/Q2TB15M1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM173518
PNG
(1-(4-Methanesulfonylphenyl)-3-(4-hydroxyphenyl)-5-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(F)(F)F)-c1ccc(O)cc1
Show InChI InChI=1S/C23H17F3N2O3S/c1-32(30,31)20-12-8-18(9-13-20)28-22(16-2-6-17(7-3-16)23(24,25)26)14-21(27-28)15-4-10-19(29)11-5-15/h2-14,29H,1H3
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n/an/a 5.90E+3n/an/an/an/an/an/a



Beni-Suef University



Assay Description
The ability of the test compounds to inhibit ovine COX01 and human recombinant COX-2 was determined using an enzyme immuno assay (EIA) kit according ...


Bioorg Chem 63: 13-23 (2015)


Article DOI: 10.1016/j.bioorg.2015.09.002
BindingDB Entry DOI: 10.7270/Q28G8JGV
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM173519
PNG
(1-(4-Methanesulfonylphenyl)-3-(p-tolyl)-5-(4-trifl...)
Show SMILES Cc1ccc(cc1)-c1cc(-c2ccc(cc2)C(F)(F)F)n(n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C24H19F3N2O2S/c1-16-3-5-17(6-4-16)22-15-23(18-7-9-19(10-8-18)24(25,26)27)29(28-22)20-11-13-21(14-12-20)32(2,30)31/h3-15H,1-2H3
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n/an/a 1.18E+4n/an/an/an/an/an/a



Beni-Suef University



Assay Description
The ability of the test compounds to inhibit ovine COX01 and human recombinant COX-2 was determined using an enzyme immuno assay (EIA) kit according ...


Bioorg Chem 63: 13-23 (2015)


Article DOI: 10.1016/j.bioorg.2015.09.002
BindingDB Entry DOI: 10.7270/Q28G8JGV
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM173520
PNG
(1-(4-methanesulfonylphenyl)-3-(4-methoxyphenyl)-5-...)
Show SMILES COc1ccc(cc1)-c1cc(-c2ccc(cc2)C(F)(F)F)n(n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C24H19F3N2O3S/c1-32-20-11-5-16(6-12-20)22-15-23(17-3-7-18(8-4-17)24(25,26)27)29(28-22)19-9-13-21(14-10-19)33(2,30)31/h3-15H,1-2H3
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n/an/a 1.51E+4n/an/an/an/an/an/a



Beni-Suef University



Assay Description
The ability of the test compounds to inhibit ovine COX01 and human recombinant COX-2 was determined using an enzyme immuno assay (EIA) kit according ...


Bioorg Chem 63: 13-23 (2015)


Article DOI: 10.1016/j.bioorg.2015.09.002
BindingDB Entry DOI: 10.7270/Q28G8JGV
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Homo sapiens (Human))
BDBM173518
PNG
(1-(4-Methanesulfonylphenyl)-3-(4-hydroxyphenyl)-5-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(F)(F)F)-c1ccc(O)cc1
Show InChI InChI=1S/C23H17F3N2O3S/c1-32(30,31)20-12-8-18(9-13-20)28-22(16-2-6-17(7-3-16)23(24,25)26)14-21(27-28)15-4-10-19(29)11-5-15/h2-14,29H,1H3
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n/an/a 970n/an/an/an/an/an/a



Beni-Suef University



Assay Description
The ability of the test compounds to inhibit ovine COX01 and human recombinant COX-2 was determined using an enzyme immuno assay (EIA) kit according ...


Bioorg Chem 63: 13-23 (2015)


Article DOI: 10.1016/j.bioorg.2015.09.002
BindingDB Entry DOI: 10.7270/Q28G8JGV
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Homo sapiens (Human))
BDBM173519
PNG
(1-(4-Methanesulfonylphenyl)-3-(p-tolyl)-5-(4-trifl...)
Show SMILES Cc1ccc(cc1)-c1cc(-c2ccc(cc2)C(F)(F)F)n(n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C24H19F3N2O2S/c1-16-3-5-17(6-4-16)22-15-23(18-7-9-19(10-8-18)24(25,26)27)29(28-22)20-11-13-21(14-12-20)32(2,30)31/h3-15H,1-2H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



Beni-Suef University



Assay Description
The ability of the test compounds to inhibit ovine COX01 and human recombinant COX-2 was determined using an enzyme immuno assay (EIA) kit according ...


Bioorg Chem 63: 13-23 (2015)


Article DOI: 10.1016/j.bioorg.2015.09.002
BindingDB Entry DOI: 10.7270/Q28G8JGV
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Homo sapiens (Human))
BDBM173520
PNG
(1-(4-methanesulfonylphenyl)-3-(4-methoxyphenyl)-5-...)
Show SMILES COc1ccc(cc1)-c1cc(-c2ccc(cc2)C(F)(F)F)n(n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C24H19F3N2O3S/c1-32-20-11-5-16(6-12-20)22-15-23(17-3-7-18(8-4-17)24(25,26)27)29(28-22)19-9-13-21(14-10-19)33(2,30)31/h3-15H,1-2H3
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n/an/a 5.40E+3n/an/an/an/an/an/a



Beni-Suef University



Assay Description
The ability of the test compounds to inhibit ovine COX01 and human recombinant COX-2 was determined using an enzyme immuno assay (EIA) kit according ...


Bioorg Chem 63: 13-23 (2015)


Article DOI: 10.1016/j.bioorg.2015.09.002
BindingDB Entry DOI: 10.7270/Q28G8JGV
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50057523
PNG
(4-[5-(4-Hydroxy-phenyl)-3-trifluoromethyl-pyrazol-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(O)cc1)C(F)(F)F
Show InChI InChI=1S/C16H12F3N3O3S/c17-16(18,19)15-9-14(10-1-5-12(23)6-2-10)22(21-15)11-3-7-13(8-4-11)26(20,24)25/h1-9,23H,(H2,20,24,25)
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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
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50057568
PNG
(4-(3-(trifluoromethyl)-5-(4-(trifluoromethyl)pheny...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H11F6N3O2S/c18-16(19,20)11-3-1-10(2-4-11)14-9-15(17(21,22)23)25-26(14)12-5-7-13(8-6-12)29(24,27)28/h1-9H,(H2,24,27,28)
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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
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50057584
PNG
(4-[5-(4-Ethoxy-phenyl)-3-trifluoromethyl-pyrazol-1...)
Show SMILES CCOc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O3S/c1-2-27-14-7-3-12(4-8-14)16-11-17(18(19,20)21)23-24(16)13-5-9-15(10-6-13)28(22,25)26/h3-11H,2H2,1H3,(H2,22,25,26)
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n/an/a 2.82E+4n/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
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50057589
PNG
(4-[5-(4-Methoxy-phenyl)-3-trifluoromethyl-pyrazol-...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O3S/c1-26-13-6-2-11(3-7-13)15-10-16(17(18,19)20)22-23(15)12-4-8-14(9-5-12)27(21,24)25/h2-10H,1H3,(H2,21,24,25)
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PubMed
n/an/a 2.58E+3n/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
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50057620
PNG
(4-[5-(4-Methoxy-3-methyl-phenyl)-3-trifluoromethyl...)
Show SMILES COc1ccc(cc1C)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O3S/c1-11-9-12(3-8-16(11)27-2)15-10-17(18(19,20)21)23-24(15)13-4-6-14(7-5-13)28(22,25)26/h3-10H,1-2H3,(H2,22,25,26)
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n/an/a 1.54E+4n/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
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50057593
PNG
(4-[5-(4-Chloro-phenyl)-3-(4-methoxy-phenyl)-pyrazo...)
Show SMILES COc1ccc(cc1)-c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C22H18ClN3O3S/c1-29-19-10-4-15(5-11-19)21-14-22(16-2-6-17(23)7-3-16)26(25-21)18-8-12-20(13-9-18)30(24,27)28/h2-14H,1H3,(H2,24,27,28)
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n/an/a 8.49E+3n/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
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50057562
PNG
(4-[3-Difluoromethyl-5-(4-methoxy-phenyl)-pyrazol-1...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)F
Show InChI InChI=1S/C17H15F2N3O3S/c1-25-13-6-2-11(3-7-13)16-10-15(17(18)19)21-22(16)12-4-8-14(9-5-12)26(20,23)24/h2-10,17H,1H3,(H2,20,23,24)
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n/an/a 830n/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
Cyclooxygenase


(Homo sapiens (human))
BDBM50057568
PNG
(4-(3-(trifluoromethyl)-5-(4-(trifluoromethyl)pheny...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H11F6N3O2S/c18-16(19,20)11-3-1-10(2-4-11)14-9-15(17(21,22)23)25-26(14)12-5-7-13(8-6-12)29(24,27)28/h1-9H,(H2,24,27,28)
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n/an/a 8.23E+3n/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
Cyclooxygenase


(Homo sapiens (human))
BDBM50057562
PNG
(4-[3-Difluoromethyl-5-(4-methoxy-phenyl)-pyrazol-1...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)F
Show InChI InChI=1S/C17H15F2N3O3S/c1-25-13-6-2-11(3-7-13)16-10-15(17(18)19)21-22(16)12-4-8-14(9-5-12)26(20,23)24/h2-10,17H,1H3,(H2,20,23,24)
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n/an/a 15n/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
Cyclooxygenase


(Homo sapiens (human))
BDBM50057584
PNG
(4-[5-(4-Ethoxy-phenyl)-3-trifluoromethyl-pyrazol-1...)
Show SMILES CCOc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O3S/c1-2-27-14-7-3-12(4-8-14)16-11-17(18(19,20)21)23-24(16)13-5-9-15(10-6-13)28(22,25)26/h3-11H,2H2,1H3,(H2,22,25,26)
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n/an/a 640n/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
Cyclooxygenase


(Homo sapiens (human))
BDBM50057593
PNG
(4-[5-(4-Chloro-phenyl)-3-(4-methoxy-phenyl)-pyrazo...)
Show SMILES COc1ccc(cc1)-c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C22H18ClN3O3S/c1-29-19-10-4-15(5-11-19)21-14-22(16-2-6-17(23)7-3-16)26(25-21)18-8-12-20(13-9-18)30(24,27)28/h2-14H,1H3,(H2,24,27,28)
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n/an/a 100n/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
Cyclooxygenase


(Homo sapiens (human))
BDBM50057523
PNG
(4-[5-(4-Hydroxy-phenyl)-3-trifluoromethyl-pyrazol-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(O)cc1)C(F)(F)F
Show InChI InChI=1S/C16H12F3N3O3S/c17-16(18,19)15-9-14(10-1-5-12(23)6-2-10)22(21-15)11-3-7-13(8-4-11)26(20,24)25/h1-9,23H,(H2,20,24,25)
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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 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
Cyclooxygenase


(Homo sapiens (human))
BDBM50057589
PNG
(4-[5-(4-Methoxy-phenyl)-3-trifluoromethyl-pyrazol-...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O3S/c1-26-13-6-2-11(3-7-13)15-10-16(17(18,19)20)22-23(15)12-4-8-14(9-5-12)27(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 8n/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
Cyclooxygenase


(Homo sapiens (human))
BDBM50057620
PNG
(4-[5-(4-Methoxy-3-methyl-phenyl)-3-trifluoromethyl...)
Show SMILES COc1ccc(cc1C)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O3S/c1-11-9-12(3-8-16(11)27-2)15-10-17(18(19,20)21)23-24(15)13-4-6-14(7-5-13)28(22,25)26/h3-10H,1-2H3,(H2,22,25,26)
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n/an/a 9.30n/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
Cyclooxygenase


(Homo sapiens (human))
BDBM50057620
PNG
(4-[5-(4-Methoxy-3-methyl-phenyl)-3-trifluoromethyl...)
Show SMILES COc1ccc(cc1C)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O3S/c1-11-9-12(3-8-16(11)27-2)15-10-17(18(19,20)21)23-24(15)13-4-6-14(7-5-13)28(22,25)26/h3-10H,1-2H3,(H2,22,25,26)
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n/an/a 9.30n/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
Cyclooxygenase


(Homo sapiens (human))
BDBM50057568
PNG
(4-(3-(trifluoromethyl)-5-(4-(trifluoromethyl)pheny...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H11F6N3O2S/c18-16(19,20)11-3-1-10(2-4-11)14-9-15(17(21,22)23)25-26(14)12-5-7-13(8-6-12)29(24,27)28/h1-9H,(H2,24,27,28)
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n/an/a 8.23E+3n/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
Cyclooxygenase


(Homo sapiens (human))
BDBM50057589
PNG
(4-[5-(4-Methoxy-phenyl)-3-trifluoromethyl-pyrazol-...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O3S/c1-26-13-6-2-11(3-7-13)15-10-16(17(18,19)20)22-23(15)12-4-8-14(9-5-12)27(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 8n/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
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50224101
PNG
(4-(3-phenyl-5-p-tolyl-1H-pyrazol-1-yl)benzenesulfo...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C22H19N3O2S/c1-16-7-9-18(10-8-16)22-15-21(17-5-3-2-4-6-17)24-25(22)19-11-13-20(14-12-19)28(23,26)27/h2-15H,1H3,(H2,23,26,27)
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n/an/a 1.60E+4n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2C9 by fluorescence inhibition assay


J Med Chem 50: 5382-91 (2007)


Article DOI: 10.1021/jm070745g
BindingDB Entry DOI: 10.7270/Q2TB16MF
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50057568
PNG
(4-(3-(trifluoromethyl)-5-(4-(trifluoromethyl)pheny...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H11F6N3O2S/c18-16(19,20)11-3-1-10(2-4-11)14-9-15(17(21,22)23)25-26(14)12-5-7-13(8-6-12)29(24,27)28/h1-9H,(H2,24,27,28)
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n/an/a 1.70E+4n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2C9 by fluorescence inhibition assay


J Med Chem 50: 5382-91 (2007)


Article DOI: 10.1021/jm070745g
BindingDB Entry DOI: 10.7270/Q2TB16MF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50355026
PNG
(CHEMBL1835055)
Show SMILES CC(=O)Oc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H14F3N3O4S/c1-11(25)28-14-6-2-12(3-7-14)16-10-17(18(19,20)21)23-24(16)13-4-8-15(9-5-13)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 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))
BDBM50355026
PNG
(CHEMBL1835055)
Show SMILES CC(=O)Oc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H14F3N3O4S/c1-11(25)28-14-6-2-12(3-7-14)16-10-17(18(19,20)21)23-24(16)13-4-8-15(9-5-13)29(22,26)27/h2-10H,1H3,(H2,22,26,27)
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n/an/a 3.80E+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))
BDBM50057562
PNG
(4-[3-Difluoromethyl-5-(4-methoxy-phenyl)-pyrazol-1...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)F
Show InChI InChI=1S/C17H15F2N3O3S/c1-25-13-6-2-11(3-7-13)16-10-15(17(18)19)21-22(16)12-4-8-14(9-5-12)26(20,23)24/h2-10,17H,1H3,(H2,20,23,24)
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n/an/a 15.1n/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


(Homo sapiens (human))
BDBM50057584
PNG
(4-[5-(4-Ethoxy-phenyl)-3-trifluoromethyl-pyrazol-1...)
Show SMILES CCOc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O3S/c1-2-27-14-7-3-12(4-8-14)16-11-17(18(19,20)21)23-24(16)13-5-9-15(10-6-13)28(22,25)26/h3-11H,2H2,1H3,(H2,22,25,26)
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n/an/a 646n/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


(Homo sapiens (human))
BDBM50057620
PNG
(4-[5-(4-Methoxy-3-methyl-phenyl)-3-trifluoromethyl...)
Show SMILES COc1ccc(cc1C)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O3S/c1-11-9-12(3-8-16(11)27-2)15-10-17(18(19,20)21)23-24(15)13-4-6-14(7-5-13)28(22,25)26/h3-10H,1-2H3,(H2,22,25,26)
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n/an/a 9.33n/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


(Homo sapiens (human))
BDBM50057589
PNG
(4-[5-(4-Methoxy-phenyl)-3-trifluoromethyl-pyrazol-...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O3S/c1-26-13-6-2-11(3-7-13)15-10-16(17(18,19)20)22-23(15)12-4-8-14(9-5-12)27(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 7.94n/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))
BDBM50057589
PNG
(4-[5-(4-Methoxy-phenyl)-3-trifluoromethyl-pyrazol-...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O3S/c1-26-13-6-2-11(3-7-13)15-10-16(17(18,19)20)22-23(15)12-4-8-14(9-5-12)27(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 7.94n/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
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50057620
PNG
(4-[5-(4-Methoxy-3-methyl-phenyl)-3-trifluoromethyl...)
Show SMILES COc1ccc(cc1C)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O3S/c1-11-9-12(3-8-16(11)27-2)15-10-17(18(19,20)21)23-24(15)13-4-6-14(7-5-13)28(22,25)26/h3-10H,1-2H3,(H2,22,25,26)
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n/an/a 1.55E+4n/an/an/an/an/an/a



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-2 (COX-2)


(Mus musculus (Mouse))
BDBM50057620
PNG
(4-[5-(4-Methoxy-3-methyl-phenyl)-3-trifluoromethyl...)
Show SMILES COc1ccc(cc1C)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O3S/c1-11-9-12(3-8-16(11)27-2)15-10-17(18(19,20)21)23-24(15)13-4-6-14(7-5-13)28(22,25)26/h3-10H,1-2H3,(H2,22,25,26)
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n/an/a 9.33n/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
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54634
PNG
(4-[5-(4-methoxyphenyl)-3-phenyl-1-pyrazolyl]benzen...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C22H19N3O3S/c1-28-19-11-7-17(8-12-19)22-15-21(16-5-3-2-4-6-16)24-25(22)18-9-13-20(14-10-18)29(23,26)27/h2-15H,1H3,(H2,23,26,27)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2959G0B
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens)
BDBM54634
PNG
(4-[5-(4-methoxyphenyl)-3-phenyl-1-pyrazolyl]benzen...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C22H19N3O3S/c1-28-19-11-7-17(8-12-19)22-15-21(16-5-3-2-4-6-16)24-25(22)18-9-13-20(14-10-18)29(23,26)27/h2-15H,1H3,(H2,23,26,27)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q22N50Q3
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM54634
PNG
(4-[5-(4-methoxyphenyl)-3-phenyl-1-pyrazolyl]benzen...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C22H19N3O3S/c1-28-19-11-7-17(8-12-19)22-15-21(16-5-3-2-4-6-16)24-25(22)18-9-13-20(14-10-18)29(23,26)27/h2-15H,1H3,(H2,23,26,27)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2B56H55
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50057589
PNG
(4-[5-(4-Methoxy-phenyl)-3-trifluoromethyl-pyrazol-...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O3S/c1-26-13-6-2-11(3-7-13)15-10-16(17(18,19)20)22-23(15)12-4-8-14(9-5-12)27(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 2.57E+3n/an/an/an/an/an/a



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
Ras-related protein Rab-2A.


(Canis lupus familiaris)
BDBM54634
PNG
(4-[5-(4-methoxyphenyl)-3-phenyl-1-pyrazolyl]benzen...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C22H19N3O3S/c1-28-19-11-7-17(8-12-19)22-15-21(16-5-3-2-4-6-16)24-25(22)18-9-13-20(14-10-18)29(23,26)27/h2-15H,1H3,(H2,23,26,27)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JC6
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens)
BDBM54634
PNG
(4-[5-(4-methoxyphenyl)-3-phenyl-1-pyrazolyl]benzen...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C22H19N3O3S/c1-28-19-11-7-17(8-12-19)22-15-21(16-5-3-2-4-6-16)24-25(22)18-9-13-20(14-10-18)29(23,26)27/h2-15H,1H3,(H2,23,26,27)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2KK9971
More data for this
Ligand-Target Pair