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Compile Data Set for Download or QSAR

Found 75 hits with Last Name = 'abdel-aziz' and Initial = 'm'   
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
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50142519
PNG
(CHEMBL47027 | N-[2-(3,4,5-triihydroxy-benzoylamino...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)Nc1ccccc1NC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C20H16N2O8/c23-13-5-9(6-14(24)17(13)27)19(29)21-11-3-1-2-4-12(11)22-20(30)10-7-15(25)18(28)16(26)8-10/h1-8,23-28H,(H,21,29)(H,22,30)
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400n/an/an/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of relaxation activities of DNA topoisomerase I with respect to pBR322 DNA


Bioorg Med Chem Lett 14: 1669-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.060
BindingDB Entry DOI: 10.7270/Q2GX4B0X
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50142519
PNG
(CHEMBL47027 | N-[2-(3,4,5-triihydroxy-benzoylamino...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)Nc1ccccc1NC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C20H16N2O8/c23-13-5-9(6-14(24)17(13)27)19(29)21-11-3-1-2-4-12(11)22-20(30)10-7-15(25)18(28)16(26)8-10/h1-8,23-28H,(H,21,29)(H,22,30)
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7.41E+4n/an/an/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of relaxation activities of DNA topoisomerase II with respect to pBR322 DNA


Bioorg Med Chem Lett 14: 1669-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.060
BindingDB Entry DOI: 10.7270/Q2GX4B0X
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50142519
PNG
(CHEMBL47027 | N-[2-(3,4,5-triihydroxy-benzoylamino...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)Nc1ccccc1NC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C20H16N2O8/c23-13-5-9(6-14(24)17(13)27)19(29)21-11-3-1-2-4-12(11)22-20(30)10-7-15(25)18(28)16(26)8-10/h1-8,23-28H,(H,21,29)(H,22,30)
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n/an/a 9n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration against relaxation activity of DNA topoisomerase II by detecting the conversion of supercoiled pBR322 DNA to its relaxed for...


Bioorg Med Chem Lett 14: 1669-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.060
BindingDB Entry DOI: 10.7270/Q2GX4B0X
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM13065
PNG
(5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluor...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3
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n/an/a 66n/an/an/an/an/an/a



Minia University



Assay Description
COX fluorescent inhibitor screening assay kit (catalog number 700100, Cayman chemical, Ann Arbour, MI, USA) has been employed to investigate the isoz...


Bioorg Chem 69: 48-63 (2016)


Article DOI: 10.1016/j.bioorg.2016.09.005
BindingDB Entry DOI: 10.7270/Q21J98KS
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50029600
PNG
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1
Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3
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n/an/a 70n/an/an/an/an/an/a



Minia University



Assay Description
COX fluorescent inhibitor screening assay kit (catalog number 700100, Cayman chemical, Ann Arbour, MI, USA) has been employed to investigate the isoz...


Bioorg Chem 69: 48-63 (2016)


Article DOI: 10.1016/j.bioorg.2016.09.005
BindingDB Entry DOI: 10.7270/Q21J98KS
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50142517
PNG
(CHEMBL47885 | N-[4-(3,4,5-triihydroxy-benzoylamino...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)Nc1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1
Show InChI InChI=1S/C20H16N2O8/c23-13-5-9(6-14(24)17(13)27)19(29)21-11-1-2-12(4-3-11)22-20(30)10-7-15(25)18(28)16(26)8-10/h1-8,23-28H,(H,21,29)(H,22,30)
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n/an/a 150n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration against relaxation activity of DNA topoisomerase II by detecting the conversion of supercoiled pBR322 DNA to its relaxed for...


Bioorg Med Chem Lett 14: 1669-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.060
BindingDB Entry DOI: 10.7270/Q2GX4B0X
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase


(Oryctolagus cuniculus)
BDBM50439262
PNG
(CHEMBL2419244)
Show SMILES CC(C)(C)C(=O)OC1(CCCCC1)N=O
Show InChI InChI=1S/C11H19NO3/c1-10(2,3)9(13)15-11(12-14)7-5-4-6-8-11/h4-8H2,1-3H3
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n/an/a 150n/an/an/an/an/an/a



Wake Forest University

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle GAPDH assessed as residual enzyme activity after 60 mins by spectrophotometry


J Med Chem 56: 6583-92 (2013)


Article DOI: 10.1021/jm400057r
BindingDB Entry DOI: 10.7270/Q2PV6MSG
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase


(Oryctolagus cuniculus)
BDBM50439263
PNG
(1-NITROSOCYCLOHEXYL ACETATE)
Show SMILES CC(=O)OC1(CCCCC1)N=O
Show InChI InChI=1S/C8H13NO3/c1-7(10)12-8(9-11)5-3-2-4-6-8/h2-6H2,1H3
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Wake Forest University

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle GAPDH assessed as residual enzyme activity after 60 mins by spectrophotometry


J Med Chem 56: 6583-92 (2013)


Article DOI: 10.1021/jm400057r
BindingDB Entry DOI: 10.7270/Q2PV6MSG
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50142507
PNG
(CHEMBL47526 | N-[3-(3,4,5-triihydroxy-benzoylamino...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)Nc1cccc(NC(=O)c2cc(O)c(O)c(O)c2)c1
Show InChI InChI=1S/C20H16N2O8/c23-13-4-9(5-14(24)17(13)27)19(29)21-11-2-1-3-12(8-11)22-20(30)10-6-15(25)18(28)16(26)7-10/h1-8,23-28H,(H,21,29)(H,22,30)
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n/an/a 220n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration against relaxation activity of DNA topoisomerase II by detecting the conversion of supercoiled pBR322 DNA to its relaxed for...


Bioorg Med Chem Lett 14: 1669-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.060
BindingDB Entry DOI: 10.7270/Q2GX4B0X
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50021511
PNG
(CHEMBL3290197)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(nc1-c1ccccc1)C(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C22H16N6O3S2/c23-33(30,31)16-12-10-15(11-13-16)28-20(14-6-2-1-3-7-14)25-19(27-28)21(29)26-22-24-17-8-4-5-9-18(17)32-22/h1-13H,(H2,23,30,31)(H,24,26,29)
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n/an/a 380n/an/an/an/an/an/a



Minia University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 using ADHP as substrate after 20 mins by fluorescence assay


Eur J Med Chem 83: 398-408 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.049
BindingDB Entry DOI: 10.7270/Q24F1S98
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase


(Oryctolagus cuniculus)
BDBM50439264
PNG
(ANGELI'S SALT | Angeli''s Salt)
Show SMILES [O-]N([O-])N=O
Show InChI InChI=1S/N2O3/c3-1-2(4)5/q-2
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n/an/a 400n/an/an/an/an/an/a



Wake Forest University

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle GAPDH assessed as residual enzyme activity after 60 mins by spectrophotometry


J Med Chem 56: 6583-92 (2013)


Article DOI: 10.1021/jm400057r
BindingDB Entry DOI: 10.7270/Q2PV6MSG
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50021510
PNG
(CHEMBL3290199)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(nc1-c1ccccc1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H16ClN5O3S/c22-15-6-8-16(9-7-15)24-21(28)19-25-20(14-4-2-1-3-5-14)27(26-19)17-10-12-18(13-11-17)31(23,29)30/h1-13H,(H,24,28)(H2,23,29,30)
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n/an/a 470n/an/an/an/an/an/a



Minia University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 using ADHP as substrate after 20 mins by fluorescence assay


Eur J Med Chem 83: 398-408 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.049
BindingDB Entry DOI: 10.7270/Q24F1S98
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
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 600n/an/an/an/an/an/a



Minia University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as prostaglandin F2alpha level


Eur J Med Chem 77: 155-65 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.001
BindingDB Entry DOI: 10.7270/Q2M32X8R
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50021505
PNG
(CHEMBL3290204)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(nc1-c1ccccc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C21H23N5O3S/c22-30(28,29)18-13-11-17(12-14-18)26-20(15-7-3-1-4-8-15)24-19(25-26)21(27)23-16-9-5-2-6-10-16/h1,3-4,7-8,11-14,16H,2,5-6,9-10H2,(H,23,27)(H2,22,28,29)
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n/an/a 660n/an/an/an/an/an/a



Minia University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 using ADHP as substrate after 20 mins by fluorescence assay


Eur J Med Chem 83: 398-408 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.049
BindingDB Entry DOI: 10.7270/Q24F1S98
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase


(Oryctolagus cuniculus)
BDBM50439261
PNG
(1-NITROSOCYCLOHEXYL TRIFLUOROACETATE)
Show SMILES FC(F)(F)C(=O)OC1(CCCCC1)N=O
Show InChI InChI=1S/C8H10F3NO3/c9-8(10,11)6(13)15-7(12-14)4-2-1-3-5-7/h1-5H2
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n/an/a 670n/an/an/an/an/an/a



Wake Forest University

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle GAPDH assessed as residual enzyme activity after 60 mins by spectrophotometry


J Med Chem 56: 6583-92 (2013)


Article DOI: 10.1021/jm400057r
BindingDB Entry DOI: 10.7270/Q2PV6MSG
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM202550
PNG
(N-{4-[(1Z)-1-(hydroxyimino)ethyl]phenyl}-2-{[5-(3,...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nnc(SCC(=O)Nc2ccc(cc2)C(\C)=N/O)o1
Show InChI InChI=1S/C21H22N4O6S/c1-12(25-27)13-5-7-15(8-6-13)22-18(26)11-32-21-24-23-20(31-21)14-9-16(28-2)19(30-4)17(10-14)29-3/h5-10,27H,11H2,1-4H3,(H,22,26)/b25-12-
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n/an/a 750n/an/an/an/an/an/a



Minia University



Assay Description
COX fluorescent inhibitor screening assay kit (catalog number 700100, Cayman chemical, Ann Arbour, MI, USA) has been employed to investigate the isoz...


Bioorg Chem 69: 48-63 (2016)


Article DOI: 10.1016/j.bioorg.2016.09.005
BindingDB Entry DOI: 10.7270/Q21J98KS
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50021508
PNG
(CHEMBL3290201)
Show SMILES COc1ccc(NC(=O)c2nc(-c3ccccc3)n(n2)-c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C22H19N5O4S/c1-31-18-11-7-16(8-12-18)24-22(28)20-25-21(15-5-3-2-4-6-15)27(26-20)17-9-13-19(14-10-17)32(23,29)30/h2-14H,1H3,(H,24,28)(H2,23,29,30)
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n/an/a 890n/an/an/an/an/an/a



Minia University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 using ADHP as substrate after 20 mins by fluorescence assay


Eur J Med Chem 83: 398-408 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.049
BindingDB Entry DOI: 10.7270/Q24F1S98
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Homo sapiens (Human))
BDBM50142519
PNG
(CHEMBL47027 | N-[2-(3,4,5-triihydroxy-benzoylamino...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)Nc1ccccc1NC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C20H16N2O8/c23-13-5-9(6-14(24)17(13)27)19(29)21-11-3-1-2-4-12(11)22-20(30)10-7-15(25)18(28)16(26)8-10/h1-8,23-28H,(H,21,29)(H,22,30)
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n/an/a 900n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration against relaxation activity of DNA topoisomerase I by detecting the conversion of supercoiled pBR322 DNA to its relaxed form


Bioorg Med Chem Lett 14: 1669-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.060
BindingDB Entry DOI: 10.7270/Q2GX4B0X
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM202549
PNG
(N-{4-[(1Z)-1-(hydroxyimino)ethyl]phenyl}-2-{[5-(4-...)
Show SMILES COc1ccc(cc1)-c1nnc(SCC(=O)Nc2ccc(cc2)C(\C)=N/O)o1
Show InChI InChI=1S/C19H18N4O4S/c1-12(23-25)13-3-7-15(8-4-13)20-17(24)11-28-19-22-21-18(27-19)14-5-9-16(26-2)10-6-14/h3-10,25H,11H2,1-2H3,(H,20,24)/b23-12-
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n/an/a 980n/an/an/an/an/an/a



Minia University



Assay Description
COX fluorescent inhibitor screening assay kit (catalog number 700100, Cayman chemical, Ann Arbour, MI, USA) has been employed to investigate the isoz...


Bioorg Chem 69: 48-63 (2016)


Article DOI: 10.1016/j.bioorg.2016.09.005
BindingDB Entry DOI: 10.7270/Q21J98KS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM202547
PNG
(N-(4-acetylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-...)
Show SMILES CC(=O)c1ccc(NC(=O)CSc2nnc(o2)-c2ccccc2)cc1
Show InChI InChI=1S/C18H15N3O3S/c1-12(22)13-7-9-15(10-8-13)19-16(23)11-25-18-21-20-17(24-18)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,19,23)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Minia University



Assay Description
COX fluorescent inhibitor screening assay kit (catalog number 700100, Cayman chemical, Ann Arbour, MI, USA) has been employed to investigate the isoz...


Bioorg Chem 69: 48-63 (2016)


Article DOI: 10.1016/j.bioorg.2016.09.005
BindingDB Entry DOI: 10.7270/Q21J98KS
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50021509
PNG
(CHEMBL3290200)
Show SMILES COc1ccc(NC(=O)c2nc(-c3ccccc3)n(n2)-c2ccc(cc2)S(N)(=O)=O)cc1OC
Show InChI InChI=1S/C23H21N5O5S/c1-32-19-13-8-16(14-20(19)33-2)25-23(29)21-26-22(15-6-4-3-5-7-15)28(27-21)17-9-11-18(12-10-17)34(24,30)31/h3-14H,1-2H3,(H,25,29)(H2,24,30,31)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Minia University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 using ADHP as substrate after 20 mins by fluorescence assay


Eur J Med Chem 83: 398-408 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.049
BindingDB Entry DOI: 10.7270/Q24F1S98
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50142517
PNG
(CHEMBL47885 | N-[4-(3,4,5-triihydroxy-benzoylamino...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)Nc1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1
Show InChI InChI=1S/C20H16N2O8/c23-13-5-9(6-14(24)17(13)27)19(29)21-11-1-2-12(4-3-11)22-20(30)10-7-15(25)18(28)16(26)8-10/h1-8,23-28H,(H,21,29)(H,22,30)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration against relaxation activity of DNA topoisomerase I by detecting the conversion of supercoiled pBR322 DNA to its relaxed form


Bioorg Med Chem Lett 14: 1669-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.060
BindingDB Entry DOI: 10.7270/Q2GX4B0X
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50142507
PNG
(CHEMBL47526 | N-[3-(3,4,5-triihydroxy-benzoylamino...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)Nc1cccc(NC(=O)c2cc(O)c(O)c(O)c2)c1
Show InChI InChI=1S/C20H16N2O8/c23-13-4-9(5-14(24)17(13)27)19(29)21-11-2-1-3-12(8-11)22-20(30)10-6-15(25)18(28)16(26)7-10/h1-8,23-28H,(H,21,29)(H,22,30)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration against relaxation activity of DNA topoisomerase I by detecting the conversion of supercoiled pBR322 DNA to its relaxed form


Bioorg Med Chem Lett 14: 1669-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.060
BindingDB Entry DOI: 10.7270/Q2GX4B0X
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50021506
PNG
(CHEMBL3290202)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(nc1-c1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C22H19N5O3S/c23-31(29,30)19-13-11-18(12-14-19)27-21(17-9-5-2-6-10-17)25-20(26-27)22(28)24-15-16-7-3-1-4-8-16/h1-14H,15H2,(H,24,28)(H2,23,29,30)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Minia University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 using ADHP as substrate after 20 mins by fluorescence assay


Eur J Med Chem 83: 398-408 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.049
BindingDB Entry DOI: 10.7270/Q24F1S98
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50021507
PNG
(CHEMBL3290203)
Show SMILES Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(n2)-c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C22H19N5O3S/c1-15-7-9-17(10-8-15)24-22(28)20-25-21(16-5-3-2-4-6-16)27(26-20)18-11-13-19(14-12-18)31(23,29)30/h2-14H,1H3,(H,24,28)(H2,23,29,30)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Minia University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 using ADHP as substrate after 20 mins by fluorescence assay


Eur J Med Chem 83: 398-408 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.049
BindingDB Entry DOI: 10.7270/Q24F1S98
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50029593
PNG
(CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Minia University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 assessed as prostaglandin F2alpha level


Eur J Med Chem 77: 155-65 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.001
BindingDB Entry DOI: 10.7270/Q2M32X8R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM202550
PNG
(N-{4-[(1Z)-1-(hydroxyimino)ethyl]phenyl}-2-{[5-(3,...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nnc(SCC(=O)Nc2ccc(cc2)C(\C)=N/O)o1
Show InChI InChI=1S/C21H22N4O6S/c1-12(25-27)13-5-7-15(8-6-13)22-18(26)11-32-21-24-23-20(31-21)14-9-16(28-2)19(30-4)17(10-14)29-3/h5-10,27H,11H2,1-4H3,(H,22,26)/b25-12-
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n/an/a 2.12E+3n/an/an/an/an/an/a



Minia University



Assay Description
COX fluorescent inhibitor screening assay kit (catalog number 700100, Cayman chemical, Ann Arbour, MI, USA) has been employed to investigate the isoz...


Bioorg Chem 69: 48-63 (2016)


Article DOI: 10.1016/j.bioorg.2016.09.005
BindingDB Entry DOI: 10.7270/Q21J98KS
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50142526
PNG
(CHEMBL44765 | N-[4-(3,4-dihydroxy-benzoylamino)-ph...)
Show SMILES Oc1ccc(cc1O)C(=O)Nc1ccc(NC(=O)c2ccc(O)c(O)c2)cc1
Show InChI InChI=1S/C20H16N2O6/c23-15-7-1-11(9-17(15)25)19(27)21-13-3-5-14(6-4-13)22-20(28)12-2-8-16(24)18(26)10-12/h1-10,23-26H,(H,21,27)(H,22,28)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration against relaxation activity of DNA topoisomerase I by detecting the conversion of supercoiled pBR322 DNA to its relaxed form


Bioorg Med Chem Lett 14: 1669-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.060
BindingDB Entry DOI: 10.7270/Q2GX4B0X
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM202549
PNG
(N-{4-[(1Z)-1-(hydroxyimino)ethyl]phenyl}-2-{[5-(4-...)
Show SMILES COc1ccc(cc1)-c1nnc(SCC(=O)Nc2ccc(cc2)C(\C)=N/O)o1
Show InChI InChI=1S/C19H18N4O4S/c1-12(23-25)13-3-7-15(8-4-13)20-17(24)11-28-19-22-21-18(27-19)14-5-9-16(26-2)10-6-14/h3-10,25H,11H2,1-2H3,(H,20,24)/b23-12-
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n/an/a 3.30E+3n/an/an/an/an/an/a



Minia University



Assay Description
COX fluorescent inhibitor screening assay kit (catalog number 700100, Cayman chemical, Ann Arbour, MI, USA) has been employed to investigate the isoz...


Bioorg Chem 69: 48-63 (2016)


Article DOI: 10.1016/j.bioorg.2016.09.005
BindingDB Entry DOI: 10.7270/Q21J98KS
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50142529
PNG
(Acetic acid 2,3-diacetoxy-5-[2-(3,4,5-triacetoxy-b...)
Show SMILES CC(=O)Oc1cc(cc(OC(C)=O)c1OC(C)=O)C(=O)Nc1ccccc1NC(=O)c1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1
Show InChI InChI=1S/C32H28N2O14/c1-15(35)43-25-11-21(12-26(44-16(2)36)29(25)47-19(5)39)31(41)33-23-9-7-8-10-24(23)34-32(42)22-13-27(45-17(3)37)30(48-20(6)40)28(14-22)46-18(4)38/h7-14H,1-6H3,(H,33,41)(H,34,42)
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n/an/a 4.70E+3n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration against relaxation activity of DNA topoisomerase I by detecting the conversion of supercoiled pBR322 DNA to its relaxed form


Bioorg Med Chem Lett 14: 1669-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.060
BindingDB Entry DOI: 10.7270/Q2GX4B0X
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50142509
PNG
(CHEMBL44441 | N-[2-(3,4-dihydroxy-benzoylamino)-ph...)
Show SMILES Oc1ccc(cc1O)C(=O)Nc1ccccc1NC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C20H16N2O6/c23-15-7-5-11(9-17(15)25)19(27)21-13-3-1-2-4-14(13)22-20(28)12-6-8-16(24)18(26)10-12/h1-10,23-26H,(H,21,27)(H,22,28)
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n/an/a 6.40E+3n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration against relaxation activity of DNA topoisomerase I by detecting the conversion of supercoiled pBR322 DNA to its relaxed form


Bioorg Med Chem Lett 14: 1669-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.060
BindingDB Entry DOI: 10.7270/Q2GX4B0X
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM202547
PNG
(N-(4-acetylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-...)
Show SMILES CC(=O)c1ccc(NC(=O)CSc2nnc(o2)-c2ccccc2)cc1
Show InChI InChI=1S/C18H15N3O3S/c1-12(22)13-7-9-15(10-8-13)19-16(23)11-25-18-21-20-17(24-18)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,19,23)
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n/an/a 7.10E+3n/an/an/an/an/an/a



Minia University



Assay Description
COX fluorescent inhibitor screening assay kit (catalog number 700100, Cayman chemical, Ann Arbour, MI, USA) has been employed to investigate the isoz...


Bioorg Chem 69: 48-63 (2016)


Article DOI: 10.1016/j.bioorg.2016.09.005
BindingDB Entry DOI: 10.7270/Q21J98KS
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50142528
PNG
(CHEMBL296351 | N-Benzothiazol-2-yl-3,4,5-trihydrox...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C14H10N2O4S/c17-9-5-7(6-10(18)12(9)19)13(20)16-14-15-8-3-1-2-4-11(8)21-14/h1-6,17-19H,(H,15,16,20)
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n/an/a 8.20E+3n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration against relaxation activity of DNA topoisomerase I by detecting the conversion of supercoiled pBR322 DNA to its relaxed form


Bioorg Med Chem Lett 14: 1669-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.060
BindingDB Entry DOI: 10.7270/Q2GX4B0X
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50142514
PNG
(Acetic acid 2,3-diacetoxy-5-[4-(3,4,5-triacetoxy-b...)
Show SMILES CC(=O)Oc1cc(cc(OC(C)=O)c1OC(C)=O)C(=O)Nc1ccc(NC(=O)c2cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2)cc1
Show InChI InChI=1S/C32H28N2O14/c1-15(35)43-25-11-21(12-26(44-16(2)36)29(25)47-19(5)39)31(41)33-23-7-9-24(10-8-23)34-32(42)22-13-27(45-17(3)37)30(48-20(6)40)28(14-22)46-18(4)38/h7-14H,1-6H3,(H,33,41)(H,34,42)
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n/an/a 8.60E+3n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration against relaxation activity of DNA topoisomerase I by detecting the conversion of supercoiled pBR322 DNA to its relaxed form


Bioorg Med Chem Lett 14: 1669-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.060
BindingDB Entry DOI: 10.7270/Q2GX4B0X
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM202548
PNG
(N-(4-acetylphenyl)-2-{[5-(4-chlorophenyl)-1,3,4-ox...)
Show SMILES CC(=O)c1ccc(NC(=O)CSc2nnc(o2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H14ClN3O3S/c1-11(23)12-4-8-15(9-5-12)20-16(24)10-26-18-22-21-17(25-18)13-2-6-14(19)7-3-13/h2-9H,10H2,1H3,(H,20,24)
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n/an/a 8.90E+3n/an/an/an/an/an/a



Minia University



Assay Description
COX fluorescent inhibitor screening assay kit (catalog number 700100, Cayman chemical, Ann Arbour, MI, USA) has been employed to investigate the isoz...


Bioorg Chem 69: 48-63 (2016)


Article DOI: 10.1016/j.bioorg.2016.09.005
BindingDB Entry DOI: 10.7270/Q21J98KS
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50142523
PNG
(CHEMBL297255 | N-[3-(3,4-dihydroxy-benzoylamino)-p...)
Show SMILES Oc1ccc(cc1O)C(=O)Nc1cccc(NC(=O)c2ccc(O)c(O)c2)c1
Show InChI InChI=1S/C20H16N2O6/c23-15-6-4-11(8-17(15)25)19(27)21-13-2-1-3-14(10-13)22-20(28)12-5-7-16(24)18(26)9-12/h1-10,23-26H,(H,21,27)(H,22,28)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration against relaxation activity of DNA topoisomerase I by detecting the conversion of supercoiled pBR322 DNA to its relaxed form


Bioorg Med Chem Lett 14: 1669-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.060
BindingDB Entry DOI: 10.7270/Q2GX4B0X
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM202548
PNG
(N-(4-acetylphenyl)-2-{[5-(4-chlorophenyl)-1,3,4-ox...)
Show SMILES CC(=O)c1ccc(NC(=O)CSc2nnc(o2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H14ClN3O3S/c1-11(23)12-4-8-15(9-5-12)20-16(24)10-26-18-22-21-17(25-18)13-2-6-14(19)7-3-13/h2-9H,10H2,1H3,(H,20,24)
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n/an/a 1.03E+4n/an/an/an/an/an/a



Minia University



Assay Description
COX fluorescent inhibitor screening assay kit (catalog number 700100, Cayman chemical, Ann Arbour, MI, USA) has been employed to investigate the isoz...


Bioorg Chem 69: 48-63 (2016)


Article DOI: 10.1016/j.bioorg.2016.09.005
BindingDB Entry DOI: 10.7270/Q21J98KS
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50142510
PNG
(Acetic acid 2,3-diacetoxy-5-[3-(3,4,5-triacetoxy-b...)
Show SMILES CC(=O)Oc1cc(cc(OC(C)=O)c1OC(C)=O)C(=O)Nc1cccc(NC(=O)c2cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2)c1
Show InChI InChI=1S/C32H28N2O14/c1-15(35)43-25-10-21(11-26(44-16(2)36)29(25)47-19(5)39)31(41)33-23-8-7-9-24(14-23)34-32(42)22-12-27(45-17(3)37)30(48-20(6)40)28(13-22)46-18(4)38/h7-14H,1-6H3,(H,33,41)(H,34,42)
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n/an/a 1.12E+4n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration against relaxation activity of DNA topoisomerase I by detecting the conversion of supercoiled pBR322 DNA to its relaxed form


Bioorg Med Chem Lett 14: 1669-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.060
BindingDB Entry DOI: 10.7270/Q2GX4B0X
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50021489
PNG
(CHEMBL3290205)
Show SMILES CC(C)NC(=O)c1nc(-c2ccccc2)n(n1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H19N5O3S/c1-12(2)20-18(24)16-21-17(13-6-4-3-5-7-13)23(22-16)14-8-10-15(11-9-14)27(19,25)26/h3-12H,1-2H3,(H,20,24)(H2,19,25,26)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Minia University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 using ADHP as substrate after 20 mins by fluorescence assay


Eur J Med Chem 83: 398-408 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.049
BindingDB Entry DOI: 10.7270/Q24F1S98
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50142515
PNG
(CHEMBL44747 | N-Benzothiazol-2-yl-3,4-dihydroxy-be...)
Show SMILES Oc1ccc(cc1O)C(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C14H10N2O3S/c17-10-6-5-8(7-11(10)18)13(19)16-14-15-9-3-1-2-4-12(9)20-14/h1-7,17-18H,(H,15,16,19)
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n/an/a 1.69E+4n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration against relaxation activity of DNA topoisomerase I by detecting the conversion of supercoiled pBR322 DNA to its relaxed form


Bioorg Med Chem Lett 14: 1669-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.060
BindingDB Entry DOI: 10.7270/Q2GX4B0X
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 1.85E+4n/an/an/an/an/an/a



Minia University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 assessed as prostaglandin F2alpha level


Eur J Med Chem 77: 155-65 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.001
BindingDB Entry DOI: 10.7270/Q2M32X8R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50142525
PNG
(CHEMBL47524 | N-(4,5-Dihydro-thiazol-2-yl)-3,4,5-t...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)NC1=NCCS1
Show InChI InChI=1S/C10H10N2O4S/c13-6-3-5(4-7(14)8(6)15)9(16)12-10-11-1-2-17-10/h3-4,13-15H,1-2H2,(H,11,12,16)
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n/an/a 3.44E+4n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration against relaxation activity of DNA topoisomerase I by detecting the conversion of supercoiled pBR322 DNA to its relaxed form


Bioorg Med Chem Lett 14: 1669-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.060
BindingDB Entry DOI: 10.7270/Q2GX4B0X
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50001297
PNG
(CHEMBL3237075)
Show SMILES COc1ccc(cc1)-n1nc(nc1-c1cc(OC)c(OC)c(OC)c1)C(=O)NN
Show InChI InChI=1S/C19H21N5O5/c1-26-13-7-5-12(6-8-13)24-18(21-17(23-24)19(25)22-20)11-9-14(27-2)16(29-4)15(10-11)28-3/h5-10H,20H2,1-4H3,(H,22,25)
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n/an/a 3.98E+4n/an/an/an/an/an/a



Minia University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as prostaglandin F2alpha level


Eur J Med Chem 77: 155-65 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.001
BindingDB Entry DOI: 10.7270/Q2M32X8R
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50142513
PNG
(Acetic acid 2-acetoxy-5-[3-(3,4-diacetoxy-benzoyla...)
Show SMILES CC(=O)Oc1ccc(cc1OC(C)=O)C(=O)Nc1cccc(NC(=O)c2ccc(OC(C)=O)c(OC(C)=O)c2)c1
Show InChI InChI=1S/C28H24N2O10/c1-15(31)37-23-10-8-19(12-25(23)39-17(3)33)27(35)29-21-6-5-7-22(14-21)30-28(36)20-9-11-24(38-16(2)32)26(13-20)40-18(4)34/h5-14H,1-4H3,(H,29,35)(H,30,36)
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n/an/a 4.32E+4n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration against relaxation activity of DNA topoisomerase I by detecting the conversion of supercoiled pBR322 DNA to its relaxed form


Bioorg Med Chem Lett 14: 1669-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.060
BindingDB Entry DOI: 10.7270/Q2GX4B0X
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50001252
PNG
(CHEMBL3236777)
Show SMILES CNC(=O)c1nc(-c2cc(OC)c(OC)c(OC)c2)n(n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C20H22N4O5/c1-21-20(25)18-22-19(24(23-18)13-6-8-14(26-2)9-7-13)12-10-15(27-3)17(29-5)16(11-12)28-4/h6-11H,1-5H3,(H,21,25)
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n/an/a 4.59E+4n/an/an/an/an/an/a



Minia University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as prostaglandin F2alpha level


Eur J Med Chem 77: 155-65 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.001
BindingDB Entry DOI: 10.7270/Q2M32X8R
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50001297
PNG
(CHEMBL3237075)
Show SMILES COc1ccc(cc1)-n1nc(nc1-c1cc(OC)c(OC)c(OC)c1)C(=O)NN
Show InChI InChI=1S/C19H21N5O5/c1-26-13-7-5-12(6-8-13)24-18(21-17(23-24)19(25)22-20)11-9-14(27-2)16(29-4)15(10-11)28-3/h5-10H,20H2,1-4H3,(H,22,25)
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n/an/a 4.63E+4n/an/an/an/an/an/a



Minia University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 assessed as prostaglandin F2alpha level


Eur J Med Chem 77: 155-65 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.001
BindingDB Entry DOI: 10.7270/Q2M32X8R
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50001252
PNG
(CHEMBL3236777)
Show SMILES CNC(=O)c1nc(-c2cc(OC)c(OC)c(OC)c2)n(n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C20H22N4O5/c1-21-20(25)18-22-19(24(23-18)13-6-8-14(26-2)9-7-13)12-10-15(27-3)17(29-5)16(11-12)28-4/h6-11H,1-5H3,(H,21,25)
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n/an/a 6.82E+4n/an/an/an/an/an/a



Minia University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 assessed as prostaglandin F2alpha level


Eur J Med Chem 77: 155-65 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.001
BindingDB Entry DOI: 10.7270/Q2M32X8R
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM202551
PNG
(N-(4-acetylphenyl)-2-[(5-{1-[4-(2-methylpropyl)phe...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nnc(SCC(=O)Nc2ccc(cc2)C(C)=O)o1
Show InChI InChI=1S/C24H27N3O3S/c1-15(2)13-18-5-7-19(8-6-18)16(3)23-26-27-24(30-23)31-14-22(29)25-21-11-9-20(10-12-21)17(4)28/h5-12,15-16H,13-14H2,1-4H3,(H,25,29)
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n/an/a 7.03E+4n/an/an/an/an/an/a



Minia University



Assay Description
COX fluorescent inhibitor screening assay kit (catalog number 700100, Cayman chemical, Ann Arbour, MI, USA) has been employed to investigate the isoz...


Bioorg Chem 69: 48-63 (2016)


Article DOI: 10.1016/j.bioorg.2016.09.005
BindingDB Entry DOI: 10.7270/Q21J98KS
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM202551
PNG
(N-(4-acetylphenyl)-2-[(5-{1-[4-(2-methylpropyl)phe...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nnc(SCC(=O)Nc2ccc(cc2)C(C)=O)o1
Show InChI InChI=1S/C24H27N3O3S/c1-15(2)13-18-5-7-19(8-6-18)16(3)23-26-27-24(30-23)31-14-22(29)25-21-11-9-20(10-12-21)17(4)28/h5-12,15-16H,13-14H2,1-4H3,(H,25,29)
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n/an/a 7.05E+4n/an/an/an/an/an/a



Minia University



Assay Description
COX fluorescent inhibitor screening assay kit (catalog number 700100, Cayman chemical, Ann Arbour, MI, USA) has been employed to investigate the isoz...


Bioorg Chem 69: 48-63 (2016)


Article DOI: 10.1016/j.bioorg.2016.09.005
BindingDB Entry DOI: 10.7270/Q21J98KS
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50142522
PNG
(Acetic acid 2-acetoxy-5-[2-(3,4-diacetoxy-benzoyla...)
Show SMILES CC(=O)Oc1ccc(cc1OC(C)=O)C(=O)Nc1ccccc1NC(=O)c1ccc(OC(C)=O)c(OC(C)=O)c1
Show InChI InChI=1S/C28H24N2O10/c1-15(31)37-23-11-9-19(13-25(23)39-17(3)33)27(35)29-21-7-5-6-8-22(21)30-28(36)20-10-12-24(38-16(2)32)26(14-20)40-18(4)34/h5-14H,1-4H3,(H,29,35)(H,30,36)
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n/an/a 8.80E+4n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration against relaxation activity of DNA topoisomerase I by detecting the conversion of supercoiled pBR322 DNA to its relaxed form


Bioorg Med Chem Lett 14: 1669-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.060
BindingDB Entry DOI: 10.7270/Q2GX4B0X
More data for this
Ligand-Target Pair
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