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Compile Data Set for Download or QSAR

Found 16 hits from Jamia Millia Islamia (A Central University)   
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
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50127140
PNG
((-)-etoposide | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-d...)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12
Show InChI InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1
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Article
PubMed
n/an/a 5.95E+4n/an/an/an/an/an/a



Jamia Millia Islamia (A Central University)



Assay Description
Relaxation of negatively supercoiled plasmid DNA by human topoisomerase IIα was assayed in 20 無 of reaction buffer (10 mM Tris-HCl, pH 7.9, 150...


Bioorg Chem 69: 77-90 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.001
BindingDB Entry DOI: 10.7270/Q21V5CS9
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM198132
PNG
(Ethyl 4-(3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-...)
Show SMILES CCOC(=O)C1C(CC(=CC1=O)c1cn(nc1-c1ccc(Cl)cc1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C29H24ClN3O3/c1-2-36-29(35)27-24(20-7-6-14-31-17-20)15-21(16-26(27)34)25-18-33(23-8-4-3-5-9-23)32-28(25)19-10-12-22(30)13-11-19/h3-14,16-18,24,27H,2,15H2,1H3
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n/an/a<1.00E+5n/an/an/an/an/an/a



Jamia Millia Islamia (A Central University)



Assay Description
Relaxation of negatively supercoiled plasmid DNA by human topoisomerase IIα was assayed in 20 無 of reaction buffer (10 mM Tris-HCl, pH 7.9, 150...


Bioorg Chem 69: 77-90 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.001
BindingDB Entry DOI: 10.7270/Q21V5CS9
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM198133
PNG
(Ethyl 4-(3-(3-bromophenyl)-1-phenyl-1H-pyrazol-4-y...)
Show SMILES CCOC(=O)C1C(CC(=CC1=O)c1cn(nc1-c1cccc(Br)c1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C29H24BrN3O3/c1-2-36-29(35)27-24(20-9-7-13-31-17-20)15-21(16-26(27)34)25-18-33(23-11-4-3-5-12-23)32-28(25)19-8-6-10-22(30)14-19/h3-14,16-18,24,27H,2,15H2,1H3
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n/an/a<1.00E+5n/an/an/an/an/an/a



Jamia Millia Islamia (A Central University)



Assay Description
Relaxation of negatively supercoiled plasmid DNA by human topoisomerase IIα was assayed in 20 無 of reaction buffer (10 mM Tris-HCl, pH 7.9, 150...


Bioorg Chem 69: 77-90 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.001
BindingDB Entry DOI: 10.7270/Q21V5CS9
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM198131
PNG
(Ethyl 4-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-...)
Show SMILES CCOC(=O)C1C(CC(=CC1=O)c1cn(nc1-c1ccc(F)cc1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C29H24FN3O3/c1-2-36-29(35)27-24(20-7-6-14-31-17-20)15-21(16-26(27)34)25-18-33(23-8-4-3-5-9-23)32-28(25)19-10-12-22(30)13-11-19/h3-14,16-18,24,27H,2,15H2,1H3
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n/an/a<1.00E+5n/an/an/an/an/an/a



Jamia Millia Islamia (A Central University)



Assay Description
Relaxation of negatively supercoiled plasmid DNA by human topoisomerase IIα was assayed in 20 無 of reaction buffer (10 mM Tris-HCl, pH 7.9, 150...


Bioorg Chem 69: 77-90 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.001
BindingDB Entry DOI: 10.7270/Q21V5CS9
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM198134
PNG
(Ethyl 4-(3-(3-bromophenyl)-1-phenyl-1H-pyrazol-4-y...)
Show SMILES CCOC(=O)C1C(CC(=CC1=O)c1cn(nc1-c1ccc(Br)cc1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C29H24BrN3O3/c1-2-36-29(35)27-24(20-7-6-14-31-17-20)15-21(16-26(27)34)25-18-33(23-8-4-3-5-9-23)32-28(25)19-10-12-22(30)13-11-19/h3-14,16-18,24,27H,2,15H2,1H3
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n/an/a<1.00E+5n/an/an/an/an/an/a



Jamia Millia Islamia (A Central University)



Assay Description
Relaxation of negatively supercoiled plasmid DNA by human topoisomerase IIα was assayed in 20 無 of reaction buffer (10 mM Tris-HCl, pH 7.9, 150...


Bioorg Chem 69: 77-90 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.001
BindingDB Entry DOI: 10.7270/Q21V5CS9
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM198135
PNG
(Ethyl 4-(3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-y...)
Show SMILES CCOC(=O)C1C(CC(=CC1=O)c1cn(nc1-c1cccc(c1)[N+]([O-])=O)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C29H24N4O5/c1-2-38-29(35)27-24(20-9-7-13-30-17-20)15-21(16-26(27)34)25-18-32(22-10-4-3-5-11-22)31-28(25)19-8-6-12-23(14-19)33(36)37/h3-14,16-18,24,27H,2,15H2,1H3
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n/an/a<1.00E+5n/an/an/an/an/an/a



Jamia Millia Islamia (A Central University)



Assay Description
Relaxation of negatively supercoiled plasmid DNA by human topoisomerase IIα was assayed in 20 無 of reaction buffer (10 mM Tris-HCl, pH 7.9, 150...


Bioorg Chem 69: 77-90 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.001
BindingDB Entry DOI: 10.7270/Q21V5CS9
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM198130
PNG
(Ethyl 4-(1,3-diphenyl-1H-Pyrazol-4-yl)-2-oxo-6-(py...)
Show SMILES CCOC(=O)C1C(CC(=CC1=O)c1cn(nc1-c1ccccc1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C29H25N3O3/c1-2-35-29(34)27-24(21-12-9-15-30-18-21)16-22(17-26(27)33)25-19-32(23-13-7-4-8-14-23)31-28(25)20-10-5-3-6-11-20/h3-15,17-19,24,27H,2,16H2,1H3
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n/an/a 2.22E+5n/an/an/an/an/an/a



Jamia Millia Islamia (A Central University)



Assay Description
Relaxation of negatively supercoiled plasmid DNA by human topoisomerase IIα was assayed in 20 無 of reaction buffer (10 mM Tris-HCl, pH 7.9, 150...


Bioorg Chem 69: 77-90 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.001
BindingDB Entry DOI: 10.7270/Q21V5CS9
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM198139
PNG
(5-(1,3-Diphenyl-1H-pyrazol-4-yl)-3-(pyridin-3-yl)-...)
Show SMILES NC(=S)N1N=C(CC1c1cn(nc1-c1ccccc1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C24H20N6S/c25-24(31)30-22(14-21(27-30)18-10-7-13-26-15-18)20-16-29(19-11-5-2-6-12-19)28-23(20)17-8-3-1-4-9-17/h1-13,15-16,22H,14H2,(H2,25,31)
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n/an/a 2.45E+5n/an/an/an/an/an/a



Jamia Millia Islamia (A Central University)



Assay Description
Relaxation of negatively supercoiled plasmid DNA by human topoisomerase IIα was assayed in 20 無 of reaction buffer (10 mM Tris-HCl, pH 7.9, 150...


Bioorg Chem 69: 77-90 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.001
BindingDB Entry DOI: 10.7270/Q21V5CS9
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM198136
PNG
(Ethyl 4-(3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-y...)
Show SMILES CCOC(=O)C1C(CC(=CC1=O)c1cn(nc1-c1ccc(cc1)[N+]([O-])=O)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C29H24N4O5/c1-2-38-29(35)27-24(20-7-6-14-30-17-20)15-21(16-26(27)34)25-18-32(22-8-4-3-5-9-22)31-28(25)19-10-12-23(13-11-19)33(36)37/h3-14,16-18,24,27H,2,15H2,1H3
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n/an/a 2.56E+5n/an/an/an/an/an/a



Jamia Millia Islamia (A Central University)



Assay Description
Relaxation of negatively supercoiled plasmid DNA by human topoisomerase IIα was assayed in 20 無 of reaction buffer (10 mM Tris-HCl, pH 7.9, 150...


Bioorg Chem 69: 77-90 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.001
BindingDB Entry DOI: 10.7270/Q21V5CS9
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM198140
PNG
(5-(3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-3-...)
Show SMILES NC(=S)N1N=C(CC1c1cn(nc1-c1ccc(F)cc1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C24H19FN6S/c25-18-10-8-16(9-11-18)23-20(15-30(29-23)19-6-2-1-3-7-19)22-13-21(28-31(22)24(26)32)17-5-4-12-27-14-17/h1-12,14-15,22H,13H2,(H2,26,32)
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n/an/a 2.72E+5n/an/an/an/an/an/a



Jamia Millia Islamia (A Central University)



Assay Description
Relaxation of negatively supercoiled plasmid DNA by human topoisomerase IIα was assayed in 20 無 of reaction buffer (10 mM Tris-HCl, pH 7.9, 150...


Bioorg Chem 69: 77-90 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.001
BindingDB Entry DOI: 10.7270/Q21V5CS9
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM198137
PNG
(Ethyl 2-oxo-4-(1-phenyl-3-p-tolyl-1H-pyrazol-4-yl)...)
Show SMILES CCOC(=O)C1C(CC(=CC1=O)c1cn(nc1-c1ccc(C)cc1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C30H27N3O3/c1-3-36-30(35)28-25(22-8-7-15-31-18-22)16-23(17-27(28)34)26-19-33(24-9-5-4-6-10-24)32-29(26)21-13-11-20(2)12-14-21/h4-15,17-19,25,28H,3,16H2,1-2H3
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n/an/a 3.95E+5n/an/an/an/an/an/a



Jamia Millia Islamia (A Central University)



Assay Description
Relaxation of negatively supercoiled plasmid DNA by human topoisomerase IIα was assayed in 20 無 of reaction buffer (10 mM Tris-HCl, pH 7.9, 150...


Bioorg Chem 69: 77-90 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.001
BindingDB Entry DOI: 10.7270/Q21V5CS9
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM198141
PNG
(5-(3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)-3-...)
Show SMILES NC(=S)N1N=C(CC1c1cn(nc1-c1ccc(Cl)cc1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C24H19ClN6S/c25-18-10-8-16(9-11-18)23-20(15-30(29-23)19-6-2-1-3-7-19)22-13-21(28-31(22)24(26)32)17-5-4-12-27-14-17/h1-12,14-15,22H,13H2,(H2,26,32)
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n/an/a 4.06E+5n/an/an/an/an/an/a



Jamia Millia Islamia (A Central University)



Assay Description
Relaxation of negatively supercoiled plasmid DNA by human topoisomerase IIα was assayed in 20 無 of reaction buffer (10 mM Tris-HCl, pH 7.9, 150...


Bioorg Chem 69: 77-90 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.001
BindingDB Entry DOI: 10.7270/Q21V5CS9
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM198138
PNG
(Ethyl 4-(3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4...)
Show SMILES CCOC(=O)C1C(CC(=CC1=O)c1cn(nc1-c1ccc(OC)cc1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C30H27N3O4/c1-3-37-30(35)28-25(21-8-7-15-31-18-21)16-22(17-27(28)34)26-19-33(23-9-5-4-6-10-23)32-29(26)20-11-13-24(36-2)14-12-20/h4-15,17-19,25,28H,3,16H2,1-2H3
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n/an/a 4.28E+5n/an/an/an/an/an/a



Jamia Millia Islamia (A Central University)



Assay Description
Relaxation of negatively supercoiled plasmid DNA by human topoisomerase IIα was assayed in 20 無 of reaction buffer (10 mM Tris-HCl, pH 7.9, 150...


Bioorg Chem 69: 77-90 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.001
BindingDB Entry DOI: 10.7270/Q21V5CS9
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM198144
PNG
(5-(3-(3-Nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)-3-(...)
Show SMILES NC(=S)N1N=C(CC1c1cn(nc1-c1cccc(c1)[N+]([O-])=O)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C24H19N7O2S/c25-24(34)30-22(13-21(27-30)17-7-5-11-26-14-17)20-15-29(18-8-2-1-3-9-18)28-23(20)16-6-4-10-19(12-16)31(32)33/h1-12,14-15,22H,13H2,(H2,25,34)
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n/an/a 4.45E+5n/an/an/an/an/an/a



Jamia Millia Islamia (A Central University)



Assay Description
Relaxation of negatively supercoiled plasmid DNA by human topoisomerase IIα was assayed in 20 無 of reaction buffer (10 mM Tris-HCl, pH 7.9, 150...


Bioorg Chem 69: 77-90 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.001
BindingDB Entry DOI: 10.7270/Q21V5CS9
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM198142
PNG
(5-(3-(3-Bromophenyl)-1-phenyl-1H-pyrazol-4-yl)-3-(...)
Show SMILES NC(=S)N1N=C(CC1c1cn(nc1-c1cccc(Br)c1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C24H19BrN6S/c25-18-8-4-6-16(12-18)23-20(15-30(29-23)19-9-2-1-3-10-19)22-13-21(28-31(22)24(26)32)17-7-5-11-27-14-17/h1-12,14-15,22H,13H2,(H2,26,32)
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n/an/a 4.57E+5n/an/an/an/an/an/a



Jamia Millia Islamia (A Central University)



Assay Description
Relaxation of negatively supercoiled plasmid DNA by human topoisomerase IIα was assayed in 20 無 of reaction buffer (10 mM Tris-HCl, pH 7.9, 150...


Bioorg Chem 69: 77-90 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.001
BindingDB Entry DOI: 10.7270/Q21V5CS9
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM198143
PNG
(5-(3-(4-Bromophenyl)-1-phenyl-1H-pyrazol-4-yl)-3-(...)
Show SMILES NC(=S)N1N=C(CC1c1cn(nc1-c1ccc(Br)cc1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C24H19BrN6S/c25-18-10-8-16(9-11-18)23-20(15-30(29-23)19-6-2-1-3-7-19)22-13-21(28-31(22)24(26)32)17-5-4-12-27-14-17/h1-12,14-15,22H,13H2,(H2,26,32)
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n/an/a 7.03E+5n/an/an/an/an/an/a



Jamia Millia Islamia (A Central University)



Assay Description
Relaxation of negatively supercoiled plasmid DNA by human topoisomerase IIα was assayed in 20 無 of reaction buffer (10 mM Tris-HCl, pH 7.9, 150...


Bioorg Chem 69: 77-90 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.001
BindingDB Entry DOI: 10.7270/Q21V5CS9
More data for this
Ligand-Target Pair