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PubMed code 7699697

Compile data set for download or QSAR
Found 34 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))		BDBM50033728
PNG
((R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthal...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]=[#6](-[#8]-[#6](=O)-[#6]-[#6]-[#6]=[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|
Show InChI InChI=1S/C21H22O6/c1-4-5-6-18(25)27-17(10-7-12(2)3)13-11-16(24)19-14(22)8-9-15(23)20(19)21(13)26/h4,7-11,22-24,26H,1,5-6H2,2-3H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50033725
PNG
((R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthal...)
Show SMILES [#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:6.6|
Show InChI InChI=1S/C19H20O6/c1-4-16(23)25-15(8-5-10(2)3)11-9-14(22)17-12(20)6-7-13(21)18(17)19(11)24/h5-9,20-22,24H,4H2,1-3H3
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n/an/a 4.40E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50033741
PNG
((R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthal...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]=[#6](-[#8]-[#6](-[#6])=O)-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|
Show InChI InChI=1S/C18H18O6/c1-9(2)4-7-15(24-10(3)19)11-8-14(22)16-12(20)5-6-13(21)17(16)18(11)23/h4-8,20-23H,1-3H3
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n/an/a 4.50E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50033737
PNG
(3-Methyl-but-2-enoic acid (R)-1-(5,8-dihydroxy-1,4...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]=[#6](-[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|
Show InChI InChI=1S/C21H22O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-10,22-24,26H,1-4H3
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n/an/a 7.70E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50033735
PNG
((E)-Pent-2-enoic acid (R)-1-(5,8-dihydroxy-1,4-dio...)
Show SMILES [#6]-[#6]\[#6]=[#6]\[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](/[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:8.8|
Show InChI InChI=1S/C21H22O6/c1-4-5-6-18(25)27-17(10-7-12(2)3)13-11-16(24)19-14(22)8-9-15(23)20(19)21(13)26/h5-11,22-24,26H,4H2,1-3H3/b6-5+,17-10?
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n/an/a 8.00E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50033722
PNG
((R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthal...)
Show SMILES [#6]-[#6](-[#6])-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:7.7|
Show InChI InChI=1S/C20H22O6/c1-10(2)5-8-16(26-20(25)11(3)4)12-9-15(23)17-13(21)6-7-14(22)18(17)19(12)24/h5-9,11,21-24H,1-4H3
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n/an/a 8.40E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50033721
PNG
(CHEMBL8794 | Trichloro-acetic acid (R)-1-(5,8-dihy...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]=[#6](-[#8]-[#6](=O)C(Cl)(Cl)Cl)-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|
Show InChI InChI=1S/C18H15Cl3O6/c1-8(2)3-6-13(27-17(26)18(19,20)21)9-7-12(24)14-10(22)4-5-11(23)15(14)16(9)25/h3-7,22-25H,1-2H3
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n/an/a 1.15E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50033717
PNG
((E)-Hepta-2,6-dienoic acid (R)-1-(5,8-dihydroxy-1,...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]=[#6](-[#8]-[#6](=O)\[#6]=[#6]\[#6]-[#6]-[#6]=[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|
Show InChI InChI=1S/C23H24O6/c1-4-5-6-7-8-20(27)29-19(12-9-14(2)3)15-13-18(26)21-16(24)10-11-17(25)22(21)23(15)28/h4,7-13,24-26,28H,1,5-6H2,2-3H3/b8-7+,19-12?
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n/an/a 1.26E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50008923
PNG
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r|
Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1
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n/an/a 1.27E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50033715
PNG
((2E,4E)-Hexa-2,4-dienoic acid (R)-1-(5,8-dihydroxy...)
Show SMILES [#6]-[#6]=[#6]-[#6]=[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](/[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:9.9,3.2,1.0|
Show InChI InChI=1S/C22H22O6/c1-4-5-6-7-19(26)28-18(11-8-13(2)3)14-12-17(25)20-15(23)9-10-16(24)21(20)22(14)27/h4-12,23-25,27H,1-3H3
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n/an/a 1.30E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50033711
PNG
(CHEMBL8834 | Chloro-acetic acid (R)-1-(5,8-dihydro...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]=[#6](-[#8]-[#6](=O)-[#6]Cl)-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|
Show InChI InChI=1S/C18H17ClO6/c1-9(2)3-6-14(25-15(23)8-19)10-7-13(22)16-11(20)4-5-12(21)17(16)18(10)24/h3-7,20-22,24H,8H2,1-2H3
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n/an/a 1.37E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50033739
PNG
((R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthal...)
Show SMILES [#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:7.7|
Show InChI InChI=1S/C20H22O6/c1-4-5-17(24)26-16(9-6-11(2)3)12-10-15(23)18-13(21)7-8-14(22)19(18)20(12)25/h6-10,21-23,25H,4-5H2,1-3H3
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n/an/a 1.44E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50033710
PNG
((R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthal...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]=[#6](-[#8]-[#6](=O)-c1ccccc1)-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|
Show InChI InChI=1S/C23H20O6/c1-13(2)8-11-19(29-23(28)14-6-4-3-5-7-14)15-12-18(26)20-16(24)9-10-17(25)21(20)22(15)27/h3-12,24-27H,1-2H3
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n/an/a 1.53E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50033719
PNG
((E)-Hex-3-enoic acid (R)-1-(5,8-dihydroxy-1,4-diox...)
Show SMILES [#6]-[#6]\[#6]=[#6]\[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:9.9|
Show InChI InChI=1S/C22H24O6/c1-4-5-6-7-19(26)28-18(11-8-13(2)3)14-12-17(25)20-15(23)9-10-16(24)21(20)22(14)27/h5-6,8-12,23-25,27H,4,7H2,1-3H3/b6-5+,18-11?
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n/an/a 1.53E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50033716
PNG
((E)-Hex-2-enoic acid (R)-1-(5,8-dihydroxy-1,4-diox...)
Show SMILES [#6]-[#6]-[#6]\[#6]=[#6]\[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](/[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:9.9|
Show InChI InChI=1S/C22H24O6/c1-4-5-6-7-19(26)28-18(11-8-13(2)3)14-12-17(25)20-15(23)9-10-16(24)21(20)22(14)27/h6-12,23-25,27H,4-5H2,1-3H3/b7-6+,18-11?
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n/an/a 1.53E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50033733
PNG
((R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthal...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:8.8|
Show InChI InChI=1S/C21H24O6/c1-4-5-6-18(25)27-17(10-7-12(2)3)13-11-16(24)19-14(22)8-9-15(23)20(19)21(13)26/h7-11,22-24,26H,4-6H2,1-3H3
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n/an/a 1.61E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50033714
PNG
(CHEMBL265619 | Hexanoic acid (R)-1-(5,8-dihydroxy-...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:9.9|
Show InChI InChI=1S/C22H26O6/c1-4-5-6-7-19(26)28-18(11-8-13(2)3)14-12-17(25)20-15(23)9-10-16(24)21(20)22(14)27/h8-12,23-25,27H,4-7H2,1-3H3
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n/an/a 2.07E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50033731
PNG
((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl...)
Show SMILES CC(C)C=CC(=O)c1cc(O)c2c(O)ccc(O)c2c1O |w:4.4|
Show InChI InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3-8,18-21H,1-2H3
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n/an/a 2.08E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50033732
PNG
(CHEMBL8804 | Phenyl-acetic acid (R)-1-(5,8-dihydro...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]=[#6](-[#8]-[#6](=O)-[#6]-c1ccccc1)-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|
Show InChI InChI=1S/C24H22O6/c1-14(2)8-11-20(30-21(28)12-15-6-4-3-5-7-15)16-13-19(27)22-17(25)9-10-18(26)23(22)24(16)29/h3-11,13,25-27,29H,12H2,1-2H3
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n/an/a 2.22E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50033713
PNG
(CHEMBL9320 | Hept-6-enoic acid (R)-1-(5,8-dihydrox...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]=[#6](-[#8]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]=[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|
Show InChI InChI=1S/C23H26O6/c1-4-5-6-7-8-20(27)29-19(12-9-14(2)3)15-13-18(26)21-16(24)10-11-17(25)22(21)23(15)28/h4,9-13,24-26,28H,1,5-8H2,2-3H3
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n/an/a 2.50E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50033726
PNG
((6E,9E,12E)-Octadeca-6,9,12-trienoic acid (R)-1-(5...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6]\[#6]\[#6]=[#6]\[#6]\[#6]=[#6]\[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:21.21|
Show InChI InChI=1S/C34H44O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31(38)40-30(23-20-25(2)3)26-24-29(37)32-27(35)21-22-28(36)33(32)34(26)39/h8-9,11-12,14-15,20-24,35-37,39H,4-7,10,13,16-19H2,1-3H3/b9-8+,12-11+,15-14+,30-23?
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n/an/a>6.25E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50033727
PNG
(CHEMBL9518 | Diphenyl-acetic acid (R)-1-(5,8-dihyd...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]=[#6](-[#8]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|
Show InChI InChI=1S/C30H26O6/c1-18(2)13-16-25(21-17-24(33)27-22(31)14-15-23(32)28(27)29(21)34)36-30(35)26(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-17,26,31-34H,1-2H3
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n/an/a>6.25E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50033724
PNG
(CHEMBL269519 | Octadecanoic acid (R)-1-(5,8-dihydr...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:21.21|
Show InChI InChI=1S/C34H50O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31(38)40-30(23-20-25(2)3)26-24-29(37)32-27(35)21-22-28(36)33(32)34(26)39/h20-24,35-37,39H,4-19H2,1-3H3
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n/an/a>6.25E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50033718
PNG
(CHEMBL9338 | Nonanoic acid (R)-1-(5,8-dihydroxy-1,...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:12.12|
Show InChI InChI=1S/C25H32O6/c1-4-5-6-7-8-9-10-22(29)31-21(14-11-16(2)3)17-15-20(28)23-18(26)12-13-19(27)24(23)25(17)30/h11-15,26-28,30H,4-10H2,1-3H3
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n/an/a>6.25E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50033736
PNG
(CHEMBL9469 | Octanoic acid (R)-1-(5,8-dihydroxy-1,...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:11.11|
Show InChI InChI=1S/C24H30O6/c1-4-5-6-7-8-9-21(28)30-20(13-10-15(2)3)16-14-19(27)22-17(25)11-12-18(26)23(22)24(16)29/h10-14,25-27,29H,4-9H2,1-3H3
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n/an/a>6.25E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50033730
PNG
(CHEMBL9259 | Hexadecanoic acid (R)-1-(5,8-dihydrox...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:19.19|
Show InChI InChI=1S/C32H46O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29(36)38-28(21-18-23(2)3)24-22-27(35)30-25(33)19-20-26(34)31(30)32(24)37/h18-22,33-35,37H,4-17H2,1-3H3
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n/an/a>6.25E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50033723
PNG
(CHEMBL9164 | Heptanoic acid (R)-1-(5,8-dihydroxy-1...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:10.10|
Show InChI InChI=1S/C23H28O6/c1-4-5-6-7-8-20(27)29-19(12-9-14(2)3)15-13-18(26)21-16(24)10-11-17(25)22(21)23(15)28/h9-13,24-26,28H,4-8H2,1-3H3
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n/an/a 6.25E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50033740
PNG
((E)-Octadec-9-enoic acid (R)-1-(5,8-dihydroxy-1,4-...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:21.21|
Show InChI InChI=1S/C34H48O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31(38)40-30(23-20-25(2)3)26-24-29(37)32-27(35)21-22-28(36)33(32)34(26)39/h11-12,20-24,35-37,39H,4-10,13-19H2,1-3H3/b12-11+,30-23?
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n/an/a>6.25E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50033734
PNG
((2Z,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cycl...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]=[#6](-[#8]-[#6](=O)-[#6]=[#6](-[#6])-[#6]=[#6]\[#6]=[#6](/[#6])\[#6]=[#6]\[#6]1=[#6](-[#6])-[#6]-[#6]-[#6]C1([#6])[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:9.8,4.3,13.13,c:19|
Show InChI InChI=1S/C36H42O6/c1-22(2)13-18-31(26-21-30(39)33-28(37)16-17-29(38)34(33)35(26)41)42-32(40)20-24(4)11-8-10-23(3)14-15-27-25(5)12-9-19-36(27,6)7/h8,10-11,13-18,20-21,37-39,41H,9,12,19H2,1-7H3/b11-8?,15-14+,23-10+,24-20?,31-18?
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n/an/a>6.25E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50033729
PNG
((9E,12E)-Octadeca-9,12-dienoic acid (R)-1-(5,8-dih...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6]\[#6]\[#6]=[#6]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](/[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:21.21|
Show InChI InChI=1S/C34H46O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31(38)40-30(23-20-25(2)3)26-24-29(37)32-27(35)21-22-28(36)33(32)34(26)39/h8-9,11-12,20-24,35-37,39H,4-7,10,13-19H2,1-3H3/b9-8+,12-11+,30-23?
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n/an/a>6.25E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50033712
PNG
(CHEMBL275029 | Decanoic acid (R)-1-(5,8-dihydroxy-...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:13.13|
Show InChI InChI=1S/C26H34O6/c1-4-5-6-7-8-9-10-11-23(30)32-22(15-12-17(2)3)18-16-21(29)24-19(27)13-14-20(28)25(24)26(18)31/h12-16,27-29,31H,4-11H2,1-3H3
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n/an/a>6.25E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50033734
PNG
((2Z,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cycl...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]=[#6](-[#8]-[#6](=O)-[#6]=[#6](-[#6])-[#6]=[#6]\[#6]=[#6](/[#6])\[#6]=[#6]\[#6]1=[#6](-[#6])-[#6]-[#6]-[#6]C1([#6])[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:9.8,4.3,13.13,c:19|
Show InChI InChI=1S/C36H42O6/c1-22(2)13-18-31(26-21-30(39)33-28(37)16-17-29(38)34(33)35(26)41)42-32(40)20-24(4)11-8-10-23(3)14-15-27-25(5)12-9-19-36(27,6)7/h8,10-11,13-18,20-21,37-39,41H,9,12,19H2,1-7H3/b11-8?,15-14+,23-10+,24-20?,31-18?
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n/an/a>6.25E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50033720
PNG
(CHEMBL267435 | Undecanoic acid (R)-1-(5,8-dihydrox...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:14.14|
Show InChI InChI=1S/C27H36O6/c1-4-5-6-7-8-9-10-11-12-24(31)33-23(16-13-18(2)3)19-17-22(30)25-20(28)14-15-21(29)26(25)27(19)32/h13-17,28-30,32H,4-12H2,1-3H3
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n/an/a>6.25E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50033709
PNG
(CHEMBL266355 | Dodecanoic acid (R)-1-(5,8-dihydrox...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:15.15|
Show InChI InChI=1S/C28H38O6/c1-4-5-6-7-8-9-10-11-12-13-25(32)34-24(17-14-19(2)3)20-18-23(31)26-21(29)15-16-22(30)27(26)28(20)33/h14-18,29-31,33H,4-13H2,1-3H3
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n/an/a>6.25E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase-I obtained from Hela cells

J Med Chem 38: 1044-7 (1995)


BindingDB Entry DOI: 10.7270/Q2610ZCB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%