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PubMed code 27769668

Compile data set for download or QSAR
Found 32 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))		BDBM50203110
PNG
(CHEMBL3914791)
Show SMILES [I-].C[n+]1c2-c3ccccc3-c3nc(cc(c23)c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C25H17N2/c1-27-22-14-8-7-11-17(22)20-15-21(16-9-3-2-4-10-16)26-24-18-12-5-6-13-19(18)25(27)23(20)24/h2-15H,1H3/q+1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis

Bioorg Med Chem 24: 6119-6130 (2016)


Article DOI: 10.1016/j.bmc.2016.02.028
BindingDB Entry DOI: 10.7270/Q2BG2QZJ
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50203111
PNG
(CHEMBL3968023)
Show SMILES [I-].C[n+]1ccc2c3c(nc4cc5OCOc5cc24)-c2ccccc2-c13
Show InChI InChI=1S/C20H13N2O2/c1-22-7-6-11-14-8-16-17(24-10-23-16)9-15(14)21-19-12-4-2-3-5-13(12)20(22)18(11)19/h2-9H,10H2,1H3/q+1
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n/an/a 1.02E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis

Bioorg Med Chem 24: 6119-6130 (2016)


Article DOI: 10.1016/j.bmc.2016.02.028
BindingDB Entry DOI: 10.7270/Q2BG2QZJ
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50203043
PNG
(CHEMBL3896867)
Show SMILES [Br-].C(c1ccccc1)[n+]1ccc2c3c(nc4cc5OCOc5cc24)-c2ccccc2-c13
Show InChI InChI=1S/C26H17N2O2/c1-2-6-16(7-3-1)14-28-11-10-17-20-12-22-23(30-15-29-22)13-21(20)27-25-18-8-4-5-9-19(18)26(28)24(17)25/h1-13H,14-15H2/q+1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis

Bioorg Med Chem 24: 6119-6130 (2016)


Article DOI: 10.1016/j.bmc.2016.02.028
BindingDB Entry DOI: 10.7270/Q2BG2QZJ
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50203113
PNG
(CHEMBL3889816)
Show SMILES [Br-].C(c1ccccc1)[n+]1ccc2c3c(nc4ccccc24)-c2ccccc2-c13
Show InChI InChI=1S/C25H17N2/c1-2-8-17(9-3-1)16-27-15-14-19-18-10-6-7-13-22(18)26-24-20-11-4-5-12-21(20)25(27)23(19)24/h1-15H,16H2/q+1
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n/an/a 1.34E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis

Bioorg Med Chem 24: 6119-6130 (2016)


Article DOI: 10.1016/j.bmc.2016.02.028
BindingDB Entry DOI: 10.7270/Q2BG2QZJ
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50202837
PNG
(CHEMBL3941751)
Show SMILES Cc1ccc(cc1)S([O-])(=O)=O.C[n+]1ccc2c3c(nc4ccccc24)-c2ccccc2-c13
Show InChI InChI=1S/C19H13N2/c1-21-11-10-13-12-6-4-5-9-16(12)20-18-14-7-2-3-8-15(14)19(21)17(13)18/h2-11H,1H3/q+1
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n/an/a 1.58E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis

Bioorg Med Chem 24: 6119-6130 (2016)


Article DOI: 10.1016/j.bmc.2016.02.028
BindingDB Entry DOI: 10.7270/Q2BG2QZJ
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50203040
PNG
(CHEMBL3932774)
Show SMILES [I-].CC[n+]1ccc2c3c(nc4ccccc24)-c2ccccc2-c13
Show InChI InChI=1S/C20H15N2/c1-2-22-12-11-14-13-7-5-6-10-17(13)21-19-15-8-3-4-9-16(15)20(22)18(14)19/h3-12H,2H2,1H3/q+1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis

Bioorg Med Chem 24: 6119-6130 (2016)


Article DOI: 10.1016/j.bmc.2016.02.028
BindingDB Entry DOI: 10.7270/Q2BG2QZJ
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50203048
PNG
(CHEMBL3984603)
Show SMILES [I-].Cc1cc2c3c(nc4ccccc24)-c2ccccc2-c3[n+]1C
Show InChI InChI=1S/C20H15N2/c1-12-11-16-13-7-5-6-10-17(13)21-19-14-8-3-4-9-15(14)20(18(16)19)22(12)2/h3-11H,1-2H3/q+1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis

Bioorg Med Chem 24: 6119-6130 (2016)


Article DOI: 10.1016/j.bmc.2016.02.028
BindingDB Entry DOI: 10.7270/Q2BG2QZJ
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50202840
PNG
(CHEMBL3904763)
Show SMILES [I-].C[n+]1ccc2c3c(nc4ccccc24)-c2ccccc2-c13
Show InChI InChI=1S/C19H13N2/c1-21-11-10-13-12-6-4-5-9-16(12)20-18-14-7-2-3-8-15(14)19(21)17(13)18/h2-11H,1H3/q+1
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n/an/a 4.54E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis

Bioorg Med Chem 24: 6119-6130 (2016)


Article DOI: 10.1016/j.bmc.2016.02.028
BindingDB Entry DOI: 10.7270/Q2BG2QZJ
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50203042
PNG
(CHEMBL3923820)
Show SMILES [Br-].CCOC(=O)C[n+]1ccc2c3c(nc4ccccc24)-c2ccccc2-c13
Show InChI InChI=1S/C22H17N2O2/c1-2-26-19(25)13-24-12-11-15-14-7-5-6-10-18(14)23-21-16-8-3-4-9-17(16)22(24)20(15)21/h3-12H,2,13H2,1H3/q+1
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n/an/a 5.69E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis

Bioorg Med Chem 24: 6119-6130 (2016)


Article DOI: 10.1016/j.bmc.2016.02.028
BindingDB Entry DOI: 10.7270/Q2BG2QZJ
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50203044
PNG
(CHEMBL3960953)
Show SMILES [Br-].C(c1ccccc1)[n+]1ccc2cc(nc3-c4ccccc4-c1c23)-c1ccccc1
Show InChI InChI=1S/C27H19N2/c1-3-9-19(10-4-1)18-29-16-15-21-17-24(20-11-5-2-6-12-20)28-26-22-13-7-8-14-23(22)27(29)25(21)26/h1-17H,18H2/q+1
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n/an/a 9.74E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis

Bioorg Med Chem 24: 6119-6130 (2016)


Article DOI: 10.1016/j.bmc.2016.02.028
BindingDB Entry DOI: 10.7270/Q2BG2QZJ
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50202835
PNG
(CHEMBL3895295)
Show SMILES [Br-].COc1ccc-2c(c1)-c1[n+](Cc3ccccc3)ccc3ccnc-2c13
Show InChI InChI=1S/C22H17N2O/c1-25-17-7-8-18-19(13-17)22-20-16(9-11-23-21(18)20)10-12-24(22)14-15-5-3-2-4-6-15/h2-13H,14H2,1H3/q+1
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n/an/a 1.23E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis

Bioorg Med Chem 24: 6119-6130 (2016)


Article DOI: 10.1016/j.bmc.2016.02.028
BindingDB Entry DOI: 10.7270/Q2BG2QZJ
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50203049
PNG
(CHEMBL3904207)
Show SMILES [I-].Cc1cc2cc[n+](C)c3-c4ccccc4-c(n1)c23
Show InChI InChI=1S/C16H13N2/c1-10-9-11-7-8-18(2)16-13-6-4-3-5-12(13)15(17-10)14(11)16/h3-9H,1-2H3/q+1
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n/an/a 1.24E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis

Bioorg Med Chem 24: 6119-6130 (2016)


Article DOI: 10.1016/j.bmc.2016.02.028
BindingDB Entry DOI: 10.7270/Q2BG2QZJ
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50203041
PNG
(CHEMBL3895818)
Show SMILES [Br-].CC[n+]1c2-c3ccccc3-c3nc(cc(c23)c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C26H19N2/c1-2-28-23-15-9-8-12-18(23)21-16-22(17-10-4-3-5-11-17)27-25-19-13-6-7-14-20(19)26(28)24(21)25/h3-16H,2H2,1H3/q+1
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n/an/a<1.36E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis

Bioorg Med Chem 24: 6119-6130 (2016)


Article DOI: 10.1016/j.bmc.2016.02.028
BindingDB Entry DOI: 10.7270/Q2BG2QZJ
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50202838
PNG
(CHEBI:67605 | Eupolauridine)
Show SMILES c1ccc-2c(c1)-c1nccc3ccnc-2c13
Show InChI InChI=1S/C14H8N2/c1-2-4-11-10(3-1)13-12-9(5-7-15-13)6-8-16-14(11)12/h1-8H
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n/an/a 2.05E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis

Bioorg Med Chem 24: 6119-6130 (2016)


Article DOI: 10.1016/j.bmc.2016.02.028
BindingDB Entry DOI: 10.7270/Q2BG2QZJ
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50202880
PNG
(CHEMBL3914880)
Show SMILES [Br-].Cc1ccc(C[n+]2ccc3ccnc4-c5ccccc5-c2c34)cc1
Show InChI InChI=1S/C22H17N2/c1-15-6-8-16(9-7-15)14-24-13-11-17-10-12-23-21-18-4-2-3-5-19(18)22(24)20(17)21/h2-13H,14H2,1H3/q+1
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n/an/a 2.82E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis

Bioorg Med Chem 24: 6119-6130 (2016)


Article DOI: 10.1016/j.bmc.2016.02.028
BindingDB Entry DOI: 10.7270/Q2BG2QZJ
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50203046
PNG
(CHEMBL3913215)
Show SMILES [I-].C[n+]1ccc2cc(nc3-c4ccccc4-c1c23)-c1ccccc1
Show InChI InChI=1S/C21H15N2/c1-23-12-11-15-13-18(14-7-3-2-4-8-14)22-20-16-9-5-6-10-17(16)21(23)19(15)20/h2-13H,1H3/q+1
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n/an/a 2.84E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis

Bioorg Med Chem 24: 6119-6130 (2016)


Article DOI: 10.1016/j.bmc.2016.02.028
BindingDB Entry DOI: 10.7270/Q2BG2QZJ
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50202841
PNG
(CHEMBL3972163)
Show SMILES [I-].C[n+]1ccc2ccnc3-c4ccccc4-c1c23
Show InChI InChI=1S/C15H11N2/c1-17-9-7-10-6-8-16-14-11-4-2-3-5-12(11)15(17)13(10)14/h2-9H,1H3/q+1
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n/an/a 2.88E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis

Bioorg Med Chem 24: 6119-6130 (2016)


Article DOI: 10.1016/j.bmc.2016.02.028
BindingDB Entry DOI: 10.7270/Q2BG2QZJ
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50203038
PNG
(CHEMBL3975075)
Show SMILES [Br-].Cc1cc2cc[n+](Cc3ccccc3)c3-c4ccccc4-c(n1)c23
Show InChI InChI=1S/C22H17N2/c1-15-13-17-11-12-24(14-16-7-3-2-4-8-16)22-19-10-6-5-9-18(19)21(23-15)20(17)22/h2-13H,14H2,1H3/q+1
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n/an/a 3.08E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis

Bioorg Med Chem 24: 6119-6130 (2016)


Article DOI: 10.1016/j.bmc.2016.02.028
BindingDB Entry DOI: 10.7270/Q2BG2QZJ
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50203037
PNG
(CHEMBL3890769)
Show SMILES [Br-].COc1cc(C[n+]2ccc3ccnc4-c5ccccc5-c2c34)cc(OC)c1
Show InChI InChI=1S/C23H19N2O2/c1-26-17-11-15(12-18(13-17)27-2)14-25-10-8-16-7-9-24-22-19-5-3-4-6-20(19)23(25)21(16)22/h3-13H,14H2,1-2H3/q+1
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n/an/a 3.44E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis

Bioorg Med Chem 24: 6119-6130 (2016)


Article DOI: 10.1016/j.bmc.2016.02.028
BindingDB Entry DOI: 10.7270/Q2BG2QZJ
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50203039
PNG
(CHEMBL3903152)
Show SMILES Cc1cc(C)cc(CS([O-])(=O)=O)c1.N[n+]1ccc2ccnc3-c4ccccc4-c1c23
Show InChI InChI=1S/C14H10N3/c15-17-8-6-9-5-7-16-13-10-3-1-2-4-11(10)14(17)12(9)13/h1-8H,15H2/q+1
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n/an/a 3.57E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis

Bioorg Med Chem 24: 6119-6130 (2016)


Article DOI: 10.1016/j.bmc.2016.02.028
BindingDB Entry DOI: 10.7270/Q2BG2QZJ
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50203045
PNG
(CHEMBL3915026)
Show SMILES [I-].CC[n+]1ccc2ccnc3-c4ccccc4-c1c23
Show InChI InChI=1S/C16H13N2/c1-2-18-10-8-11-7-9-17-15-12-5-3-4-6-13(12)16(18)14(11)15/h3-10H,2H2,1H3/q+1
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n/an/a 4.16E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis

Bioorg Med Chem 24: 6119-6130 (2016)


Article DOI: 10.1016/j.bmc.2016.02.028
BindingDB Entry DOI: 10.7270/Q2BG2QZJ
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50203047
PNG
(CHEMBL3932850)
Show SMILES [Br-].Cc1ccc-2c(c1)-c1[n+](Cc3ccccc3)ccc3ccnc-2c13
Show InChI InChI=1S/C22H17N2/c1-15-7-8-18-19(13-15)22-20-17(9-11-23-21(18)20)10-12-24(22)14-16-5-3-2-4-6-16/h2-13H,14H2,1H3/q+1
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n/an/a 4.62E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis

Bioorg Med Chem 24: 6119-6130 (2016)


Article DOI: 10.1016/j.bmc.2016.02.028
BindingDB Entry DOI: 10.7270/Q2BG2QZJ
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50202834
PNG
(CHEMBL3957092)
Show SMILES [Br-].Brc1cccc(C[n+]2ccc3ccnc4-c5ccccc5-c2c34)c1
Show InChI InChI=1S/C21H14BrN2/c22-16-5-3-4-14(12-16)13-24-11-9-15-8-10-23-20-17-6-1-2-7-18(17)21(24)19(15)20/h1-12H,13H2/q+1
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n/an/a 4.84E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis

Bioorg Med Chem 24: 6119-6130 (2016)


Article DOI: 10.1016/j.bmc.2016.02.028
BindingDB Entry DOI: 10.7270/Q2BG2QZJ
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50203050
PNG
(CHEMBL3984682)
Show SMILES [Br-].[O-][N+](=O)c1ccc(C[n+]2ccc3ccnc4-c5ccccc5-c2c34)cc1
Show InChI InChI=1S/C21H14N3O2/c25-24(26)16-7-5-14(6-8-16)13-23-12-10-15-9-11-22-20-17-3-1-2-4-18(17)21(23)19(15)20/h1-12H,13H2/q+1
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n/an/a 4.99E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis

Bioorg Med Chem 24: 6119-6130 (2016)


Article DOI: 10.1016/j.bmc.2016.02.028
BindingDB Entry DOI: 10.7270/Q2BG2QZJ
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50202863
PNG
(CHEMBL3896944)
Show SMILES [Br-].Clc1cccc(C[n+]2ccc3ccnc4-c5ccccc5-c2c34)c1
Show InChI InChI=1S/C21H14ClN2/c22-16-5-3-4-14(12-16)13-24-11-9-15-8-10-23-20-17-6-1-2-7-18(17)21(24)19(15)20/h1-12H,13H2/q+1
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n/an/a 5.36E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis

Bioorg Med Chem 24: 6119-6130 (2016)


Article DOI: 10.1016/j.bmc.2016.02.028
BindingDB Entry DOI: 10.7270/Q2BG2QZJ
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50202895
PNG
(CHEMBL3976611)
Show SMILES [Br-].FC(F)(F)c1ccc(C[n+]2ccc3ccnc4-c5ccccc5-c2c34)cc1
Show InChI InChI=1S/C22H14F3N2/c23-22(24,25)16-7-5-14(6-8-16)13-27-12-10-15-9-11-26-20-17-3-1-2-4-18(17)21(27)19(15)20/h1-12H,13H2/q+1
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n/an/a 6.99E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis

Bioorg Med Chem 24: 6119-6130 (2016)


Article DOI: 10.1016/j.bmc.2016.02.028
BindingDB Entry DOI: 10.7270/Q2BG2QZJ
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50203066
PNG
(CHEMBL3904846)
Show SMILES [Br-].C(c1ccc2ccccc2c1)[n+]1ccc2ccnc3-c4ccccc4-c1c23
Show InChI InChI=1S/C25H17N2/c1-2-6-20-15-17(9-10-18(20)5-1)16-27-14-12-19-11-13-26-24-21-7-3-4-8-22(21)25(27)23(19)24/h1-15H,16H2/q+1
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n/an/a 7.05E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis

Bioorg Med Chem 24: 6119-6130 (2016)


Article DOI: 10.1016/j.bmc.2016.02.028
BindingDB Entry DOI: 10.7270/Q2BG2QZJ
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50203112
PNG
(CHEMBL3984838)
Show SMILES [Br-].C(c1ccccc1)[n+]1ccc2ccnc3-c4ccccc4-c1c23
Show InChI InChI=1S/C21H15N2/c1-2-6-15(7-3-1)14-23-13-11-16-10-12-22-20-17-8-4-5-9-18(17)21(23)19(16)20/h1-13H,14H2/q+1
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n/an/a 1.01E+5n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis

Bioorg Med Chem 24: 6119-6130 (2016)


Article DOI: 10.1016/j.bmc.2016.02.028
BindingDB Entry DOI: 10.7270/Q2BG2QZJ
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50203051
PNG
(CHEMBL3985749)
Show SMILES [Br-].Fc1ccc(C[n+]2ccc3ccnc4-c5ccccc5-c2c34)c(F)c1
Show InChI InChI=1S/C21H13F2N2/c22-15-6-5-14(18(23)11-15)12-25-10-8-13-7-9-24-20-16-3-1-2-4-17(16)21(25)19(13)20/h1-11H,12H2/q+1
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n/an/a 1.09E+5n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis

Bioorg Med Chem 24: 6119-6130 (2016)


Article DOI: 10.1016/j.bmc.2016.02.028
BindingDB Entry DOI: 10.7270/Q2BG2QZJ
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50202839
PNG
(CHEMBL3968109)
Show SMILES [Br-].Fc1ccc(C[n+]2ccc3ccnc4-c5ccccc5-c2c34)cc1
Show InChI InChI=1S/C21H14FN2/c22-16-7-5-14(6-8-16)13-24-12-10-15-9-11-23-20-17-3-1-2-4-18(17)21(24)19(15)20/h1-12H,13H2/q+1
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n/an/a 1.27E+5n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis

Bioorg Med Chem 24: 6119-6130 (2016)


Article DOI: 10.1016/j.bmc.2016.02.028
BindingDB Entry DOI: 10.7270/Q2BG2QZJ
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50202836
PNG
(CHEMBL3894198)
Show SMILES [Br-].O=C(C[n+]1ccc2ccnc3-c4ccccc4-c1c23)c1ccccc1
Show InChI InChI=1S/C22H15N2O/c25-19(15-6-2-1-3-7-15)14-24-13-11-16-10-12-23-21-17-8-4-5-9-18(17)22(24)20(16)21/h1-13H,14H2/q+1
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n/an/a 1.36E+5n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis

Bioorg Med Chem 24: 6119-6130 (2016)


Article DOI: 10.1016/j.bmc.2016.02.028
BindingDB Entry DOI: 10.7270/Q2BG2QZJ
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50203067
PNG
(CHEMBL3922223)
Show SMILES [Br-].CCOC(=O)C[n+]1ccc2ccnc3-c4ccccc4-c1c23
Show InChI InChI=1S/C18H15N2O2/c1-2-22-15(21)11-20-10-8-12-7-9-19-17-13-5-3-4-6-14(13)18(20)16(12)17/h3-10H,2,11H2,1H3/q+1
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n/an/a 2.42E+5n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis

Bioorg Med Chem 24: 6119-6130 (2016)


Article DOI: 10.1016/j.bmc.2016.02.028
BindingDB Entry DOI: 10.7270/Q2BG2QZJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%