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PubMed code 10509910

Compile data set for download or QSAR
Found 10 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 2


(Drosophila melanogaster)		BDBM50081427
PNG
((4R,4aS)-4,8-Dihydroxy-6-methyl-9-oxo-4,9-dihydro-...)
Show SMILES COC(=O)[C@]12Oc3cc(C)cc(O)c3C(=O)C1=CC=C[C@H]2O |c:18,20|
Show InChI InChI=1S/C16H14O6/c1-8-6-10(17)13-11(7-8)22-16(15(20)21-2)9(14(13)19)4-3-5-12(16)18/h3-7,12,17-18H,1-2H3/t12-,16+/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against topoisomerase II (Topo II) by using decatenation assay

Bioorg Med Chem Lett 9: 2653-6 (1999)


BindingDB Entry DOI: 10.7270/Q2X34XZ8
More data for this
Ligand-Target Pair
DNA topoisomerase 2


(Drosophila melanogaster)		BDBM50081428
PNG
((4R,4aS)-4,8-Dihydroxy-6-methyl-9-oxo-4,9-dihydro-...)
Show SMILES Cc1cc(O)c2C(=O)C3=CC=C[C@@H](O)[C@]3(Oc2c1)C(=O)NCCO |c:10,t:8|
Show InChI InChI=1S/C17H17NO6/c1-9-7-11(20)14-12(8-9)24-17(16(23)18-5-6-19)10(15(14)22)3-2-4-13(17)21/h2-4,7-8,13,19-21H,5-6H2,1H3,(H,18,23)/t13-,17+/m1/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against topoisomerase II (Topo II) by using decatenation assay

Bioorg Med Chem Lett 9: 2653-6 (1999)


BindingDB Entry DOI: 10.7270/Q2X34XZ8
More data for this
Ligand-Target Pair
DNA topoisomerase 2


(Drosophila melanogaster)		BDBM50081429
PNG
((4R,4aS)-4,8-Dihydroxy-6-methyl-9-oxo-4,9-dihydro-...)
Show SMILES Cc1cc(O)c2C(=O)C3=CC=C[C@@H](O)[C@]3(Oc2c1)C(N)=O |c:10,t:8|
Show InChI InChI=1S/C15H13NO5/c1-7-5-9(17)12-10(6-7)21-15(14(16)20)8(13(12)19)3-2-4-11(15)18/h2-6,11,17-18H,1H3,(H2,16,20)/t11-,15+/m1/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against topoisomerase II (Topo II) by using decatenation assay

Bioorg Med Chem Lett 9: 2653-6 (1999)


BindingDB Entry DOI: 10.7270/Q2X34XZ8
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Mus musculus)		BDBM50081429
PNG
((4R,4aS)-4,8-Dihydroxy-6-methyl-9-oxo-4,9-dihydro-...)
Show SMILES Cc1cc(O)c2C(=O)C3=CC=C[C@@H](O)[C@]3(Oc2c1)C(N)=O |c:10,t:8|
Show InChI InChI=1S/C15H13NO5/c1-7-5-9(17)12-10(6-7)21-15(14(16)20)8(13(12)19)3-2-4-11(15)18/h2-6,11,17-18H,1H3,(H2,16,20)/t11-,15+/m1/s1
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n/an/a 6.30E+4n/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against topoisomerase I (Topo I) by using relaxation assay

Bioorg Med Chem Lett 9: 2653-6 (1999)


BindingDB Entry DOI: 10.7270/Q2X34XZ8
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Mus musculus)		BDBM50081428
PNG
((4R,4aS)-4,8-Dihydroxy-6-methyl-9-oxo-4,9-dihydro-...)
Show SMILES Cc1cc(O)c2C(=O)C3=CC=C[C@@H](O)[C@]3(Oc2c1)C(=O)NCCO |c:10,t:8|
Show InChI InChI=1S/C17H17NO6/c1-9-7-11(20)14-12(8-9)24-17(16(23)18-5-6-19)10(15(14)22)3-2-4-13(17)21/h2-4,7-8,13,19-21H,5-6H2,1H3,(H,18,23)/t13-,17+/m1/s1
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n/an/a 1.02E+5n/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against topoisomerase I (Topo I) by using relaxation assay

Bioorg Med Chem Lett 9: 2653-6 (1999)


BindingDB Entry DOI: 10.7270/Q2X34XZ8
More data for this
Ligand-Target Pair
DNA topoisomerase 2


(Drosophila melanogaster)		BDBM50081426
PNG
((4R,4aS)-4,8-Dihydroxy-6-methyl-9-oxo-4,9-dihydro-...)
Show SMILES CNC(=O)[C@]12Oc3cc(C)cc(O)c3C(=O)C1=CC=C[C@H]2O |c:18,20|
Show InChI InChI=1S/C16H15NO5/c1-8-6-10(18)13-11(7-8)22-16(15(21)17-2)9(14(13)20)4-3-5-12(16)19/h3-7,12,18-19H,1-2H3,(H,17,21)/t12-,16+/m1/s1
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n/an/a 1.32E+5n/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against topoisomerase II (Topo II) by using decatenation assay

Bioorg Med Chem Lett 9: 2653-6 (1999)


BindingDB Entry DOI: 10.7270/Q2X34XZ8
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Mus musculus)		BDBM50081427
PNG
((4R,4aS)-4,8-Dihydroxy-6-methyl-9-oxo-4,9-dihydro-...)
Show SMILES COC(=O)[C@]12Oc3cc(C)cc(O)c3C(=O)C1=CC=C[C@H]2O |c:18,20|
Show InChI InChI=1S/C16H14O6/c1-8-6-10(17)13-11(7-8)22-16(15(20)21-2)9(14(13)19)4-3-5-12(16)18/h3-7,12,17-18H,1-2H3/t12-,16+/m1/s1
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n/an/a 1.72E+5n/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against topoisomerase I (Topo I) by using relaxation assay

Bioorg Med Chem Lett 9: 2653-6 (1999)


BindingDB Entry DOI: 10.7270/Q2X34XZ8
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Mus musculus)		BDBM50081426
PNG
((4R,4aS)-4,8-Dihydroxy-6-methyl-9-oxo-4,9-dihydro-...)
Show SMILES CNC(=O)[C@]12Oc3cc(C)cc(O)c3C(=O)C1=CC=C[C@H]2O |c:18,20|
Show InChI InChI=1S/C16H15NO5/c1-8-6-10(18)13-11(7-8)22-16(15(21)17-2)9(14(13)20)4-3-5-12(16)19/h3-7,12,18-19H,1-2H3,(H,17,21)/t12-,16+/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against topoisomerase I (Topo I) by using relaxation assay

Bioorg Med Chem Lett 9: 2653-6 (1999)


BindingDB Entry DOI: 10.7270/Q2X34XZ8
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Mus musculus)		BDBM50081431
PNG
(7,16-dihydroxy-5,14-dimethyl-(1S,13S,16R)-2-oxa-14...)
Show SMILES CN1C2CC=C3C(=O)c4c(O)cc(C)cc4O[C@@]3([C@@H]2O)C1=O |t:4,THB:0:1:18:5.4.3,21:20:18:5.4.3|
Show InChI InChI=1S/C16H15NO5/c1-7-5-10(18)12-11(6-7)22-16-8(13(12)19)3-4-9(14(16)20)17(2)15(16)21/h3,5-6,9,14,18,20H,4H2,1-2H3/t9?,14-,16+/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against topoisomerase I (Topo I) by using relaxation assay

Bioorg Med Chem Lett 9: 2653-6 (1999)


BindingDB Entry DOI: 10.7270/Q2X34XZ8
More data for this
Ligand-Target Pair
DNA topoisomerase 2


(Drosophila melanogaster)		BDBM50081431
PNG
(7,16-dihydroxy-5,14-dimethyl-(1S,13S,16R)-2-oxa-14...)
Show SMILES CN1C2CC=C3C(=O)c4c(O)cc(C)cc4O[C@@]3([C@@H]2O)C1=O |t:4,THB:0:1:18:5.4.3,21:20:18:5.4.3|
Show InChI InChI=1S/C16H15NO5/c1-7-5-10(18)12-11(6-7)22-16-8(13(12)19)3-4-9(14(16)20)17(2)15(16)21/h3,5-6,9,14,18,20H,4H2,1-2H3/t9?,14-,16+/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against topoisomerase II (Topo II) by using decatenation assay

Bioorg Med Chem Lett 9: 2653-6 (1999)


BindingDB Entry DOI: 10.7270/Q2X34XZ8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%