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Compile Data Set for Download or QSAR

Found 570 hits Enz. Inhib. hit(s) with Target = 'DNA topoisomerase I' 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
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50142519
PNG
(CHEMBL47027 | N-[2-(3,4,5-triihydroxy-benzoylamino...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)Nc1ccccc1NC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C20H16N2O8/c23-13-5-9(6-14(24)17(13)27)19(29)21-11-3-1-2-4-12(11)22-20(30)10-7-15(25)18(28)16(26)8-10/h1-8,23-28H,(H,21,29)(H,22,30)
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400n/an/an/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of relaxation activities of DNA topoisomerase I with respect to pBR322 DNA


Bioorg Med Chem Lett 14: 1669-72 (2004)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50036132
PNG
(15-chloromethyl-8-ethyl-8-hydroxy-(8S)-2,3,8,9,12,...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCCOc5cc4c(CCl)c3Cn1c2=O
Show InChI InChI=1S/C23H19ClN2O6/c1-2-23(29)15-6-17-20-13(9-26(17)21(27)14(15)10-32-22(23)28)12(8-24)11-5-18-19(7-16(11)25-20)31-4-3-30-18/h5-7,29H,2-4,8-10H2,1H3/t23-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase I activity was determined in vitro by using the cleavable complex assay(calf thymus)


J Med Chem 38: 395-401 (1995)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50036129
PNG
(14-chloromethyl-7-ethyl-7-hydroxy-(7S)-7,8,11,13-t...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(CCl)c3Cn1c2=O
Show InChI InChI=1S/C22H17ClN2O6/c1-2-22(28)14-4-16-19-12(7-25(16)20(26)13(14)8-29-21(22)27)11(6-23)10-3-17-18(31-9-30-17)5-15(10)24-19/h3-5,28H,2,6-9H2,1H3/t22-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase I activity was determined in vitro by using the cleavable complex assay(calf thymus)


J Med Chem 38: 395-401 (1995)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50036133
PNG
(7-ethyl-7-hydroxy-(7S)-7,8,11,13-tetrahydro-10H-[1...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4cc3Cn1c2=O
Show InChI InChI=1S/C21H16N2O6/c1-2-21(26)13-5-15-18-11(7-23(15)19(24)12(13)8-27-20(21)25)3-10-4-16-17(29-9-28-16)6-14(10)22-18/h3-6,26H,2,7-9H2,1H3/t21-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells


J Med Chem 36: 2689-700 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50034013
PNG
((S)-9-Bromo-4-ethyl-4-hydroxy-11-methyl-1,12-dihyd...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cnc(Br)cc4c(C)c3Cn1c2=O
Show InChI InChI=1S/C20H16BrN3O4/c1-3-20(27)13-5-15-17-11(7-24(15)18(25)12(13)8-28-19(20)26)9(2)10-4-16(21)22-6-14(10)23-17/h4-6,27H,3,7-8H2,1-2H3/t20-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
In vitro fragmentation of DNA in the presence of excess calf thymus topoisomerase.


J Med Chem 38: 1106-18 (1995)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50034013
PNG
((S)-9-Bromo-4-ethyl-4-hydroxy-11-methyl-1,12-dihyd...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cnc(Br)cc4c(C)c3Cn1c2=O
Show InChI InChI=1S/C20H16BrN3O4/c1-3-20(27)13-5-15-17-11(7-24(15)18(25)12(13)8-28-19(20)26)9(2)10-4-16(21)22-6-14(10)23-17/h4-6,27H,3,7-8H2,1-2H3/t20-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



NeoGenesis, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase I


J Med Chem 43: 1993-2006 (2000)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50036133
PNG
(7-ethyl-7-hydroxy-(7S)-7,8,11,13-tetrahydro-10H-[1...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4cc3Cn1c2=O
Show InChI InChI=1S/C21H16N2O6/c1-2-21(26)13-5-15-18-11(7-23(15)19(24)12(13)8-27-20(21)25)3-10-4-16-17(29-9-28-16)6-14(10)22-18/h3-6,26H,2,7-9H2,1H3/t21-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit calf thymus topoisomerase I when assayed in the cleavable complex formation


Bioorg Med Chem Lett 5: 2129-2132 (1995)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50073854
PNG
(2,10-dihydroxy-12-(3,4,5-trihydroxy-6-hydroxymethy...)
Show SMILES OCC1OC(C(O)C(O)C1O)n1c2cc(O)ccc2c2c3C(=O)NC(=O)c3c3c4ccc(O)cc4[nH]c3c12
Show InChI InChI=1S/C26H21N3O9/c30-7-14-21(33)22(34)23(35)26(38-14)29-13-6-9(32)2-4-11(13)16-18-17(24(36)28-25(18)37)15-10-3-1-8(31)5-12(10)27-19(15)20(16)29/h1-6,14,21-23,26-27,30-35H,7H2,(H,28,36,37)
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n/an/a 30n/an/an/an/an/an/a



deCODE BioStructures

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase I-DNA complex in trapping assay


J Med Chem 48: 2336-45 (2005)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50034009
PNG
((S)-4,11-Diethyl-4-hydroxy-3,13-dioxo-3,4,12,13-te...)
Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cnc(cc12)C(N)=N
Show InChI InChI=1S/C22H21N5O4/c1-3-10-11-5-15(19(23)24)25-7-16(11)26-18-12(10)8-27-17(18)6-14-13(20(27)28)9-31-21(29)22(14,30)4-2/h5-7,30H,3-4,8-9H2,1-2H3,(H3,23,24)/t22-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
Minimum concentration that produced 50% fragmentation of DNA was measured in the presence of excess calf thymus topoisomerase.


J Med Chem 38: 1106-18 (1995)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50422003
PNG
(CHEMBL10741)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cccc(C)c4cc3Cn1c2=O
Show InChI InChI=1S/C21H18N2O4/c1-3-21(26)15-8-17-18-12(7-13-11(2)5-4-6-16(13)22-18)9-23(17)19(24)14(15)10-27-20(21)25/h4-8,26H,3,9-10H2,1-2H3/t21-/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells


J Med Chem 36: 2689-700 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50045377
PNG
((20R)-7-ethyl-7-hydroxy-7,8,11,13-tetrahydro-10H-[...)
Show SMILES CCC1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4cc3Cn1c2=O
Show InChI InChI=1S/C21H16N2O6/c1-2-21(26)13-5-15-18-11(7-23(15)19(24)12(13)8-27-20(21)25)3-10-4-16-17(29-9-28-16)6-14(10)22-18/h3-6,26H,2,7-9H2,1H3
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n/an/a 38n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of Topoisomerase I by cleavage complex formation in intact human HL-60 cells


J Med Chem 36: 2689-700 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50406999
PNG
(CHEMBL2114243)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5c(N)c4cc3Cn1c2=O
Show InChI InChI=1S/C21H17N3O6/c1-2-21(27)12-4-14-17-9(6-24(14)19(25)11(12)7-28-20(21)26)3-10-13(23-17)5-15-18(16(10)22)30-8-29-15/h3-5,27H,2,6-8,22H2,1H3/t21-/m0/s1
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n/an/a 48n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells


J Med Chem 36: 2689-700 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50008935
PNG
((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O
Show InChI InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



deCODE BioStructures

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase I-DNA complex in trapping assay


J Med Chem 48: 2336-45 (2005)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50250996
PNG
(CHEMBL525240 | TANNIN | chebulagic acid | chebulan...)
Show SMILES O[C@H]1[C@H]2[C@H](CC(O)=O)C(=O)O[C@@H]3[C@H]4COC(=O)c5cc(c(O)c(O)c5O)-c5c(O)c(O)c(O)cc5C(=O)O[C@@H]3[C@@H](OC(=O)c3cc(O)c(O)c(OC1=O)c23)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O4
Show InChI InChI=1S/C41H30O27/c42-14-1-8(2-15(43)25(14)50)35(56)68-41-34-33-31(64-39(60)12(6-19(46)47)21-22-11(38(59)67-34)5-17(45)27(52)32(22)65-40(61)29(21)54)18(63-41)7-62-36(57)13-3-9(23(48)30(55)24(13)49)20-10(37(58)66-33)4-16(44)26(51)28(20)53/h1-5,12,18,21,29,31,33-34,41-45,48-55H,6-7H2,(H,46,47)/t12-,18+,21-,29-,31+,33-,34+,41-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human COLO201 cellular topoisomerase-1 mediated plasmid DNA cleavage by electrophoresis in presence of 14 units of enzyme


J Nat Prod 55: 401-413 (1992)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50045368
PNG
((20S)-15-chloro-7-ethyl-7-hydroxy-7,8,11,13-tetrah...)
Show SMILES CCC1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5c(Cl)c4cc3Cn1c2=O
Show InChI InChI=1S/C21H15ClN2O6/c1-2-21(27)12-4-14-17-9(6-24(14)19(25)11(12)7-28-20(21)26)3-10-13(23-17)5-15-18(16(10)22)30-8-29-15/h3-5,27H,2,6-8H2,1H3
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n/an/a 61n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells


J Med Chem 36: 2689-700 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50045377
PNG
((20R)-7-ethyl-7-hydroxy-7,8,11,13-tetrahydro-10H-[...)
Show SMILES CCC1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4cc3Cn1c2=O
Show InChI InChI=1S/C21H16N2O6/c1-2-21(26)13-5-15-18-11(7-23(15)19(24)12(13)8-27-20(21)25)3-10-4-16-17(29-9-28-16)6-14(10)22-18/h3-6,26H,2,7-9H2,1H3
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n/an/a 67n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells


J Med Chem 36: 2689-700 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50045381
PNG
((20R)-15-amino-7-ethyl-7-hydroxy-7,8,11,13-tetrahy...)
Show SMILES CCC1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5c(N)c4cc3Cn1c2=O
Show InChI InChI=1S/C21H17N3O6/c1-2-21(27)12-4-14-17-9(6-24(14)19(25)11(12)7-28-20(21)26)3-10-13(23-17)5-15-18(16(10)22)30-8-29-15/h3-5,27H,2,6-8,22H2,1H3
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n/an/a 69n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of Topoisomerase I by cleavage complex formation in intact human HL-60 cells


J Med Chem 36: 2689-700 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50034018
PNG
((S)-4,11-Diethyl-4,N-dihydroxy-3,13-dioxo-3,4,12,1...)
Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cnc(cc12)C(=N)NO
Show InChI InChI=1S/C22H21N5O5/c1-3-10-11-5-15(19(23)26-31)24-7-16(11)25-18-12(10)8-27-17(18)6-14-13(20(27)28)9-32-21(29)22(14,30)4-2/h5-7,30-31H,3-4,8-9H2,1-2H3,(H2,23,26)/t22-/m0/s1
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n/an/a 71n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
Minimum concentration that produced 50% fragmentation of DNA was measured in the presence of excess calf thymus topoisomerase.


J Med Chem 38: 1106-18 (1995)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50045381
PNG
((20R)-15-amino-7-ethyl-7-hydroxy-7,8,11,13-tetrahy...)
Show SMILES CCC1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5c(N)c4cc3Cn1c2=O
Show InChI InChI=1S/C21H17N3O6/c1-2-21(27)12-4-14-17-9(6-24(14)19(25)11(12)7-28-20(21)26)3-10-13(23-17)5-15-18(16(10)22)30-8-29-15/h3-5,27H,2,6-8,22H2,1H3
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n/an/a 76n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells


J Med Chem 36: 2689-700 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50036133
PNG
(7-ethyl-7-hydroxy-(7S)-7,8,11,13-tetrahydro-10H-[1...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4cc3Cn1c2=O
Show InChI InChI=1S/C21H16N2O6/c1-2-21(26)13-5-15-18-11(7-23(15)19(24)12(13)8-27-20(21)25)3-10-4-16-17(29-9-28-16)6-14(10)22-18/h3-6,26H,2,7-9H2,1H3/t21-/m0/s1
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n/an/a 78n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase I activity was determined in vitro by using the cleavable complex assay(calf thymus)


J Med Chem 38: 395-401 (1995)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50407001
PNG
(CHEMBL2114244)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cccc(Cl)c4cc3Cn1c2=O
Show InChI InChI=1S/C20H15ClN2O4/c1-2-20(26)13-7-16-17-10(6-11-14(21)4-3-5-15(11)22-17)8-23(16)18(24)12(13)9-27-19(20)25/h3-7,26H,2,8-9H2,1H3/t20-/m0/s1
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n/an/a 86n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells


J Med Chem 36: 2689-700 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50049295
PNG
(7-ethyl-7-hydroxy-14-(3-hydroxymethyl-1-pyridinium...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(C[n+]4cccc(CO)c4)c3Cn1c2=O
Show InChI InChI=1S/C28H24N3O7/c1-2-28(35)20-7-22-25-18(11-31(22)26(33)19(20)13-36-27(28)34)17(10-30-5-3-4-15(9-30)12-32)16-6-23-24(38-14-37-23)8-21(16)29-25/h3-9,32,35H,2,10-14H2,1H3/q+1/t28-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Glaxo Wellcome Research Institute

Curated by ChEMBL


Assay Description
Average concentration of compound to cause 50% inhibition of topoisomerase-I


J Med Chem 39: 713-9 (1996)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50250996
PNG
(CHEMBL525240 | TANNIN | chebulagic acid | chebulan...)
Show SMILES O[C@H]1[C@H]2[C@H](CC(O)=O)C(=O)O[C@@H]3[C@H]4COC(=O)c5cc(c(O)c(O)c5O)-c5c(O)c(O)c(O)cc5C(=O)O[C@@H]3[C@@H](OC(=O)c3cc(O)c(O)c(OC1=O)c23)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O4
Show InChI InChI=1S/C41H30O27/c42-14-1-8(2-15(43)25(14)50)35(56)68-41-34-33-31(64-39(60)12(6-19(46)47)21-22-11(38(59)67-34)5-17(45)27(52)32(22)65-40(61)29(21)54)18(63-41)7-62-36(57)13-3-9(23(48)30(55)24(13)49)20-10(37(58)66-33)4-16(44)26(51)28(20)53/h1-5,12,18,21,29,31,33-34,41-45,48-55H,6-7H2,(H,46,47)/t12-,18+,21-,29-,31+,33-,34+,41-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human COLO201 cellular topoisomerase-1 mediated plasmid DNA cleavage by electrophoresis in presence of 70 units of enzyme


J Nat Prod 55: 401-413 (1992)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50008922
PNG
((20S)-4-Ethyl-4,9-dihydroxy-1,12-dihydro-4H-2-oxa-...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)cc4cc3Cn1c2=O
Show InChI InChI=1S/C20H16N2O5/c1-2-20(26)14-7-16-17-11(5-10-6-12(23)3-4-15(10)21-17)8-22(16)18(24)13(14)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3/t20-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells


J Med Chem 36: 2689-700 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50008936
PNG
((S)-10-Amino-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-o...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cccc(N)c4cc3Cn1c2=O
Show InChI InChI=1S/C20H17N3O4/c1-2-20(26)13-7-16-17-10(6-11-14(21)4-3-5-15(11)22-17)8-23(16)18(24)12(13)9-27-19(20)25/h3-7,26H,2,8-9,21H2,1H3/t20-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells


J Med Chem 36: 2689-700 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50045383
PNG
((20S)-9,10-Dichloro-4-ethyl-4-hydroxy-1,12-dihydro...)
Show SMILES CCC1(O)C(=O)OCc2c1cc1-c3nc4ccc(Cl)c(Cl)c4cc3Cn1c2=O
Show InChI InChI=1S/C20H14Cl2N2O4/c1-2-20(27)12-6-15-17-9(5-10-14(23-17)4-3-13(21)16(10)22)7-24(15)18(25)11(12)8-28-19(20)26/h3-6,27H,2,7-8H2,1H3
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n/an/a 110n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells


J Med Chem 36: 2689-700 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50034019
PNG
((S)-9-Bromo-4,11-diethyl-4-hydroxy-1,12-dihydro-4H...)
Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cnc(Br)cc12
Show InChI InChI=1S/C21H18BrN3O4/c1-3-10-11-5-17(22)23-7-15(11)24-18-12(10)8-25-16(18)6-14-13(19(25)26)9-29-20(27)21(14,28)4-2/h5-7,28H,3-4,8-9H2,1-2H3/t21-/m0/s1
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n/an/a 122n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
In vitro fragmentation of DNA in the presence of excess calf thymus topoisomerase.


J Med Chem 38: 1106-18 (1995)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50045398
PNG
((20S)-9-Bromo-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-...)
Show SMILES CCC1(O)C(=O)OCc2c1cc1-c3nc4ccc(Br)cc4cc3Cn1c2=O
Show InChI InChI=1S/C20H15BrN2O4/c1-2-20(26)14-7-16-17-11(5-10-6-12(21)3-4-15(10)22-17)8-23(16)18(24)13(14)9-27-19(20)25/h3-7,26H,2,8-9H2,1H3
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n/an/a 130n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells


J Med Chem 36: 2689-700 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50406995
PNG
(CHEMBL2115019)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(Cl)cc4cc3Cn1c2=O
Show InChI InChI=1S/C20H15ClN2O4/c1-2-20(26)14-7-16-17-11(5-10-6-12(21)3-4-15(10)22-17)8-23(16)18(24)13(14)9-27-19(20)25/h3-7,26H,2,8-9H2,1H3/t20-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells


J Med Chem 36: 2689-700 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50049303
PNG
(7-ethyl-7-hydroxy-14-pyrazin-1-ium-1-ylmethyl-(7S)...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(C[n+]4ccncc4)c3Cn1c2=O
Show InChI InChI=1S/C26H21N4O6/c1-2-26(33)18-8-20-23-16(11-30(20)24(31)17(18)12-34-25(26)32)15(10-29-5-3-27-4-6-29)14-7-21-22(36-13-35-21)9-19(14)28-23/h3-9,33H,2,10-13H2,1H3/q+1/t26-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Glaxo Wellcome Research Institute

Curated by ChEMBL


Assay Description
Average concentration of compound to cause 50% inhibition of topoisomerase-I


J Med Chem 39: 713-9 (1996)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50406990
PNG
(CHEMBL102252)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(N)cc4cc3Cn1c2=O
Show InChI InChI=1S/C20H17N3O4/c1-2-20(26)14-7-16-17-11(5-10-6-12(21)3-4-15(10)22-17)8-23(16)18(24)13(14)9-27-19(20)25/h3-7,26H,2,8-9,21H2,1H3/t20-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells


J Med Chem 36: 2689-700 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50034014
PNG
((S)-4-Ethyl-4-hydroxy-11-methyl-3,13-dioxo-3,4,12,...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cnc(cc4c(C)c3Cn1c2=O)C#N
Show InChI InChI=1S/C21H16N4O4/c1-3-21(28)15-5-17-18-13(8-25(17)19(26)14(15)9-29-20(21)27)10(2)12-4-11(6-22)23-7-16(12)24-18/h4-5,7,28H,3,8-9H2,1-2H3/t21-/m0/s1
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n/an/a 143n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
In vitro fragmentation of DNA in the presence of excess calf thymus topoisomerase.


J Med Chem 38: 1106-18 (1995)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50034014
PNG
((S)-4-Ethyl-4-hydroxy-11-methyl-3,13-dioxo-3,4,12,...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cnc(cc4c(C)c3Cn1c2=O)C#N
Show InChI InChI=1S/C21H16N4O4/c1-3-21(28)15-5-17-18-13(8-25(17)19(26)14(15)9-29-20(21)27)10(2)12-4-11(6-22)23-7-16(12)24-18/h4-5,7,28H,3,8-9H2,1-2H3/t21-/m0/s1
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n/an/a 143n/an/an/an/an/an/a



NeoGenesis, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA topoisomerase I


J Med Chem 43: 1993-2006 (2000)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50406997
PNG
(CHEMBL2114245)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5c([N+]([O-])=O)c4cc3Cn1c2=O
Show InChI InChI=1S/C21H15N3O8/c1-2-21(27)12-4-14-16-9(6-23(14)19(25)11(12)7-30-20(21)26)3-10-13(22-16)5-15-18(32-8-31-15)17(10)24(28)29/h3-5,27H,2,6-8H2,1H3/t21-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells


J Med Chem 36: 2689-700 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50285229
PNG
(7-ethyl-7-hydroxy-(7S)-7,8,11,13-tetrahydro-10H-[1...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5ocnc5cc4cc3Cn1c2=O
Show InChI InChI=1S/C21H15N3O5/c1-2-21(27)13-5-16-18-11(7-24(16)19(25)12(13)8-28-20(21)26)3-10-4-15-17(29-9-22-15)6-14(10)23-18/h3-6,9,27H,2,7-8H2,1H3/t21-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit calf thymus topoisomerase I when assayed in the cleavable complex formation


Bioorg Med Chem Lett 5: 2129-2132 (1995)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50049304
PNG
(7-ethyl-7-hydroxy-14-(1H-1-imidazolylmethyl)-(7S)-...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(Cn4ccnc4)c3Cn1c2=O
Show InChI InChI=1S/C25H20N4O6/c1-2-25(32)17-6-19-22-15(9-29(19)23(30)16(17)10-33-24(25)31)14(8-28-4-3-26-11-28)13-5-20-21(35-12-34-20)7-18(13)27-22/h3-7,11,32H,2,8-10,12H2,1H3/t25-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Glaxo Wellcome Research Institute

Curated by ChEMBL


Assay Description
Average concentration of compound to cause 50% inhibition of topoisomerase-I


J Med Chem 39: 713-9 (1996)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50045369
PNG
((20S)-4-Ethyl-10-fluoro-4-hydroxy-1,12-dihydro-4H-...)
Show SMILES CCC1(O)C(=O)OCc2c1cc1-c3nc4cccc(F)c4cc3Cn1c2=O
Show InChI InChI=1S/C20H15FN2O4/c1-2-20(26)13-7-16-17-10(6-11-14(21)4-3-5-15(11)22-17)8-23(16)18(24)12(13)9-27-19(20)25/h3-7,26H,2,8-9H2,1H3
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n/an/a 160n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells


J Med Chem 36: 2689-700 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50034015
PNG
((S)-9-Aminomethyl-4,11-diethyl-4-hydroxy-1,12-dihy...)
Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cnc(CN)cc12
Show InChI InChI=1S/C22H22N4O4/c1-3-12-13-5-11(7-23)24-8-17(13)25-19-14(12)9-26-18(19)6-16-15(20(26)27)10-30-21(28)22(16,29)4-2/h5-6,8,29H,3-4,7,9-10,23H2,1-2H3/t22-/m0/s1
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n/an/a 167n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
In vitro fragmentation of DNA in the presence of excess calf thymus topoisomerase.


J Med Chem 38: 1106-18 (1995)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50285230
PNG
((S)-9-Amino-4-ethyl-4,8-dihydroxy-1,12-dihydro-4H-...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc(O)c(N)cc4cc3Cn1c2=O
Show InChI InChI=1S/C20H17N3O5/c1-2-20(27)12-5-15-17-10(3-9-4-13(21)16(24)6-14(9)22-17)7-23(15)18(25)11(12)8-28-19(20)26/h3-6,24,27H,2,7-8,21H2,1H3/t20-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit calf thymus topoisomerase I when assayed in the cleavable complex formation


Bioorg Med Chem Lett 5: 2129-2132 (1995)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50049292
PNG
(8-ethyl-8-hydroxy-15-pyrazin-1-ium-1-ylmethyl-(8S)...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCCOc5cc4c(C[n+]4ccncc4)c3Cn1c2=O
Show InChI InChI=1S/C27H23N4O6/c1-2-27(34)19-10-21-24-17(13-31(21)25(32)18(19)14-37-26(27)33)16(12-30-5-3-28-4-6-30)15-9-22-23(11-20(15)29-24)36-8-7-35-22/h3-6,9-11,34H,2,7-8,12-14H2,1H3/q+1/t27-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



Glaxo Wellcome Research Institute

Curated by ChEMBL


Assay Description
Average concentration of compound to cause 50% inhibition of topoisomerase-I isolated from calf thymus


J Med Chem 39: 713-9 (1996)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50045375
PNG
((20RS)-10-Chloro-4-ethyl-4-hydroxy-1,12-dihydro-4H...)
Show SMILES CCC1(O)C(=O)OCc2c1cc1-c3nc4cccc(Cl)c4cc3Cn1c2=O
Show InChI InChI=1S/C20H15ClN2O4/c1-2-20(26)13-7-16-17-10(6-11-14(21)4-3-5-15(11)22-17)8-23(16)18(24)12(13)9-27-19(20)25/h3-7,26H,2,8-9H2,1H3
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n/an/a 190n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells


J Med Chem 36: 2689-700 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50034020
PNG
((S)-9-Aminomethyl-4-ethyl-4-hydroxy-11-methyl-8-ox...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4c[n+]([O-])c(CN)cc4c(C)c3Cn1c2=O
Show InChI InChI=1S/C21H20N4O5/c1-3-21(28)15-5-17-18-13(7-24(17)19(26)14(15)9-30-20(21)27)10(2)12-4-11(6-22)25(29)8-16(12)23-18/h4-5,8,28H,3,6-7,9,22H2,1-2H3/t21-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
Minimum concentration that produced 50% fragmentation of DNA was measured in the presence of excess calf thymus topoisomerase.


J Med Chem 38: 1106-18 (1995)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50049296
PNG
(7-ethyl-7-hydroxy-14-pyridazin-1-ium-1-ylmethyl-(7...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(C[n+]4ccccn4)c3Cn1c2=O
Show InChI InChI=1S/C26H21N4O6/c1-2-26(33)18-8-20-23-16(11-30(20)24(31)17(18)12-34-25(26)32)15(10-29-6-4-3-5-27-29)14-7-21-22(36-13-35-21)9-19(14)28-23/h3-9,33H,2,10-13H2,1H3/q+1/t26-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Glaxo Wellcome Research Institute

Curated by ChEMBL


Assay Description
Average concentration of compound to cause 50% inhibition of topoisomerase-I


J Med Chem 39: 713-9 (1996)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50049294
PNG
(8-ethyl-8-hydroxy-15-(1-pyridiniumylmethyl)-(8S)-2...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCCOc5cc4c(C[n+]4ccccc4)c3Cn1c2=O
Show InChI InChI=1S/C28H24N3O6/c1-2-28(34)20-11-22-25-18(14-31(22)26(32)19(20)15-37-27(28)33)17(13-30-6-4-3-5-7-30)16-10-23-24(12-21(16)29-25)36-9-8-35-23/h3-7,10-12,34H,2,8-9,13-15H2,1H3/q+1/t28-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Glaxo Wellcome Research Institute

Curated by ChEMBL


Assay Description
Average concentration of compound to cause 50% inhibition of topoisomerase-I isolated from calf thymus


J Med Chem 39: 713-9 (1996)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50049298
PNG
(7-ethyl-7-hydroxy-14-(1H-imidazol-3-ium-3-ylmethyl...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCCOc5cc4c(Cn4ccnc4)c3Cn1c2=O
Show InChI InChI=1S/C26H22N4O6/c1-2-26(33)18-8-20-23-16(11-30(20)24(31)17(18)12-36-25(26)32)15(10-29-4-3-27-13-29)14-7-21-22(9-19(14)28-23)35-6-5-34-21/h3-4,7-9,13,33H,2,5-6,10-12H2,1H3/t26-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Glaxo Wellcome Research Institute

Curated by ChEMBL


Assay Description
Average concentration of compound to cause 50% inhibition of topoisomerase-I isolated from calf thymus


J Med Chem 39: 713-9 (1996)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50049297
PNG
(7-ethyl-7-hydroxy-14-(1-pyridiniumylmethyl)-(7S)-7...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(C[n+]4ccccc4)c3Cn1c2=O
Show InChI InChI=1S/C27H22N3O6/c1-2-27(33)19-9-21-24-17(12-30(21)25(31)18(19)13-34-26(27)32)16(11-29-6-4-3-5-7-29)15-8-22-23(36-14-35-22)10-20(15)28-24/h3-10,33H,2,11-14H2,1H3/q+1/t27-/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Glaxo Wellcome Research Institute

Curated by ChEMBL


Assay Description
Average concentration of compound to cause 50% inhibition of topoisomerase-I


J Med Chem 39: 713-9 (1996)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50034024
PNG
(((S)-4-Ethyl-4-hydroxy-11-methyl-3,13-dioxo-8-oxy-...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4c[n+]([O-])c(CNC(=O)OC(C)(C)C)cc4c(C)c3Cn1c2=O
Show InChI InChI=1S/C26H28N4O7/c1-6-26(34)18-8-20-21-16(10-29(20)22(31)17(18)12-36-23(26)32)13(2)15-7-14(30(35)11-19(15)28-21)9-27-24(33)37-25(3,4)5/h7-8,11,34H,6,9-10,12H2,1-5H3,(H,27,33)/t26-/m0/s1
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n/an/a 217n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
In vitro fragmentation of DNA in the presence of excess calf thymus topoisomerase.


J Med Chem 38: 1106-18 (1995)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50045379
PNG
((20RS)-7-ethyl-7-hydroxy-15-nitro-7,8,11,13-tetrah...)
Show SMILES CCC1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5c([N+]([O-])=O)c4cc3Cn1c2=O
Show InChI InChI=1S/C21H15N3O8/c1-2-21(27)12-4-14-16-9(6-23(14)19(25)11(12)7-30-20(21)26)3-10-13(22-16)5-15-18(32-8-31-15)17(10)24(28)29/h3-5,27H,2,6-8H2,1H3
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n/an/a 220n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells


J Med Chem 36: 2689-700 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50049299
PNG
(7-ethyl-7-hydroxy-14-(3-methyl-1H-imidazol-3-ium-1...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(Cn4cc[n+](C)c4)c3Cn1c2=O
Show InChI InChI=1S/C26H23N4O6/c1-3-26(33)18-7-20-23-16(10-30(20)24(31)17(18)11-34-25(26)32)15(9-29-5-4-28(2)12-29)14-6-21-22(36-13-35-21)8-19(14)27-23/h4-8,12,33H,3,9-11,13H2,1-2H3/q+1/t26-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



Glaxo Wellcome Research Institute

Curated by ChEMBL


Assay Description
Average concentration of compound to cause 50% inhibition of topoisomerase-I


J Med Chem 39: 713-9 (1996)

More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50034010
PNG
((S)-9-Aminomethyl-4-ethyl-4-hydroxy-11-methyl-1,12...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cnc(CN)cc4c(C)c3Cn1c2=O
Show InChI InChI=1S/C21H20N4O4/c1-3-21(28)15-5-17-18-13(8-25(17)19(26)14(15)9-29-20(21)27)10(2)12-4-11(6-22)23-7-16(12)24-18/h4-5,7,28H,3,6,8-9,22H2,1-2H3/t21-/m0/s1
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n/an/a 232n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
Minimum concentration that produced 50% fragmentation of DNA was measured in the presence of excess calf thymus topoisomerase.


J Med Chem 38: 1106-18 (1995)

More data for this
Ligand-Target Pair
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