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PubMed code 18951238

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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PubMed
n/an/a 260n/an/an/an/an/an/a



University of Alexandria



Assay Description
The compounds that exhibited potent anti-inflammatory profiles were futher tested for their ability to inhibit human COX-1 and COX-2 enzymes in-vitro...


J Enzyme Inhib Med Chem 24: 296-309 (2009)


Article DOI: 10.1080/14756360802188404
BindingDB Entry DOI: 10.7270/Q2S1813W
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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PubMed
n/an/a<300n/an/an/an/an/an/a



University of Alexandria



Assay Description
The compounds that exhibited potent anti-inflammatory profiles were futher tested for their ability to inhibit human COX-1 and COX-2 enzymes in-vitro...


J Enzyme Inhib Med Chem 24: 296-309 (2009)


Article DOI: 10.1080/14756360802188404
BindingDB Entry DOI: 10.7270/Q2S1813W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (human))
BDBM91684
PNG
(Pyrazolyl benzenesulfonamide derivative, 9a)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(C#N)c(n1)-c1ccccc1
Show InChI InChI=1S/C16H12N4O2S/c17-10-13-11-20(19-16(13)12-4-2-1-3-5-12)14-6-8-15(9-7-14)23(18,21)22/h1-9,11H,(H2,18,21,22)
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n/an/a 780n/an/an/an/an/an/a



University of Alexandria



Assay Description
The compounds that exhibited potent anti-inflammatory profiles were futher tested for their ability to inhibit human COX-1 and COX-2 enzymes in-vitro...


J Enzyme Inhib Med Chem 24: 296-309 (2009)


Article DOI: 10.1080/14756360802188404
BindingDB Entry DOI: 10.7270/Q2S1813W
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM91685
PNG
(Pyrazolyl benzenesulfonamide derivative, 9b)
Show SMILES Cc1ccc(cc1)-c1nn(cc1C#N)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14N4O2S/c1-12-2-4-13(5-3-12)17-14(10-18)11-21(20-17)15-6-8-16(9-7-15)24(19,22)23/h2-9,11H,1H3,(H2,19,22,23)
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n/an/a 920n/an/an/an/an/an/a



University of Alexandria



Assay Description
The compounds that exhibited potent anti-inflammatory profiles were futher tested for their ability to inhibit human COX-1 and COX-2 enzymes in-vitro...


J Enzyme Inhib Med Chem 24: 296-309 (2009)


Article DOI: 10.1080/14756360802188404
BindingDB Entry DOI: 10.7270/Q2S1813W
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM91679
PNG
(Pyrazolyl benzenesulfonamide derivative, 7b)
Show SMILES Cc1ccc(cc1)-c1nn(cc1C(N)=O)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H16N4O3S/c1-11-2-4-12(5-3-11)16-15(17(18)22)10-21(20-16)13-6-8-14(9-7-13)25(19,23)24/h2-10H,1H3,(H2,18,22)(H2,19,23,24)
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n/an/a 1.26E+3n/an/an/an/an/an/a



University of Alexandria



Assay Description
The compounds that exhibited potent anti-inflammatory profiles were futher tested for their ability to inhibit human COX-1 and COX-2 enzymes in-vitro...


J Enzyme Inhib Med Chem 24: 296-309 (2009)


Article DOI: 10.1080/14756360802188404
BindingDB Entry DOI: 10.7270/Q2S1813W
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM91678
PNG
(Pyrazolyl benzenesulfonamide derivative, 7a)
Show SMILES NC(=O)c1cn(nc1-c1ccccc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H14N4O3S/c17-16(21)14-10-20(19-15(14)11-4-2-1-3-5-11)12-6-8-13(9-7-12)24(18,22)23/h1-10H,(H2,17,21)(H2,18,22,23)
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PubMed
n/an/a 1.35E+3n/an/an/an/an/an/a



University of Alexandria



Assay Description
The compounds that exhibited potent anti-inflammatory profiles were futher tested for their ability to inhibit human COX-1 and COX-2 enzymes in-vitro...


J Enzyme Inhib Med Chem 24: 296-309 (2009)


Article DOI: 10.1080/14756360802188404
BindingDB Entry DOI: 10.7270/Q2S1813W
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 2.63E+3n/an/an/an/an/an/a



University of Alexandria



Assay Description
The compounds that exhibited potent anti-inflammatory profiles were futher tested for their ability to inhibit human COX-1 and COX-2 enzymes in-vitro...


J Enzyme Inhib Med Chem 24: 296-309 (2009)


Article DOI: 10.1080/14756360802188404
BindingDB Entry DOI: 10.7270/Q2S1813W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (Human))
BDBM91679
PNG
(Pyrazolyl benzenesulfonamide derivative, 7b)
Show SMILES Cc1ccc(cc1)-c1nn(cc1C(N)=O)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H16N4O3S/c1-11-2-4-12(5-3-11)16-15(17(18)22)10-21(20-16)13-6-8-14(9-7-13)25(19,23)24/h2-10H,1H3,(H2,18,22)(H2,19,23,24)
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n/an/a 7.64E+4n/an/an/an/an/an/a



University of Alexandria



Assay Description
The compounds that exhibited potent anti-inflammatory profiles were futher tested for their ability to inhibit human COX-1 and COX-2 enzymes in-vitro...


J Enzyme Inhib Med Chem 24: 296-309 (2009)


Article DOI: 10.1080/14756360802188404
BindingDB Entry DOI: 10.7270/Q2S1813W
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM91678
PNG
(Pyrazolyl benzenesulfonamide derivative, 7a)
Show SMILES NC(=O)c1cn(nc1-c1ccccc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H14N4O3S/c17-16(21)14-10-20(19-15(14)11-4-2-1-3-5-11)12-6-8-13(9-7-12)24(18,22)23/h1-10H,(H2,17,21)(H2,18,22,23)
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PubMed
n/an/a 8.36E+4n/an/an/an/an/an/a



University of Alexandria



Assay Description
The compounds that exhibited potent anti-inflammatory profiles were futher tested for their ability to inhibit human COX-1 and COX-2 enzymes in-vitro...


J Enzyme Inhib Med Chem 24: 296-309 (2009)


Article DOI: 10.1080/14756360802188404
BindingDB Entry DOI: 10.7270/Q2S1813W
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM91685
PNG
(Pyrazolyl benzenesulfonamide derivative, 9b)
Show SMILES Cc1ccc(cc1)-c1nn(cc1C#N)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14N4O2S/c1-12-2-4-13(5-3-12)17-14(10-18)11-21(20-17)15-6-8-16(9-7-15)24(19,22)23/h2-9,11H,1H3,(H2,19,22,23)
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PubMed
n/an/a 9.42E+4n/an/an/an/an/an/a



University of Alexandria



Assay Description
The compounds that exhibited potent anti-inflammatory profiles were futher tested for their ability to inhibit human COX-1 and COX-2 enzymes in-vitro...


J Enzyme Inhib Med Chem 24: 296-309 (2009)


Article DOI: 10.1080/14756360802188404
BindingDB Entry DOI: 10.7270/Q2S1813W
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM91684
PNG
(Pyrazolyl benzenesulfonamide derivative, 9a)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(C#N)c(n1)-c1ccccc1
Show InChI InChI=1S/C16H12N4O2S/c17-10-13-11-20(19-16(13)12-4-2-1-3-5-12)14-6-8-15(9-7-14)23(18,21)22/h1-9,11H,(H2,18,21,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alexandria



Assay Description
The compounds that exhibited potent anti-inflammatory profiles were futher tested for their ability to inhibit human COX-1 and COX-2 enzymes in-vitro...


J Enzyme Inhib Med Chem 24: 296-309 (2009)


Article DOI: 10.1080/14756360802188404
BindingDB Entry DOI: 10.7270/Q2S1813W
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alexandria



Assay Description
The compounds that exhibited potent anti-inflammatory profiles were futher tested for their ability to inhibit human COX-1 and COX-2 enzymes in-vitro...


J Enzyme Inhib Med Chem 24: 296-309 (2009)


Article DOI: 10.1080/14756360802188404
BindingDB Entry DOI: 10.7270/Q2S1813W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%