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Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with Target = 'Topoisomerase (DNA) II binding protein 1' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Topoisomerase (DNA) II binding protein 1


(Homo sapiens)
BDBM50083610
PNG
(1,9-dihydroxy-6-(2-hydroxy-1-hydroxymethylethylami...)
Show SMILES OCC(CO)NN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3ccc(O)cc3c21
Show InChI InChI=1S/C29H28N4O11/c34-7-10(8-35)31-33-27(42)19-17-13-6-11(37)4-5-14(13)30-21(17)23-18(20(19)28(33)43)12-2-1-3-15(38)22(12)32(23)29-26(41)25(40)24(39)16(9-36)44-29/h1-6,10,16,24-26,29-31,34-41H,7-9H2
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n/an/an/an/a>5.00E+4n/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Topoisomerase II-mediated DNA cleavage using supercoiled pBR322 plasmid DNA.


Bioorg Med Chem Lett 9: 3307-12 (2000)

More data for this
Ligand-Target Pair
Topoisomerase (DNA) II binding protein 1


(Homo sapiens)
BDBM50083601
PNG
(1-hydroxy-6-(2-hydroxy-1-hydroxymethylethylamino)-...)
Show SMILES OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccccc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
Show InChI InChI=1S/C29H28N4O10/c34-8-11(9-35)31-33-27(41)19-17-13-5-3-7-15(37)21(13)30-22(17)23-18(20(19)28(33)42)12-4-1-2-6-14(12)32(23)29-26(40)25(39)24(38)16(10-36)43-29/h1-7,11,16,24-26,29-31,34-40H,8-10H2
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Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Topoisomerase II-mediated DNA cleavage using supercoiled pBR322 plasmid DNA.


Bioorg Med Chem Lett 9: 3307-12 (2000)

More data for this
Ligand-Target Pair
Topoisomerase (DNA) II binding protein 1


(Homo sapiens)
BDBM50083603
PNG
(3,9-dihydroxy-6-(2-hydroxy-1-hydroxymethylethylami...)
Show SMILES OCC(CO)NN1C(=O)c2c(C1=O)c1c3cc(O)ccc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3ccc(O)cc3c21
Show InChI InChI=1S/C29H28N4O11/c34-7-10(8-35)31-33-27(42)20-18-13-5-11(37)1-3-15(13)30-22(18)23-19(21(20)28(33)43)14-6-12(38)2-4-16(14)32(23)29-26(41)25(40)24(39)17(9-36)44-29/h1-6,10,17,24-26,29-31,34-41H,7-9H2
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Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Topoisomerase II-mediated DNA cleavage using supercoiled pBR322 plasmid DNA.


Bioorg Med Chem Lett 9: 3307-12 (2000)

More data for this
Ligand-Target Pair
Topoisomerase (DNA) II binding protein 1


(Homo sapiens)
BDBM50083602
PNG
(2-hydroxy-6-(2-hydroxy-1-hydroxymethylethylamino)-...)
Show SMILES OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C29H28N4O10/c34-8-11(9-35)31-33-27(41)20-18-13-3-1-2-4-15(13)30-22(18)23-19(21(20)28(33)42)14-6-5-12(37)7-16(14)32(23)29-26(40)25(39)24(38)17(10-36)43-29/h1-7,11,17,24-26,29-31,34-40H,8-10H2
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Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Topoisomerase II-mediated DNA cleavage using supercoiled pBR322 plasmid DNA.


Bioorg Med Chem Lett 9: 3307-12 (2000)

More data for this
Ligand-Target Pair
Topoisomerase (DNA) II binding protein 1


(Homo sapiens)
BDBM50076922
PNG
(1,11-dihydroxy-6-(2-hydroxy-1-hydroxymethylethylam...)
Show SMILES OCC(CO)NN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
Show InChI InChI=1S/C29H28N4O11/c34-7-10(8-35)31-33-27(42)18-16-11-3-1-5-13(37)20(11)30-21(16)23-17(19(18)28(33)43)12-4-2-6-14(38)22(12)32(23)29-26(41)25(40)24(39)15(9-36)44-29/h1-6,10,15,24-26,29-31,34-41H,7-9H2
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Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Topoisomerase II-mediated DNA cleavage using supercoiled pBR322 plasmid DNA.


Bioorg Med Chem Lett 9: 3307-12 (2000)

More data for this
Ligand-Target Pair
Topoisomerase (DNA) II binding protein 1


(Homo sapiens)
BDBM50083609
PNG
(1,10-dihydroxy-6-(2-hydroxy-1-hydroxymethylethylam...)
Show SMILES OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
Show InChI InChI=1S/C29H28N4O11/c34-7-10(8-35)31-33-27(42)19-17-13-2-1-3-15(38)21(13)30-22(17)23-18(20(19)28(33)43)12-5-4-11(37)6-14(12)32(23)29-26(41)25(40)24(39)16(9-36)44-29/h1-6,10,16,24-26,29-31,34-41H,7-9H2
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Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Topoisomerase II-mediated DNA cleavage using supercoiled pBR322 plasmid DNA.


Bioorg Med Chem Lett 9: 3307-12 (2000)

More data for this
Ligand-Target Pair
Topoisomerase (DNA) II binding protein 1


(Homo sapiens)
BDBM50083600
PNG
(2,10-dihydroxy-6-(2-hydroxy-1-hydroxymethylethylam...)
Show SMILES OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3cc(O)ccc3c21
Show InChI InChI=1S/C29H28N4O11/c34-7-10(8-35)31-33-27(42)20-18-13-3-1-11(37)5-15(13)30-22(18)23-19(21(20)28(33)43)14-4-2-12(38)6-16(14)32(23)29-26(41)25(40)24(39)17(9-36)44-29/h1-6,10,17,24-26,29-31,34-41H,7-9H2
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Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Topoisomerase II-mediated DNA cleavage using supercoiled pBR322 plasmid DNA.


Bioorg Med Chem Lett 9: 3307-12 (2000)

More data for this
Ligand-Target Pair
Topoisomerase (DNA) II binding protein 1


(Homo sapiens)
BDBM50083608
PNG
(2,9-dihydroxy-6-(2-hydroxy-1-hydroxymethylethylami...)
Show SMILES OCC(CO)NN1C(=O)c2c(C1=O)c1c3cc(O)ccc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3cc(O)ccc3c21
Show InChI InChI=1S/C29H28N4O11/c34-7-10(8-35)31-33-27(42)20-18-13-3-1-12(38)6-15(13)30-22(18)23-19(21(20)28(33)43)14-5-11(37)2-4-16(14)32(23)29-26(41)25(40)24(39)17(9-36)44-29/h1-6,10,17,24-26,29-31,34-41H,7-9H2
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Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Topoisomerase II-mediated DNA cleavage using supercoiled pBR322 plasmid DNA.


Bioorg Med Chem Lett 9: 3307-12 (2000)

More data for this
Ligand-Target Pair
Topoisomerase (DNA) II binding protein 1


(Homo sapiens)
BDBM50083611
PNG
(3-hydroxy-6-(2-hydroxy-1-hydroxymethylethylamino)-...)
Show SMILES OCC(CO)NN1C(=O)c2c(C1=O)c1c3cc(O)ccc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C29H28N4O10/c34-8-11(9-35)31-33-27(41)20-18-13-3-1-2-4-15(13)30-22(18)23-19(21(20)28(33)42)14-7-12(37)5-6-16(14)32(23)29-26(40)25(39)24(38)17(10-36)43-29/h1-7,11,17,24-26,29-31,34-40H,8-10H2
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Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Topoisomerase II-mediated DNA cleavage using supercoiled pBR322 plasmid DNA.


Bioorg Med Chem Lett 9: 3307-12 (2000)

More data for this
Ligand-Target Pair
Topoisomerase (DNA) II binding protein 1


(Homo sapiens)
BDBM50083599
PNG
(1,3,10-trihydroxy-6-(2-hydroxy-1-hydroxymethylethy...)
Show SMILES OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cc(O)cc3c21
Show InChI InChI=1S/C29H28N4O12/c34-6-9(7-35)31-33-27(43)19-17-13-3-11(38)5-15(39)21(13)30-22(17)23-18(20(19)28(33)44)12-2-1-10(37)4-14(12)32(23)29-26(42)25(41)24(40)16(8-36)45-29/h1-5,9,16,24-26,29-31,34-42H,6-8H2
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Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Topoisomerase II-mediated DNA cleavage using supercoiled pBR322 plasmid DNA.


Bioorg Med Chem Lett 9: 3307-12 (2000)

More data for this
Ligand-Target Pair
Topoisomerase (DNA) II binding protein 1


(Homo sapiens)
BDBM50083604
PNG
(2,9-dihydroxy-6-(2-hydroxy-1-hydroxymethylethylami...)
Show SMILES OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3ccc(O)cc3c21
Show InChI InChI=1S/C29H28N4O11/c34-7-10(8-35)31-33-27(42)20-18-14-5-11(37)2-4-15(14)30-22(18)23-19(21(20)28(33)43)13-3-1-12(38)6-16(13)32(23)29-26(41)25(40)24(39)17(9-36)44-29/h1-6,10,17,24-26,29-31,34-41H,7-9H2
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Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Topoisomerase II-mediated DNA cleavage using supercoiled pBR322 plasmid DNA.


Bioorg Med Chem Lett 9: 3307-12 (2000)

More data for this
Ligand-Target Pair
Topoisomerase (DNA) II binding protein 1


(Homo sapiens)
BDBM50083597
PNG
(4-hydroxy-6-(2-hydroxy-1-hydroxymethylethylamino)-...)
Show SMILES OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccccc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3cccc(O)c3c21
Show InChI InChI=1S/C29H28N4O10/c34-8-11(9-35)31-33-27(41)20-17-12-4-1-2-6-14(12)32(29-26(40)25(39)24(38)16(10-36)43-29)23(17)22-19(21(20)28(33)42)18-13(30-22)5-3-7-15(18)37/h1-7,11,16,24-26,29-31,34-40H,8-10H2
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Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Topoisomerase II-mediated DNA cleavage using supercoiled pBR322 plasmid DNA.


Bioorg Med Chem Lett 9: 3307-12 (2000)

More data for this
Ligand-Target Pair
Topoisomerase (DNA) II binding protein 1


(Homo sapiens)
BDBM50083598
PNG
(2-hydroxy-6-(2-hydroxy-1-hydroxymethylethylamino)-...)
Show SMILES OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccccc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3cc(O)ccc3c21
Show InChI InChI=1S/C29H28N4O10/c34-8-11(9-35)31-33-27(41)20-18-13-6-5-12(37)7-15(13)30-22(18)23-19(21(20)28(33)42)14-3-1-2-4-16(14)32(23)29-26(40)25(39)24(38)17(10-36)43-29/h1-7,11,17,24-26,29-31,34-40H,8-10H2
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Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Topoisomerase II-mediated DNA cleavage using supercoiled pBR322 plasmid DNA.


Bioorg Med Chem Lett 9: 3307-12 (2000)

More data for this
Ligand-Target Pair
Topoisomerase (DNA) II binding protein 1


(Homo sapiens)
BDBM50083613
PNG
(1,9-dihydroxy-6-(2-hydroxy-1-hydroxymethylethylami...)
Show SMILES OCC(CO)NN1C(=O)c2c(C1=O)c1c3cc(O)ccc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21
Show InChI InChI=1S/C29H28N4O11/c34-7-10(8-35)31-33-27(42)19-17-12-2-1-3-15(38)21(12)30-22(17)23-18(20(19)28(33)43)13-6-11(37)4-5-14(13)32(23)29-26(41)25(40)24(39)16(9-36)44-29/h1-6,10,16,24-26,29-31,34-41H,7-9H2
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Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Topoisomerase II-mediated DNA cleavage using supercoiled pBR322 plasmid DNA.


Bioorg Med Chem Lett 9: 3307-12 (2000)

More data for this
Ligand-Target Pair
Topoisomerase (DNA) II binding protein 1


(Homo sapiens)
BDBM50083614
PNG
(1,3,9,11-tetrahydroxy-6-(2-hydroxy-1-hydroxymethyl...)
Show SMILES OCC(CO)NN1C(=O)c2c(C1=O)c1c3cc(O)cc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cc(O)cc3c21
Show InChI InChI=1S/C29H28N4O13/c34-5-8(6-35)31-33-27(44)18-16-11-1-9(37)3-13(39)20(11)30-21(16)23-17(19(18)28(33)45)12-2-10(38)4-14(40)22(12)32(23)29-26(43)25(42)24(41)15(7-36)46-29/h1-4,8,15,24-26,29-31,34-43H,5-7H2
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Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Topoisomerase II-mediated DNA cleavage using supercoiled pBR322 plasmid DNA.


Bioorg Med Chem Lett 9: 3307-12 (2000)

More data for this
Ligand-Target Pair
Topoisomerase (DNA) II binding protein 1


(Homo sapiens)
BDBM50083606
PNG
(1-hydroxy-6-(2-hydroxy-1-hydroxymethylethylamino)-...)
Show SMILES OCC(CO)NN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C29H28N4O10/c34-8-11(9-35)31-33-27(41)19-17-12-4-1-2-6-14(12)30-21(17)23-18(20(19)28(33)42)13-5-3-7-15(37)22(13)32(23)29-26(40)25(39)24(38)16(10-36)43-29/h1-7,11,16,24-26,29-31,34-40H,8-10H2
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Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Topoisomerase II-mediated DNA cleavage using supercoiled pBR322 plasmid DNA.


Bioorg Med Chem Lett 9: 3307-12 (2000)

More data for this
Ligand-Target Pair
Topoisomerase (DNA) II binding protein 1


(Homo sapiens)
BDBM50083605
PNG
(3-hydroxy-6-(2-hydroxy-1-hydroxymethylethylamino)-...)
Show SMILES OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccccc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3ccc(O)cc3c21
Show InChI InChI=1S/C29H28N4O10/c34-8-11(9-35)31-33-27(41)20-18-14-7-12(37)5-6-15(14)30-22(18)23-19(21(20)28(33)42)13-3-1-2-4-16(13)32(23)29-26(40)25(39)24(38)17(10-36)43-29/h1-7,11,17,24-26,29-31,34-40H,8-10H2
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Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Topoisomerase II-mediated DNA cleavage using supercoiled pBR322 plasmid DNA.


Bioorg Med Chem Lett 9: 3307-12 (2000)

More data for this
Ligand-Target Pair
Topoisomerase (DNA) II binding protein 1


(Homo sapiens)
BDBM50083607
PNG
(1,10-dihydroxy-6-(2-hydroxy-1-hydroxymethylethylam...)
Show SMILES OCC(CO)NN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3cc(O)ccc3c21
Show InChI InChI=1S/C29H28N4O11/c34-7-10(8-35)31-33-27(42)19-17-12-5-4-11(37)6-14(12)30-21(17)23-18(20(19)28(33)43)13-2-1-3-15(38)22(13)32(23)29-26(41)25(40)24(39)16(9-36)44-29/h1-6,10,16,24-26,29-31,34-41H,7-9H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/an/an/a>5.00E+4n/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Topoisomerase II-mediated DNA cleavage using supercoiled pBR322 plasmid DNA.


Bioorg Med Chem Lett 9: 3307-12 (2000)

More data for this
Ligand-Target Pair