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Compile Data Set for Download or QSAR

Found 34 hits with Last Name = 'fletcher' and Initial = 'w'   
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 I (Topo I)


(Homo sapiens (Human))
BDBM50033772
PNG
(CHEMBL354432 | ethyl 8-ethyl-8-hydroxy-9,12-dioxo-...)
Show SMILES CCOC(=O)c1c2Cn3c(cc4c(COC(=O)C4(O)CC)c3=O)-c2nc2cc3OCCOc3cc12
Show InChI InChI=1S/C25H22N2O8/c1-3-25(31)15-8-17-21-13(10-27(17)22(28)14(15)11-35-24(25)30)20(23(29)32-4-2)12-7-18-19(9-16(12)26-21)34-6-5-33-18/h7-9,31H,3-6,10-11H2,1-2H3
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n/an/a 700n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against topoisomerase I obtained from calf thymus


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50033802
PNG
((R)-4-Ethyl-7-[5-fluoro-2-oxo-1,2-dihydro-indol-(3...)
Show SMILES CC[C@]1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2ccc(F)cc12
Show InChI InChI=1S/C21H15FN2O6/c1-2-21(29)13-6-15-17(25)11(7-24(15)19(27)12(13)8-30-20(21)28)16-10-5-9(22)3-4-14(10)23-18(16)26/h3-6,29H,2,7-8H2,1H3,(H,23,26)/b16-11+/t21-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine topoisomerase I, using cleavable complex assay.


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50033787
PNG
(4-Ethyl-7-[5-fluoro-2-oxo-1,2-dihydro-indol-(3E)-y...)
Show SMILES CCC1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2ccc(F)cc12
Show InChI InChI=1S/C21H15FN2O6/c1-2-21(29)13-6-15-17(25)11(7-24(15)19(27)12(13)8-30-20(21)28)16-10-5-9(22)3-4-14(10)23-18(16)26/h3-6,29H,2,7-8H2,1H3,(H,23,26)/b16-11+
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n/an/a 1.20E+3n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine topoisomerase I, using cleavable complex assay.


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50033771
PNG
(4-Ethyl-4-hydroxy-10-iodo-3,13-dioxo-3,4,12,13-tet...)
Show SMILES CCC1(O)C(=O)OCc2c1cc1-c3nc4cccc(I)c4c(C(O)=O)c3Cn1c2=O
Show InChI InChI=1S/C21H15IN2O6/c1-2-21(29)11-6-14-17-9(7-24(14)18(25)10(11)8-30-20(21)28)15(19(26)27)16-12(22)4-3-5-13(16)23-17/h3-6,29H,2,7-8H2,1H3,(H,26,27)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against topoisomerase I obtained from calf thymus


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50033785
PNG
((R)-7-[5,6-Difluoro-2-oxo-1,2-dihydro-indol-(3E)-y...)
Show SMILES CC[C@]1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2cc(F)c(F)cc12
Show InChI InChI=1S/C21H14F2N2O6/c1-2-21(30)11-4-15-17(26)9(6-25(15)19(28)10(11)7-31-20(21)29)16-8-3-12(22)13(23)5-14(8)24-18(16)27/h3-5,30H,2,6-7H2,1H3,(H,24,27)/b16-9+/t21-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine topoisomerase I, using cleavable complex assay.


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50033776
PNG
(7-[5,6-Difluoro-2-oxo-1,2-dihydro-indol-(3E)-ylide...)
Show SMILES CCC1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2cc(F)c(F)cc12
Show InChI InChI=1S/C21H14F2N2O6/c1-2-21(30)11-4-15-17(26)9(6-25(15)19(28)10(11)7-31-20(21)29)16-8-3-12(22)13(23)5-14(8)24-18(16)27/h3-5,30H,2,6-7H2,1H3,(H,24,27)/b16-9+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine topoisomerase I, using cleavable complex assay.


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50033783
PNG
(4-Ethyl-8,9-difluoro-4-hydroxy-3,13-dioxo-3,4,12,1...)
Show SMILES CCC1(O)C(=O)OCc2c1cc1-c3nc4cc(F)c(F)cc4c(C(O)=O)c3Cn1c2=O
Show InChI InChI=1S/C21H14F2N2O6/c1-2-21(30)11-4-15-17-9(6-25(15)18(26)10(11)7-31-20(21)29)16(19(27)28)8-3-12(22)13(23)5-14(8)24-17/h3-5,30H,2,6-7H2,1H3,(H,27,28)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against topoisomerase I obtained from calf thymus


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50033797
PNG
((R)-4-Ethyl-4-hydroxy-7-[5-methyl-2-oxo-1,2-dihydr...)
Show SMILES CC[C@]1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2ccc(C)cc12
Show InChI InChI=1S/C22H18N2O6/c1-3-22(29)14-7-16-18(25)12(8-24(16)20(27)13(14)9-30-21(22)28)17-11-6-10(2)4-5-15(11)23-19(17)26/h4-7,29H,3,8-9H2,1-2H3,(H,23,26)/b17-12+/t22-/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine topoisomerase I, using cleavable complex assay.


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50033798
PNG
((R)-4-Ethyl-4-hydroxy-9-methyl-3,13-dioxo-3,4,12,1...)
Show SMILES CC[C@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(C)cc4c(C(O)=O)c3Cn1c2=O
Show InChI InChI=1S/C22H18N2O6/c1-3-22(29)14-7-16-18-12(8-24(16)19(25)13(14)9-30-21(22)28)17(20(26)27)11-6-10(2)4-5-15(11)23-18/h4-7,29H,3,8-9H2,1-2H3,(H,26,27)/t22-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against topoisomerase I obtained from calf thymus


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50033796
PNG
((R)-4-Ethyl-4-hydroxy-3,13-dioxo-3,4,12,13-tetrahy...)
Show SMILES CC[C@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4c(C(O)=O)c3Cn1c2=O
Show InChI InChI=1S/C21H16N2O6/c1-2-21(28)13-7-15-17-11(8-23(15)18(24)12(13)9-29-20(21)27)16(19(25)26)10-5-3-4-6-14(10)22-17/h3-7,28H,2,8-9H2,1H3,(H,25,26)/t21-/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against topoisomerase I obtained from calf thymus


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50033801
PNG
(4-Ethyl-4-hydroxy-9-iodo-3,13-dioxo-3,4,12,13-tetr...)
Show SMILES CCC1(O)C(=O)OCc2c1cc1-c3nc4ccc(I)cc4c(C(O)=O)c3Cn1c2=O
Show InChI InChI=1S/C21H15IN2O6/c1-2-21(29)13-6-15-17-11(7-24(15)18(25)12(13)8-30-20(21)28)16(19(26)27)10-5-9(22)3-4-14(10)23-17/h3-6,29H,2,7-8H2,1H3,(H,26,27)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against topoisomerase I obtained from calf thymus


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50033775
PNG
((R)-4-Ethyl-9-fluoro-4-hydroxy-3,13-dioxo-3,4,12,1...)
Show SMILES CC[C@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(F)cc4c(C(O)=O)c3Cn1c2=O
Show InChI InChI=1S/C21H15FN2O6/c1-2-21(29)13-6-15-17-11(7-24(15)18(25)12(13)8-30-20(21)28)16(19(26)27)10-5-9(22)3-4-14(10)23-17/h3-6,29H,2,7-8H2,1H3,(H,26,27)/t21-/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against topoisomerase I obtained from calf thymus


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50033789
PNG
(4-Ethyl-9-fluoro-4-hydroxy-3,13-dioxo-3,4,12,13-te...)
Show SMILES CCC1(O)C(=O)OCc2c1cc1-c3nc4ccc(F)cc4c(C(O)=O)c3Cn1c2=O
Show InChI InChI=1S/C21H15FN2O6/c1-2-21(29)13-6-15-17-11(7-24(15)18(25)12(13)8-30-20(21)28)16(19(26)27)10-5-9(22)3-4-14(10)23-17/h3-6,29H,2,7-8H2,1H3,(H,26,27)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against topoisomerase I obtained from calf thymus


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50033778
PNG
((R)-4-Ethyl-4-hydroxy-7-[2-oxo-1,2-dihydro-indol-(...)
Show SMILES CC[C@]1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2ccccc12
Show InChI InChI=1S/C21H16N2O6/c1-2-21(28)13-7-15-17(24)11(8-23(15)19(26)12(13)9-29-20(21)27)16-10-5-3-4-6-14(10)22-18(16)25/h3-7,28H,2,8-9H2,1H3,(H,22,25)/b16-11+/t21-/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine topoisomerase I, using cleavable complex assay.


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50033769
PNG
(4-Ethyl-4-hydroxy-7-[2-oxo-1,2-dihydro-indol-(3E)-...)
Show SMILES CCC1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2ccccc12
Show InChI InChI=1S/C21H16N2O6/c1-2-21(28)13-7-15-17(24)11(8-23(15)19(26)12(13)9-29-20(21)27)16-10-5-3-4-6-14(10)22-18(16)25/h3-7,28H,2,8-9H2,1H3,(H,22,25)/b16-11+
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n/an/a 5.80E+3n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine topoisomerase I, using cleavable complex assay.


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50033780
PNG
((R)-4-Ethyl-4-hydroxy-7-[5-iodo-2-oxo-1,2-dihydro-...)
Show SMILES CC[C@]1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2ccc(I)cc12
Show InChI InChI=1S/C21H15IN2O6/c1-2-21(29)13-6-15-17(25)11(7-24(15)19(27)12(13)8-30-20(21)28)16-10-5-9(22)3-4-14(10)23-18(16)26/h3-6,29H,2,7-8H2,1H3,(H,23,26)/b16-11+/t21-/m1/s1
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n/an/a 1.21E+4n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine topoisomerase I, using cleavable complex assay.


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50033784
PNG
(8-ethyl-8-hydroxy-9,12-dioxo-2,3,8,9,12,14-hexahyd...)
Show SMILES CCC1(O)C(=O)OCc2c1cc1-c3nc4cc5OCCOc5cc4c(C(O)=O)c3Cn1c2=O
Show InChI InChI=1S/C23H18N2O8/c1-2-23(30)13-6-15-19-11(8-25(15)20(26)12(13)9-33-22(23)29)18(21(27)28)10-5-16-17(7-14(10)24-19)32-4-3-31-16/h5-7,30H,2-4,8-9H2,1H3,(H,27,28)
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n/an/a 2.41E+4n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against topoisomerase I obtained from calf thymus


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50033799
PNG
(4-Ethyl-4-hydroxy-7-[7-oxo-2,3,6,7-tetrahydro-[1,4...)
Show SMILES CCC1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2cc3OCCOc3cc12
Show InChI InChI=1S/C23H18N2O8/c1-2-23(30)13-6-15-19(26)11(8-25(15)21(28)12(13)9-33-22(23)29)18-10-5-16-17(32-4-3-31-16)7-14(10)24-20(18)27/h5-7,30H,2-4,8-9H2,1H3,(H,24,27)/b18-11+
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n/an/a 2.96E+4n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine topoisomerase I, using cleavable complex assay.


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50033791
PNG
(4-Ethyl-4-hydroxy-7-[5-iodo-2-oxo-1,2-dihydro-indo...)
Show SMILES CCC1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2ccc(I)cc12
Show InChI InChI=1S/C21H15IN2O6/c1-2-21(29)13-6-15-17(25)11(7-24(15)19(27)12(13)8-30-20(21)28)16-10-5-9(22)3-4-14(10)23-18(16)26/h3-6,29H,2,7-8H2,1H3,(H,23,26)/b16-11+
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n/an/a 3.20E+4n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine topoisomerase I, using cleavable complex assay.


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50033773
PNG
(7-[5-Chloro-2-oxo-1,2-dihydro-indol-(3E)-ylidene]-...)
Show SMILES CCC1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C21H15ClN2O6/c1-2-21(29)13-6-15-17(25)11(7-24(15)19(27)12(13)8-30-20(21)28)16-10-5-9(22)3-4-14(10)23-18(16)26/h3-6,29H,2,7-8H2,1H3,(H,23,26)/b16-11+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine topoisomerase I, using cleavable complex assay.


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50033800
PNG
(4-Ethyl-4-hydroxy-7-[5-nitro-2-oxo-1,2-dihydro-ind...)
Show SMILES CCC1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C21H15N3O8/c1-2-21(29)13-6-15-17(25)11(7-23(15)19(27)12(13)8-32-20(21)28)16-10-5-9(24(30)31)3-4-14(10)22-18(16)26/h3-6,29H,2,7-8H2,1H3,(H,22,26)/b16-11+
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Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine topoisomerase I, using cleavable complex assay.


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50033795
PNG
((S)-4-Ethyl-9-fluoro-4-hydroxy-3,13-dioxo-3,4,12,1...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(F)cc4c(C(O)=O)c3Cn1c2=O
Show InChI InChI=1S/C21H15FN2O6/c1-2-21(29)13-6-15-17-11(7-24(15)18(25)12(13)8-30-20(21)28)16(19(26)27)10-5-9(22)3-4-14(10)23-17/h3-6,29H,2,7-8H2,1H3,(H,26,27)/t21-/m0/s1
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Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against topoisomerase I obtained from calf thymus


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50033794
PNG
(4-Ethyl-4-hydroxy-7-[6-methoxy-2-oxo-1,2-dihydro-i...)
Show SMILES CCC1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2cc(OC)ccc12
Show InChI InChI=1S/C22H18N2O7/c1-3-22(29)14-7-16-18(25)12(8-24(16)20(27)13(14)9-31-21(22)28)17-11-5-4-10(30-2)6-15(11)23-19(17)26/h4-7,29H,3,8-9H2,1-2H3,(H,23,26)/b17-12+
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Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine topoisomerase I, using cleavable complex assay.


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50033792
PNG
((R)-7-[5-Bromo-2-oxo-1,2-dihydro-indol-(3E)-yliden...)
Show SMILES CC[C@]1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2ccc(Br)cc12
Show InChI InChI=1S/C21H15BrN2O6/c1-2-21(29)13-6-15-17(25)11(7-24(15)19(27)12(13)8-30-20(21)28)16-10-5-9(22)3-4-14(10)23-18(16)26/h3-6,29H,2,7-8H2,1H3,(H,23,26)/b16-11+/t21-/m1/s1
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Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine topoisomerase I, using cleavable complex assay.


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50033793
PNG
(4-Ethyl-4-hydroxy-7-[5,6,7-trifluoro-2-oxo-1,2-dih...)
Show SMILES CCC1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2c1cc(F)c(F)c2F
Show InChI InChI=1S/C21H13F3N2O6/c1-2-21(31)10-4-12-17(27)8(5-26(12)19(29)9(10)6-32-20(21)30)13-7-3-11(22)14(23)15(24)16(7)25-18(13)28/h3-4,31H,2,5-6H2,1H3,(H,25,28)/b13-8+
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Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine topoisomerase I, using cleavable complex assay.


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50033790
PNG
((R)-4-Ethyl-4-hydroxy-7-[6-methylsulfanyl-2-oxo-1,...)
Show SMILES CC[C@]1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2cc(SC)ccc12
Show InChI InChI=1S/C22H18N2O6S/c1-3-22(29)14-7-16-18(25)12(8-24(16)20(27)13(14)9-30-21(22)28)17-11-5-4-10(31-2)6-15(11)23-19(17)26/h4-7,29H,3,8-9H2,1-2H3,(H,23,26)/b17-12+/t22-/m1/s1
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Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine topoisomerase I, using cleavable complex assay.


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50033770
PNG
((R)-7-[7-Chloro-2-oxo-1,2-dihydro-indol-(3E)-ylide...)
Show SMILES CC[C@]1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2c1cccc2Cl
Show InChI InChI=1S/C21H15ClN2O6/c1-2-21(29)12-6-14-17(25)10(7-24(14)19(27)11(12)8-30-20(21)28)15-9-4-3-5-13(22)16(9)23-18(15)26/h3-6,29H,2,7-8H2,1H3,(H,23,26)/b15-10+/t21-/m1/s1
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Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine topoisomerase I, using cleavable complex assay.


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50033786
PNG
(4-Ethyl-4-hydroxy-7-[1-methyl-2-oxo-1,2-dihydro-in...)
Show SMILES CCC1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)N(C)c2ccccc12
Show InChI InChI=1S/C22H18N2O6/c1-3-22(29)14-8-16-18(25)12(9-24(16)19(26)13(14)10-30-21(22)28)17-11-6-4-5-7-15(11)23(2)20(17)27/h4-8,29H,3,9-10H2,1-2H3/b17-12+
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Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine topoisomerase I, using cleavable complex assay.


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50033779
PNG
((R)-4-Ethyl-4-hydroxy-7-[5-methyl-7-nitro-2-oxo-1,...)
Show SMILES CC[C@]1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2c1cc(C)cc2[N+]([O-])=O
Show InChI InChI=1S/C22H17N3O8/c1-3-22(30)13-6-15-18(26)11(7-24(15)20(28)12(13)8-33-21(22)29)16-10-4-9(2)5-14(25(31)32)17(10)23-19(16)27/h4-6,30H,3,7-8H2,1-2H3,(H,23,27)/b16-11+/t22-/m1/s1
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Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine topoisomerase I, using cleavable complex assay.


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50033781
PNG
((R)-4-Ethyl-4-hydroxy-7-[7-methyl-2-oxo-1,2-dihydr...)
Show SMILES CC[C@]1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2c1cccc2C
Show InChI InChI=1S/C22H18N2O6/c1-3-22(29)14-7-15-18(25)12(8-24(15)20(27)13(14)9-30-21(22)28)16-11-6-4-5-10(2)17(11)23-19(16)26/h4-7,29H,3,8-9H2,1-2H3,(H,23,26)/b16-12+/t22-/m1/s1
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Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine topoisomerase I, using cleavable complex assay.


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50033782
PNG
(4-Ethyl-7-[6-fluoro-7-methyl-2-oxo-1,2-dihydro-ind...)
Show SMILES CCC1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2c1ccc(F)c2C
Show InChI InChI=1S/C22H17FN2O6/c1-3-22(30)13-6-15-18(26)11(7-25(15)20(28)12(13)8-31-21(22)29)16-10-4-5-14(23)9(2)17(10)24-19(16)27/h4-6,30H,3,7-8H2,1-2H3,(H,24,27)/b16-11+
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Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine topoisomerase I, using cleavable complex assay.


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50033777
PNG
((S)-4-Ethyl-7-[5-fluoro-2-oxo-1,2-dihydro-indol-(3...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2ccc(F)cc12
Show InChI InChI=1S/C21H15FN2O6/c1-2-21(29)13-6-15-17(25)11(7-24(15)19(27)12(13)8-30-20(21)28)16-10-5-9(22)3-4-14(10)23-18(16)26/h3-6,29H,2,7-8H2,1H3,(H,23,26)/b16-11+/t21-/m0/s1
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Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine topoisomerase I, using cleavable complex assay.


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50033774
PNG
((R)-4-Ethyl-4-hydroxy-7-[2-oxo-6-trifluoromethoxy-...)
Show SMILES CC[C@]1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C22H15F3N2O7/c1-2-21(32)13-6-15-17(28)11(7-27(15)19(30)12(13)8-33-20(21)31)16-10-4-3-9(34-22(23,24)25)5-14(10)26-18(16)29/h3-6,32H,2,7-8H2,1H3,(H,26,29)/b16-11+/t21-/m1/s1
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Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine topoisomerase I, using cleavable complex assay.


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50033788
PNG
((S)-4-Ethyl-4-hydroxy-7-[2-oxo-1,2-dihydro-indol-(...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2ccccc12
Show InChI InChI=1S/C21H16N2O6/c1-2-21(28)13-7-15-17(24)11(8-23(15)19(26)12(13)9-29-20(21)27)16-10-5-3-4-6-14(10)22-18(16)25/h3-7,28H,2,8-9H2,1H3,(H,22,25)/b16-11+/t21-/m0/s1
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Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine topoisomerase I, using cleavable complex assay.


J Med Chem 38: 906-11 (1995)


Article DOI: 10.1021/jm00006a008
BindingDB Entry DOI: 10.7270/Q2XG9Q55
More data for this
Ligand-Target Pair