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Compile Data Set for Download or QSAR

Found 266 hits for UniProtKB: Q02880   
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 II


(Homo sapiens (Human))
BDBM50366826
PNG
(DR-3355 | Floxacin | Iquix | LEVOFLOXACIN | Levaqu...)
Show SMILES C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O
Show InChI InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1
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2.49E+3n/an/an/an/an/an/an/an/a



Kansas University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor


J Med Chem 30: 2283-6 (1987)


Article DOI: 10.1021/jm00395a017
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50045000
PNG
((NFLX)1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1
Show InChI InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)
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3.13E+3n/an/an/an/an/an/an/an/a



Kansas University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor


J Med Chem 30: 2283-6 (1987)


Article DOI: 10.1021/jm00395a017
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50045004
PNG
(9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-ox...)
Show SMILES CC1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O
Show InChI InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)
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4.42E+3n/an/an/an/an/an/an/an/a



Kansas University

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone


J Med Chem 30: 2283-6 (1987)


Article DOI: 10.1021/jm00395a017
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))
BDBM50226409
PNG
(DEXTROFLOXACINE)
Show SMILES C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O
Show InChI InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m1/s1
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7.47E+4n/an/an/an/an/an/an/an/a



Kansas University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor


J Med Chem 30: 2283-6 (1987)


Article DOI: 10.1021/jm00395a017
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50366826
PNG
(DR-3355 | Floxacin | Iquix | LEVOFLOXACIN | Levaqu...)
Show SMILES C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O
Show InChI InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1
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9.96E+4n/an/an/an/an/an/an/an/a



Kansas University

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone


J Med Chem 30: 2283-6 (1987)


Article DOI: 10.1021/jm00395a017
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50045000
PNG
((NFLX)1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1
Show InChI InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)
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2.25E+5n/an/an/an/an/an/an/an/a



Kansas University

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone


J Med Chem 30: 2283-6 (1987)


Article DOI: 10.1021/jm00395a017
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50045004
PNG
(9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-ox...)
Show SMILES CC1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O
Show InChI InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)
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2.32E+5n/an/an/an/an/an/an/an/a



Kansas University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor


J Med Chem 30: 2283-6 (1987)


Article DOI: 10.1021/jm00395a017
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50226409
PNG
(DEXTROFLOXACINE)
Show SMILES C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O
Show InChI InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m1/s1
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2.90E+5n/an/an/an/an/an/an/an/a



Kansas University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor


J Med Chem 30: 2283-6 (1987)


Article DOI: 10.1021/jm00395a017
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50229974
PNG
(CHEMBL178077)
Show SMILES OC(=O)c1c2scc3COc4c(N5CCNCC5)c(F)cc(c4n23)c1=O
Show InChI InChI=1S/C17H14FN3O4S/c18-10-5-9-12-15(13(10)20-3-1-19-2-4-20)25-6-8-7-26-16(21(8)12)11(14(9)22)17(23)24/h5,7,19H,1-4,6H2,(H,23,24)
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n/an/a 0.170n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
The inhibitory activity was measured for the supercoiling activity of DNA gyrase isolated from Escherichia coli K-12 C600.


J Med Chem 35: 94-9 (1992)


Article DOI: 10.1021/jm00079a011
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 0.200n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
The inhibitory activity was measured for the supercoiling activity of DNA gyrase isolated from Escherichia coli K-12 C600.


J Med Chem 35: 94-9 (1992)


Article DOI: 10.1021/jm00079a011
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50229967
PNG
(CHEMBL263944)
Show SMILES NC1CCN(C1)c1c(F)cc2c3c1OCc1csc(c(C(O)=O)c2=O)n31
Show InChI InChI=1S/C17H14FN3O4S/c18-10-3-9-12-15(13(10)20-2-1-7(19)4-20)25-5-8-6-26-16(21(8)12)11(14(9)22)17(23)24/h3,6-7H,1-2,4-5,19H2,(H,23,24)
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n/an/a 0.25n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
The inhibitory activity was measured for the supercoiling activity of DNA gyrase isolated from Escherichia coli K-12 C600.


J Med Chem 35: 94-9 (1992)


Article DOI: 10.1021/jm00079a011
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50229970
PNG
(CHEMBL367876)
Show SMILES CC1CN(CCN1)c1c(F)cc2c3c1OCc1csc(c(C(O)=O)c2=O)n31
Show InChI InChI=1S/C18H16FN3O4S/c1-8-5-21(3-2-20-8)14-11(19)4-10-13-16(14)26-6-9-7-27-17(22(9)13)12(15(10)23)18(24)25/h4,7-8,20H,2-3,5-6H2,1H3,(H,24,25)
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n/an/a 0.310n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
The inhibitory activity was measured for the supercoiling activity of DNA gyrase isolated from Escherichia coli K-12 C600.


J Med Chem 35: 94-9 (1992)


Article DOI: 10.1021/jm00079a011
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50229969
PNG
(CHEMBL554645)
Show SMILES Cl.CN1CCN(CC1)c1c(F)cc2c3c1OCc1csc(c(C(O)=O)c2=O)n31
Show InChI InChI=1S/C18H16FN3O4S.ClH/c1-20-2-4-21(5-3-20)14-11(19)6-10-13-16(14)26-7-9-8-27-17(22(9)13)12(15(10)23)18(24)25;/h6,8H,2-5,7H2,1H3,(H,24,25);1H
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n/an/a 0.310n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
The inhibitory activity was measured for the supercoiling activity of DNA gyrase isolated from Escherichia coli K-12 C600.


J Med Chem 35: 94-9 (1992)


Article DOI: 10.1021/jm00079a011
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50229972
PNG
(CHEMBL174721)
Show SMILES OC1CCN(C1)c1c(F)cc2c3c1OCc1csc(c(C(O)=O)c2=O)n31
Show InChI InChI=1S/C17H13FN2O5S/c18-10-3-9-12-15(13(10)19-2-1-8(21)4-19)25-5-7-6-26-16(20(7)12)11(14(9)22)17(23)24/h3,6,8,21H,1-2,4-5H2,(H,23,24)
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n/an/a 0.350n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
The inhibitory activity was measured for the supercoiling activity of DNA gyrase isolated from Escherichia coli K-12 C600.


J Med Chem 35: 94-9 (1992)


Article DOI: 10.1021/jm00079a011
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50229966
PNG
(DESMETHYL-OFLOXACIN | Desmethyl-Ofloxacin (5%))
Show SMILES CC1COc2c(N3CCNCC3)c(F)cc3c2n1cc(C(O)=O)c3=O
Show InChI InChI=1S/C17H18FN3O4/c1-9-8-25-16-13-10(15(22)11(17(23)24)7-21(9)13)6-12(18)14(16)20-4-2-19-3-5-20/h6-7,9,19H,2-5,8H2,1H3,(H,23,24)
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n/an/a 0.590n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
The inhibitory activity was measured for the supercoiling activity of DNA gyrase isolated from Escherichia coli K-12 C600.


J Med Chem 35: 94-9 (1992)


Article DOI: 10.1021/jm00079a011
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50229965
PNG
(CHEMBL174892)
Show SMILES OC(=O)c1c2scc3COc4c(N5CCCC5)c(F)cc(c4n23)c1=O
Show InChI InChI=1S/C17H13FN2O4S/c18-10-5-9-12-15(13(10)19-3-1-2-4-19)24-6-8-7-25-16(20(8)12)11(14(9)21)17(22)23/h5,7H,1-4,6H2,(H,22,23)
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n/an/a 0.930n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
The inhibitory activity was measured for the supercoiling activity of DNA gyrase isolated from Escherichia coli K-12 C600.


J Med Chem 35: 94-9 (1992)


Article DOI: 10.1021/jm00079a011
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
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
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
DNA topoisomerase II


(Homo sapiens (Human))
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 905n/an/an/an/an/an/a



Sterling-Winthrop Research Institute

Curated by ChEMBL


Assay Description
Gyrase inhibitory activity against Escherichia coli


J Med Chem 31: 1694-7 (1988)


Article DOI: 10.1021/jm00117a005
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50227628
PNG
(CHEMBL47311)
Show SMILES CN1CCN(CC1)c1c(F)cc2c3c1OCC1(CC1)n3cc(C(O)=O)c2=O
Show InChI InChI=1S/C19H20FN3O4/c1-21-4-6-22(7-5-21)15-13(20)8-11-14-17(15)27-10-19(2-3-19)23(14)9-12(16(11)24)18(25)26/h8-9H,2-7,10H2,1H3,(H,25,26)
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n/an/a 2.67E+3n/an/an/an/an/an/a



Sterling-Winthrop Research Institute

Curated by ChEMBL


Assay Description
Gyrase inhibitory activity against Escherichia coli


J Med Chem 31: 1694-7 (1988)


Article DOI: 10.1021/jm00117a005
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50045004
PNG
(9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-ox...)
Show SMILES CC1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O
Show InChI InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)
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n/an/a 2.76E+3n/an/an/an/an/an/a



Sterling-Winthrop Research Institute

Curated by ChEMBL


Assay Description
Gyrase inhibitory activity against Escherichia coli


J Med Chem 31: 1694-7 (1988)


Article DOI: 10.1021/jm00117a005
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50366826
PNG
(DR-3355 | Floxacin | Iquix | LEVOFLOXACIN | Levaqu...)
Show SMILES C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O
Show InChI InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1
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n/an/a 2.76E+3n/an/an/an/an/an/a



Sterling-Winthrop Research Institute

Curated by ChEMBL


Assay Description
Gyrase inhibitory activity against Escherichia coli


J Med Chem 31: 1694-7 (1988)


Article DOI: 10.1021/jm00117a005
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50218559
PNG
(CHEMBL64993)
Show SMILES CC1OC(Oc2c(O)c3C(=O)c4ccccc4C(=O)c3c3cccnc23)C(F)C(O)C1O
Show InChI InChI=1S/C23H18FNO7/c1-9-17(26)21(30)15(24)23(31-9)32-22-16-12(7-4-8-25-16)13-14(20(22)29)19(28)11-6-3-2-5-10(11)18(13)27/h2-9,15,17,21,23,26,29-30H,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Institute of Bioorganic Chemistry

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against topoisomerase II


Bioorg Med Chem Lett 10: 203-7 (2000)


Article DOI: 10.1016/s0960-894x(99)00655-1
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50221011
PNG
(CHEMBL76485)
Show SMILES C[C@H]1COc2c(ccc3c2n1cc(C(O)=O)c3=O)N1CC[C@H](C1)C(C)(C)N
Show InChI InChI=1S/C20H25N3O4/c1-11-10-27-18-15(22-7-6-12(8-22)20(2,3)21)5-4-13-16(18)23(11)9-14(17(13)24)19(25)26/h4-5,9,11-12H,6-8,10,21H2,1-3H3,(H,25,26)/t11-,12+/m0/s1
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n/an/a 8.61E+3n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type gyrase in Escherichia coli


Bioorg Med Chem Lett 13: 2373-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00399-8
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50366826
PNG
(DR-3355 | Floxacin | Iquix | LEVOFLOXACIN | Levaqu...)
Show SMILES C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O
Show InChI InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1
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n/an/a 8.85E+3n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type gyrase in Escherichia coli


Bioorg Med Chem Lett 13: 2373-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00399-8
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50135927
PNG
(7-(4-{4-[(S)-5-(Acetylamino-methyl)-2-oxo-oxazolid...)
Show SMILES CCOC(=O)c1cn(CC)c2cc(N3CCN(CC3)C(=O)c3ccc(cc3F)N3C[C@H](CNC(C)=O)OC3=O)c(F)cc2c1=O
Show InChI InChI=1S/C31H33F2N5O7/c1-4-35-17-23(30(42)44-5-2)28(40)22-13-25(33)27(14-26(22)35)36-8-10-37(11-9-36)29(41)21-7-6-19(12-24(21)32)38-16-20(45-31(38)43)15-34-18(3)39/h6-7,12-14,17,20H,4-5,8-11,15-16H2,1-3H3,(H,34,39)/t20-/m0/s1
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n/an/a 1.25E+4n/an/an/an/an/an/a



Vicuron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli by Escherichia coli DNA gyrase gel-based supercoil assay


Bioorg Med Chem Lett 13: 4213-6 (2003)


Article DOI: 10.1016/j.bmcl.2003.07.021
BindingDB Entry DOI: 10.7270/Q2MP52PS
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50140290
PNG
(4-(3-(3,5-dioxopiperazin-1-yl)butan-2-yl)piperazin...)
Show SMILES CC(C(C)N1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1
Show InChI InChI=1S/C12H18N4O4/c1-7(15-3-9(17)13-10(18)4-15)8(2)16-5-11(19)14-12(20)6-16/h7-8H,3-6H2,1-2H3,(H,13,17,18)(H,14,19,20)
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n/an/a 1.39E+4n/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Inhibitory activity against human DNA topoisomerase II


Bioorg Med Chem Lett 14: 1193-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.048
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50221010
PNG
(CHEMBL79077)
Show SMILES C[C@H](N)[C@@H]1CCN(C1)c1ccc2c3c1OC[C@H](C)n3cc(C(O)=O)c2=O
Show InChI InChI=1S/C19H23N3O4/c1-10-9-26-18-15(21-6-5-12(7-21)11(2)20)4-3-13-16(18)22(10)8-14(17(13)23)19(24)25/h3-4,8,10-12H,5-7,9,20H2,1-2H3,(H,24,25)/t10-,11-,12+/m0/s1
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n/an/a 1.79E+4n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type gyrase in Escherichia coli


Bioorg Med Chem Lett 13: 2373-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00399-8
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50223903
PNG
(CHEMBL279101)
Show SMILES Oc1nc(nc2ccccc12)-c1cnc2ccccc2c1
Show InChI InChI=1S/C17H11N3O/c21-17-13-6-2-4-8-15(13)19-16(20-17)12-9-11-5-1-3-7-14(11)18-10-12/h1-10H,(H,19,20,21)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Inhibitory activity against human DNA topoisomerase II


Bioorg Med Chem Lett 14: 1193-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.048
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50223908
PNG
(CHEMBL19143)
Show SMILES Oc1nc(nc2ccccc12)C(=O)c1cnc2ccccc2c1
Show InChI InChI=1S/C18H11N3O2/c22-16(12-9-11-5-1-3-7-14(11)19-10-12)17-20-15-8-4-2-6-13(15)18(23)21-17/h1-10H,(H,20,21,23)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Inhibitory activity against human DNA topoisomerase II


Bioorg Med Chem Lett 14: 1193-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.048
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50223902
PNG
(CHEMBL18456)
Show SMILES Oc1nc(nc2ccccc12)C(=C)c1cnc2ccccc2c1
Show InChI InChI=1S/C19H13N3O/c1-12(14-10-13-6-2-4-8-16(13)20-11-14)18-21-17-9-5-3-7-15(17)19(23)22-18/h2-11H,1H2,(H,21,22,23)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Inhibitory activity against human DNA topoisomerase II


Bioorg Med Chem Lett 14: 1193-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.048
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50223904
PNG
(CHEMBL18395)
Show SMILES OC1c2cc3ccccc3nc2-c2nc3ccccc3c(=O)n12
Show InChI InChI=1S/C18H11N3O2/c22-17-11-6-2-4-8-14(11)20-16-15-12(18(23)21(16)17)9-10-5-1-3-7-13(10)19-15/h1-9,18,23H
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n/an/a 2.50E+4n/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Inhibitory activity against human DNA topoisomerase II


Bioorg Med Chem Lett 14: 1193-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.048
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50223905
PNG
(CHEMBL18544)
Show SMILES COC1c2cc3ccccc3nc2-c2nc3ccccc3c(=O)n12
Show InChI InChI=1S/C19H13N3O2/c1-24-19-13-10-11-6-2-4-8-14(11)20-16(13)17-21-15-9-5-3-7-12(15)18(23)22(17)19/h2-10,19H,1H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Inhibitory activity against human DNA topoisomerase II


Bioorg Med Chem Lett 14: 1193-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.048
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50223907
PNG
(CHEMBL19274)
Show SMILES CC(=O)NC1c2cc3ccccc3nc2-c2nc3ccccc3c(=O)n12
Show InChI InChI=1S/C20H14N4O2/c1-11(25)21-18-14-10-12-6-2-4-8-15(12)22-17(14)19-23-16-9-5-3-7-13(16)20(26)24(18)19/h2-10,18H,1H3,(H,21,25)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Inhibitory activity against human DNA topoisomerase II


Bioorg Med Chem Lett 14: 1193-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.048
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50223906
PNG
(LUOTONIN A)
Show SMILES O=c1n2Cc3cc4ccccc4nc3-c2nc2ccccc12
Show InChI InChI=1S/C18H11N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(10-21(17)18)9-11-5-1-3-7-14(11)19-16/h1-9H,10H2
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n/an/a 2.85E+4n/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Inhibitory activity against human DNA topoisomerase II


Bioorg Med Chem Lett 14: 1193-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.048
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50366826
PNG
(DR-3355 | Floxacin | Iquix | LEVOFLOXACIN | Levaqu...)
Show SMILES C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O
Show InChI InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1
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n/an/a 3.59E+4n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against quinolone resistant gyrase in Escherichia coli


Bioorg Med Chem Lett 13: 2373-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00399-8
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50221009
PNG
(CHEMBL309434)
Show SMILES C[C@H]1COc2c(ccc3c2n1cc(C(O)=O)c3=O)N1CCN(C)CC1
Show InChI InChI=1S/C18H21N3O4/c1-11-10-25-17-14(20-7-5-19(2)6-8-20)4-3-12-15(17)21(11)9-13(16(12)22)18(23)24/h3-4,9,11H,5-8,10H2,1-2H3,(H,23,24)/t11-/m0/s1
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n/an/a 9.02E+4n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type gyrase in Escherichia coli


Bioorg Med Chem Lett 13: 2373-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00399-8
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50221010
PNG
(CHEMBL79077)
Show SMILES C[C@H](N)[C@@H]1CCN(C1)c1ccc2c3c1OC[C@H](C)n3cc(C(O)=O)c2=O
Show InChI InChI=1S/C19H23N3O4/c1-10-9-26-18-15(21-6-5-12(7-21)11(2)20)4-3-13-16(18)22(10)8-14(17(13)23)19(24)25/h3-4,8,10-12H,5-7,9,20H2,1-2H3,(H,24,25)/t10-,11-,12+/m0/s1
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n/an/a 1.06E+5n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against mammalian DNA topoisomerase II


Bioorg Med Chem Lett 13: 2373-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00399-8
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50221010
PNG
(CHEMBL79077)
Show SMILES C[C@H](N)[C@@H]1CCN(C1)c1ccc2c3c1OC[C@H](C)n3cc(C(O)=O)c2=O
Show InChI InChI=1S/C19H23N3O4/c1-10-9-26-18-15(21-6-5-12(7-21)11(2)20)4-3-13-16(18)22(10)8-14(17(13)23)19(24)25/h3-4,8,10-12H,5-7,9,20H2,1-2H3,(H,24,25)/t10-,11-,12+/m0/s1
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n/an/a 1.42E+5n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against quinolone resistant gyrase in Escherichia coli


Bioorg Med Chem Lett 13: 2373-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00399-8
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50221008
PNG
(CHEMBL80587)
Show SMILES C[C@H]1COc2c(ccc3c2n1cc(C(O)=O)c3=O)N1CCC[C@H](N)C1
Show InChI InChI=1S/C18H21N3O4/c1-10-9-25-17-14(20-6-2-3-11(19)7-20)5-4-12-15(17)21(10)8-13(16(12)22)18(23)24/h4-5,8,10-11H,2-3,6-7,9,19H2,1H3,(H,23,24)/t10-,11-/m0/s1
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n/an/a 1.83E+5n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type gyrase in Escherichia coli


Bioorg Med Chem Lett 13: 2373-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00399-8
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50221011
PNG
(CHEMBL76485)
Show SMILES C[C@H]1COc2c(ccc3c2n1cc(C(O)=O)c3=O)N1CC[C@H](C1)C(C)(C)N
Show InChI InChI=1S/C20H25N3O4/c1-11-10-27-18-15(22-7-6-12(8-22)20(2,3)21)5-4-13-16(18)23(11)9-14(17(13)24)19(25)26/h4-5,9,11-12H,6-8,10,21H2,1-3H3,(H,25,26)/t11-,12+/m0/s1
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n/an/a>2.74E+5n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against quinolone resistant gyrase in Escherichia coli


Bioorg Med Chem Lett 13: 2373-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00399-8
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50221011
PNG
(CHEMBL76485)
Show SMILES C[C@H]1COc2c(ccc3c2n1cc(C(O)=O)c3=O)N1CC[C@H](C1)C(C)(C)N
Show InChI InChI=1S/C20H25N3O4/c1-11-10-27-18-15(22-7-6-12(8-22)20(2,3)21)5-4-13-16(18)23(11)9-14(17(13)24)19(25)26/h4-5,9,11-12H,6-8,10,21H2,1-3H3,(H,25,26)/t11-,12+/m0/s1
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PubMed
n/an/a 4.03E+5n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against mammalian DNA topoisomerase II


Bioorg Med Chem Lett 13: 2373-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00399-8
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50223588
PNG
(CHEMBL330372 | DNDI1417460)
Show SMILES C(Oc1ccc(cc1)-c1cc([nH]n1)C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C21H23N3O/c1-2-4-16(5-3-1)15-25-19-8-6-17(7-9-19)20-14-21(24-23-20)18-10-12-22-13-11-18/h1-9,14,18,22H,10-13,15H2,(H,23,24)
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n/an/a 5.99E+5n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human DNA topoisomerase II


Bioorg Med Chem Lett 14: 2857-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.044
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50226181
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C
Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1
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n/an/a>6.52E+5n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human DNA topoisomerase II


Bioorg Med Chem Lett 14: 2857-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.044
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50221009
PNG
(CHEMBL309434)
Show SMILES C[C@H]1COc2c(ccc3c2n1cc(C(O)=O)c3=O)N1CCN(C)CC1
Show InChI InChI=1S/C18H21N3O4/c1-11-10-25-17-14(20-7-5-19(2)6-8-20)4-3-12-15(17)21(11)9-13(16(12)22)18(23)24/h3-4,9,11H,5-8,10H2,1-2H3,(H,23,24)/t11-/m0/s1
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n/an/a 7.28E+5n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against mammalian DNA topoisomerase II


Bioorg Med Chem Lett 13: 2373-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00399-8
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50223579
PNG
(CHEMBL442194)
Show SMILES Cc1cc(=O)oc2cc(CCc3n[nH]c4cccc(OCc5ccc(cc5)C(C)(C)C)c34)ccc12
Show InChI InChI=1S/C30H30N2O3/c1-19-16-28(33)35-27-17-20(10-14-23(19)27)11-15-25-29-24(31-32-25)6-5-7-26(29)34-18-21-8-12-22(13-9-21)30(2,3)4/h5-10,12-14,16-17H,11,15,18H2,1-4H3,(H,31,32)
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n/an/a>8.57E+5n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human DNA topoisomerase II


Bioorg Med Chem Lett 14: 2857-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.044
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50223589
PNG
(CHEMBL97620)
Show SMILES COC(=O)C1CCCC(C1)NCc1n[nH]c2cccc(OCc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C23H25Cl2N3O3/c1-30-23(29)15-4-2-5-16(11-15)26-12-20-22-19(27-28-20)6-3-7-21(22)31-13-14-8-9-17(24)18(25)10-14/h3,6-10,15-16,26H,2,4-5,11-13H2,1H3,(H,27,28)
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n/an/a>8.65E+5n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Human DNA topoisomerase II relaxation activity was determined


Bioorg Med Chem Lett 14: 2857-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.044
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50223617
PNG
(CHEMBL95778)
Show SMILES Cn1cc(\C=C\c2cc(nn2-c2cccc(Cl)c2)C2CCNCC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C25H24Cl2N4/c1-30-16-18(23-14-20(27)6-8-25(23)30)5-7-22-15-24(17-9-11-28-12-10-17)29-31(22)21-4-2-3-19(26)13-21/h2-8,13-17,28H,9-12H2,1H3/b7-5+
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n/an/a>8.86E+5n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Human DNA topoisomerase II relaxation activity was determined


Bioorg Med Chem Lett 14: 2857-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.044
More data for this
Ligand-Target Pair
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