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PubMed code 21314246

Compile data set for download or QSAR
Found 16 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
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
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 90n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM235663
PNG
(3-[5-(2,4-Dichloro-phenyl)-[1,3,4]oxadiazol-2-yl]-...)
Show SMILES Clc1ccc(-c2nnc(o2)-c2cc3ccccc3oc2=O)c(Cl)c1
Show InChI InChI=1S/C17H8Cl2N2O3/c18-10-5-6-11(13(19)8-10)15-20-21-16(24-15)12-7-9-3-1-2-4-14(9)23-17(12)22/h1-8H
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n/an/a 400n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM235662
PNG
(3-(5-p-Tolyl-[1,3,4]oxadiazol-2-yl)-chromen-2-one ...)
Show SMILES Cc1ccc(cc1)-c1nnc(o1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C18H12N2O3/c1-11-6-8-12(9-7-11)16-19-20-17(23-16)14-10-13-4-2-3-5-15(13)22-18(14)21/h2-10H,1H3
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n/an/a 1.18E+3n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM235661
PNG
(3-[5-(4-Chloro-phenyl)-[1,3,4]oxadiazol-2-yl]-chro...)
Show SMILES Clc1ccc(cc1)-c1nnc(o1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C17H9ClN2O3/c18-12-7-5-10(6-8-12)15-19-20-16(23-15)13-9-11-3-1-2-4-14(11)22-17(13)21/h1-9H
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n/an/a 1.20E+3n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM235660
PNG
(3-(5-Phenyl-[1,3,4]oxadiazol-2-yl)-chromen-2-one (...)
Show SMILES O=c1oc2ccccc2cc1-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C17H10N2O3/c20-17-13(10-12-8-4-5-9-14(12)21-17)16-19-18-15(22-16)11-6-2-1-3-7-11/h1-10H
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n/an/a 8.70E+3n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
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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n/an/a 3.05E+4n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM235661
PNG
(3-[5-(4-Chloro-phenyl)-[1,3,4]oxadiazol-2-yl]-chro...)
Show SMILES Clc1ccc(cc1)-c1nnc(o1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C17H9ClN2O3/c18-12-7-5-10(6-8-12)15-19-20-16(23-15)13-9-11-3-1-2-4-14(11)22-17(13)21/h1-9H
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n/an/a 3.50E+4n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM235665
PNG
(3-(5-o-Tolylamino-[1,3,4]oxadiazol-2-yl)-chromen-2...)
Show SMILES Cc1ccccc1Nc1nnc(o1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C18H13N3O3/c1-11-6-2-4-8-14(11)19-18-21-20-16(24-18)13-10-12-7-3-5-9-15(12)23-17(13)22/h2-10H,1H3,(H,19,21)
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n/an/a 3.66E+4n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM235663
PNG
(3-[5-(2,4-Dichloro-phenyl)-[1,3,4]oxadiazol-2-yl]-...)
Show SMILES Clc1ccc(-c2nnc(o2)-c2cc3ccccc3oc2=O)c(Cl)c1
Show InChI InChI=1S/C17H8Cl2N2O3/c18-10-5-6-11(13(19)8-10)15-20-21-16(24-15)12-7-9-3-1-2-4-14(9)23-17(12)22/h1-8H
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UniChem
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n/an/a 4.16E+4n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM235660
PNG
(3-(5-Phenyl-[1,3,4]oxadiazol-2-yl)-chromen-2-one (...)
Show SMILES O=c1oc2ccccc2cc1-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C17H10N2O3/c20-17-13(10-12-8-4-5-9-14(12)21-17)16-19-18-15(22-16)11-6-2-1-3-7-11/h1-10H
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n/an/a<1.00E+5n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM235662
PNG
(3-(5-p-Tolyl-[1,3,4]oxadiazol-2-yl)-chromen-2-one ...)
Show SMILES Cc1ccc(cc1)-c1nnc(o1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C18H12N2O3/c1-11-6-8-12(9-7-11)16-19-20-17(23-16)14-10-13-4-2-3-5-15(13)22-18(14)21/h2-10H,1H3
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n/an/a>1.00E+5n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM235666
PNG
(4-Chloro-N-[5-(2-oxo-2H-chromen-3-yl)-[1,3,4]oxadi...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1nnc(o1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C18H10ClN3O4/c19-12-7-5-10(6-8-12)15(23)20-18-22-21-16(26-18)13-9-11-3-1-2-4-14(11)25-17(13)24/h1-9H,(H,20,22,23)
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Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM235665
PNG
(3-(5-o-Tolylamino-[1,3,4]oxadiazol-2-yl)-chromen-2...)
Show SMILES Cc1ccccc1Nc1nnc(o1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C18H13N3O3/c1-11-6-2-4-8-14(11)19-18-21-20-16(24-18)13-10-12-7-3-5-9-15(12)23-17(13)22/h2-10H,1H3,(H,19,21)
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Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM235664
PNG
(3-[5-(4-Chloro-phenylamino)-[1,3,4]oxadiazol-2-yl]...)
Show SMILES Clc1ccc(Nc2nnc(o2)-c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C17H10ClN3O3/c18-11-5-7-12(8-6-11)19-17-21-20-15(24-17)13-9-10-3-1-2-4-14(10)23-16(13)22/h1-9H,(H,19,21)
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Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM235664
PNG
(3-[5-(4-Chloro-phenylamino)-[1,3,4]oxadiazol-2-yl]...)
Show SMILES Clc1ccc(Nc2nnc(o2)-c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C17H10ClN3O3/c18-11-5-7-12(8-6-11)19-17-21-20-15(24-17)13-9-10-3-1-2-4-14(10)23-16(13)22/h1-9H,(H,19,21)
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n/an/a>1.00E+5n/an/an/an/a8.037



Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM235666
PNG
(4-Chloro-N-[5-(2-oxo-2H-chromen-3-yl)-[1,3,4]oxadi...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1nnc(o1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C18H10ClN3O4/c19-12-7-5-10(6-8-12)15(23)20-18-22-21-16(26-18)13-9-11-3-1-2-4-14(11)25-17(13)24/h1-9H,(H,20,22,23)
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Jamia Hamdard University



Assay Description
Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhib...


J Enzyme Inhib Med Chem 26: 767-76 (2011)


Article DOI: 10.3109/14756366.2010.550890
BindingDB Entry DOI: 10.7270/Q21J98NP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%