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PubMed code 15026047

Compile data set for download or QSAR
Found 29 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
DNA topoisomerase 1


(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 2-alpha/2-beta


(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 2-alpha/2-beta


(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 2-alpha/2-beta


(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 2-alpha/2-beta


(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 1


(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
DNA topoisomerase 1


(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 1


(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
DNA topoisomerase 1


(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
DNA topoisomerase 1


(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 1


(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
DNA topoisomerase 1


(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 1


(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
DNA topoisomerase 1


(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
DNA topoisomerase 1


(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
DNA topoisomerase 1


(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
DNA topoisomerase 1


(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 |t:13|
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
DNA topoisomerase 1


(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
DNA topoisomerase 1


(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
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50142511
PNG
(Acetic acid 4-[4-(4-acetoxy-benzoylamino)-phenylca...)
Show SMILES CC(=O)Oc1ccc(cc1)C(=O)Nc1ccc(NC(=O)c2ccc(OC(C)=O)cc2)cc1
Show InChI InChI=1S/C24H20N2O6/c1-15(27)31-21-11-3-17(4-12-21)23(29)25-19-7-9-20(10-8-19)26-24(30)18-5-13-22(14-6-18)32-16(2)28/h3-14H,1-2H3,(H,25,29)(H,26,30)
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n/an/a>1.00E+5n/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 1


(Homo sapiens (Human))		BDBM50142530
PNG
(3,4,5-Trihydroxy-N-phenyl-benzamide | CHEMBL43782)
Show SMILES Oc1cc(cc(O)c1O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C13H11NO4/c15-10-6-8(7-11(16)12(10)17)13(18)14-9-4-2-1-3-5-9/h1-7,15-17H,(H,14,18)
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n/an/a>1.00E+5n/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 1


(Homo sapiens (Human))		BDBM50142521
PNG
(CHEMBL296500 | N-(3-Benzoylamino-4-hydroxyphenyl)-...)
Show SMILES Oc1ccc(cc1)C(=O)Nc1cccc(NC(=O)c2ccc(O)cc2)c1
Show InChI InChI=1S/C20H16N2O4/c23-17-8-4-13(5-9-17)19(25)21-15-2-1-3-16(12-15)22-20(26)14-6-10-18(24)11-7-14/h1-12,23-24H,(H,21,25)(H,22,26)
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n/an/a>1.00E+5n/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 1


(Homo sapiens (Human))		BDBM50142524
PNG
(Acetic acid 4-[2-(4-acetoxy-benzoylamino)-phenylca...)
Show SMILES CC(=O)Oc1ccc(cc1)C(=O)Nc1ccccc1NC(=O)c1ccc(OC(C)=O)cc1
Show InChI InChI=1S/C24H20N2O6/c1-15(27)31-19-11-7-17(8-12-19)23(29)25-21-5-3-4-6-22(21)26-24(30)18-9-13-20(14-10-18)32-16(2)28/h3-14H,1-2H3,(H,25,29)(H,26,30)
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n/an/a>1.00E+5n/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 1


(Homo sapiens (Human))		BDBM50142512
PNG
(CHEMBL296797 | N-(2-Benzoylamino-4-hydroxyphenyl)-...)
Show SMILES Oc1ccc(cc1)C(=O)Nc1ccccc1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C20H16N2O4/c23-15-9-5-13(6-10-15)19(25)21-17-3-1-2-4-18(17)22-20(26)14-7-11-16(24)12-8-14/h1-12,23-24H,(H,21,25)(H,22,26)
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n/an/a>1.00E+5n/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 1


(Homo sapiens (Human))		BDBM50142508
PNG
(CHEMBL44839 | N-(2-Benzoylamino-phenyl)-benzamide)
Show SMILES O=C(Nc1ccccc1NC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H16N2O2/c23-19(15-9-3-1-4-10-15)21-17-13-7-8-14-18(17)22-20(24)16-11-5-2-6-12-16/h1-14H,(H,21,23)(H,22,24)
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n/an/a>1.00E+5n/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 1


(Homo sapiens (Human))		BDBM50142527
PNG
(CHEMBL296350 | N-Benzothiazol-2-yl-4-hydroxy-benza...)
Show SMILES Oc1ccc(cc1)C(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C14H10N2O2S/c17-10-7-5-9(6-8-10)13(18)16-14-15-11-3-1-2-4-12(11)19-14/h1-8,17H,(H,15,16,18)
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n/an/a>1.00E+5n/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 1


(Homo sapiens (Human))		BDBM50142520
PNG
(CHEMBL294998 | N-(4-Benzoylamino-4-hydroxyphenyl)-...)
Show SMILES Oc1ccc(cc1)C(=O)Nc1ccc(NC(=O)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H16N2O4/c23-17-9-1-13(2-10-17)19(25)21-15-5-7-16(8-6-15)22-20(26)14-3-11-18(24)12-4-14/h1-12,23-24H,(H,21,25)(H,22,26)
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n/an/a>1.00E+5n/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 1


(Homo sapiens (Human))		BDBM50142516
PNG
(Acetic acid 4-[3-(4-acetoxy-benzoylamino)-phenylca...)
Show SMILES CC(=O)Oc1ccc(cc1)C(=O)Nc1cccc(NC(=O)c2ccc(OC(C)=O)cc2)c1
Show InChI InChI=1S/C24H20N2O6/c1-15(27)31-21-10-6-17(7-11-21)23(29)25-19-4-3-5-20(14-19)26-24(30)18-8-12-22(13-9-18)32-16(2)28/h3-14H,1-2H3,(H,25,29)(H,26,30)
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n/an/a>1.00E+5n/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 1


(Homo sapiens (Human))		BDBM50142518
PNG
(Acetic acid 2-acetoxy-5-[4-(3,4-diacetoxy-benzoyla...)
Show SMILES CC(=O)Oc1ccc(cc1OC(C)=O)C(=O)Nc1ccc(NC(=O)c2ccc(OC(C)=O)c(OC(C)=O)c2)cc1
Show InChI InChI=1S/C28H24N2O10/c1-15(31)37-23-11-5-19(13-25(23)39-17(3)33)27(35)29-21-7-9-22(10-8-21)30-28(36)20-6-12-24(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>1.00E+5n/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
* indicates data uncertainty>20%