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Compile Data Set for Download or QSAR

Found 63 hits Enz. Inhib. hit(s) with all data for entry = 50028691   
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
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50249674
PNG
(2,10-Dihydroxy-6-[(pyridin-4-ylmethyl)amino]-13-(b...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccncc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C32H27N5O10/c38-12-20-27(41)28(42)29(43)32(46-20)47-37-19-10-15(40)2-4-17(19)22-24-23(21-16-3-1-14(39)9-18(16)35-25(21)26(22)37)30(44)36(31(24)45)34-11-13-5-7-33-8-6-13/h1-10,20,27-29,32,34-35,38-43H,11-12H2/t20-,27-,28+,29-,32+/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50249679
PNG
(CHEMBL447069 | edotecarin)
Show SMILES OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21 |r|
Show InChI InChI=1S/C29H28N4O12/c34-7-10(8-35)31-32-27(42)20-18-13-3-1-11(37)5-15(13)30-22(18)23-19(21(20)28(32)43)14-4-2-12(38)6-16(14)33(23)45-29-26(41)25(40)24(39)17(9-36)44-29/h1-6,10,17,24-26,29-31,34-41H,7-9H2/t17-,24-,25+,26-,29+/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50249696
PNG
(2,10-Dihydroxy-6-({[3-(hydroxymethyl)pyridin-4-yl]...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccncc5CO)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C33H29N5O11/c39-11-14-9-34-6-5-13(14)10-35-37-31(46)24-22-17-3-1-15(41)7-19(17)36-26(22)27-23(25(24)32(37)47)18-4-2-16(42)8-20(18)38(27)49-33-30(45)29(44)28(43)21(12-40)48-33/h1-9,21,28-30,33,35-36,39-45H,10-12H2/t21-,28-,29+,30-,33+/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50249689
PNG
(2,10-Dihydroxy-6-({[6-(hydroxymethyl)pyridin-2-yl]...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cccc(CO)n5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C33H29N5O11/c39-11-14-3-1-2-13(35-14)10-34-37-31(46)24-22-17-6-4-15(41)8-19(17)36-26(22)27-23(25(24)32(37)47)18-7-5-16(42)9-20(18)38(27)49-33-30(45)29(44)28(43)21(12-40)48-33/h1-9,21,28-30,33-34,36,39-45H,10-12H2/t21-,28-,29+,30-,33+/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Mus musculus)		BDBM50249669
PNG
(6-[(2-Furylmethyl)amino]-2,10-dihydroxy-13-(beta-D...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccco5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C31H26N4O11/c36-11-19-26(39)27(40)28(41)31(45-19)46-35-18-9-13(38)4-6-16(18)21-23-22(29(42)34(30(23)43)32-10-14-2-1-7-44-14)20-15-5-3-12(37)8-17(15)33-24(20)25(21)35/h1-9,19,26-28,31-33,36-41H,10-11H2/t19-,26-,27+,28-,31+/m1/s1
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n/an/an/an/a 180n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Mus musculus)		BDBM50249675
PNG
(2,10-Dihydroxy-6-[(pyrazin-2-ylmethyl)amino]-13-(b...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cnccn5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C31H26N6O10/c38-11-19-26(41)27(42)28(43)31(46-19)47-37-18-8-14(40)2-4-16(18)21-23-22(20-15-3-1-13(39)7-17(15)35-24(20)25(21)37)29(44)36(30(23)45)34-10-12-9-32-5-6-33-12/h1-9,19,26-28,31,34-35,38-43H,10-11H2/t19-,26-,27+,28-,31+/m1/s1
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Mus musculus)		BDBM50249687
PNG
(2,10-Dihydroxy-6-{[3-(hydroxymethyl)benzyl]amino}-...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cccc(CO)c5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C34H30N4O11/c39-12-15-3-1-2-14(8-15)11-35-37-32(46)25-23-18-6-4-16(41)9-20(18)36-27(23)28-24(26(25)33(37)47)19-7-5-17(42)10-21(19)38(28)49-34-31(45)30(44)29(43)22(13-40)48-34/h1-10,22,29-31,34-36,39-45H,11-13H2/t22-,29-,30+,31-,34+/m1/s1
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n/an/an/an/a 220n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50249683
PNG
(2,10-Dihydroxy-6-[(4-cyanobenzyl)amino]-13-(beta-D...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccc(cc5)C#N)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C34H27N5O10/c35-11-14-1-3-15(4-2-14)12-36-38-32(46)25-23-18-7-5-16(41)9-20(18)37-27(23)28-24(26(25)33(38)47)19-8-6-17(42)10-21(19)39(28)49-34-31(45)30(44)29(43)22(13-40)48-34/h1-10,22,29-31,34,36-37,40-45H,12-13H2/t22-,29-,30+,31-,34+/m1/s1
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n/an/an/an/a 300n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1-mediated DNA cleavage assessed as relaxation of supercoiled pBR322 plasmid DNA after 15 mins by densitometer

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Mus musculus)		BDBM50249692
PNG
(2,10-Dihydroxy-6-({[3-(hydroxymethyl)pyridin-2-yl]...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ncccc5CO)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C33H29N5O11/c39-11-13-2-1-7-34-19(13)10-35-37-31(46)24-22-16-5-3-14(41)8-18(16)36-26(22)27-23(25(24)32(37)47)17-6-4-15(42)9-20(17)38(27)49-33-30(45)29(44)28(43)21(12-40)48-33/h1-9,21,28-30,33,35-36,39-45H,10-12H2/t21-,28-,29+,30-,33+/m1/s1
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n/an/an/an/a 400n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Mus musculus)		BDBM50249674
PNG
(2,10-Dihydroxy-6-[(pyridin-4-ylmethyl)amino]-13-(b...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccncc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C32H27N5O10/c38-12-20-27(41)28(42)29(43)32(46-20)47-37-19-10-15(40)2-4-17(19)22-24-23(21-16-3-1-14(39)9-18(16)35-25(21)26(22)37)30(44)36(31(24)45)34-11-13-5-7-33-8-6-13/h1-10,20,27-29,32,34-35,38-43H,11-12H2/t20-,27-,28+,29-,32+/m1/s1
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n/an/an/an/a 420n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Mus musculus)		BDBM50249670
PNG
(6-[(3-Furylmethyl)amino]-2,10-dihydroxy-13-(beta-D...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccoc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C31H26N4O11/c36-10-19-26(39)27(40)28(41)31(45-19)46-35-18-8-14(38)2-4-16(18)21-23-22(29(42)34(30(23)43)32-9-12-5-6-44-11-12)20-15-3-1-13(37)7-17(15)33-24(20)25(21)35/h1-8,11,19,26-28,31-33,36-41H,9-10H2/t19-,26-,27+,28-,31+/m1/s1
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n/an/an/an/a 470n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Mus musculus)		BDBM50249685
PNG
(2,10-Dihydroxy-6-{[4-(hydroxymethyl)benzyl]amino}-...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccc(CO)cc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C34H30N4O11/c39-12-15-3-1-14(2-4-15)11-35-37-32(46)25-23-18-7-5-16(41)9-20(18)36-27(23)28-24(26(25)33(37)47)19-8-6-17(42)10-21(19)38(28)49-34-31(45)30(44)29(43)22(13-40)48-34/h1-10,22,29-31,34-36,39-45H,11-13H2/t22-,29-,30+,31-,34+/m1/s1
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n/an/an/an/a 600n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50249680
PNG
(2,10-Dihydroxy-6-[(4-methylbenzyl)amino]-13-(beta-...)
Show SMILES Cc1ccc(CNN2C(=O)c3c(C2=O)c2c4ccc(O)cc4n(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c2c2[nH]c4cc(O)ccc4c32)cc1 |r|
Show InChI InChI=1S/C34H30N4O10/c1-14-2-4-15(5-3-14)12-35-37-32(45)25-23-18-8-6-16(40)10-20(18)36-27(23)28-24(26(25)33(37)46)19-9-7-17(41)11-21(19)38(28)48-34-31(44)30(43)29(42)22(13-39)47-34/h2-11,22,29-31,34-36,39-44H,12-13H2,1H3/t22-,29-,30+,31-,34+/m1/s1
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n/an/an/an/a 800n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1-mediated DNA cleavage assessed as relaxation of supercoiled pBR322 plasmid DNA after 15 mins by densitometer

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Mus musculus)		BDBM50249672
PNG
(2,10-Dihydroxy-6-[(pyridin-2-ylmethyl)amino]-13-(b...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccccn5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C32H27N5O10/c38-12-20-27(41)28(42)29(43)32(46-20)47-37-19-10-15(40)5-7-17(19)22-24-23(21-16-6-4-14(39)9-18(16)35-25(21)26(22)37)30(44)36(31(24)45)34-11-13-3-1-2-8-33-13/h1-10,20,27-29,32,34-35,38-43H,11-12H2/t20-,27-,28+,29-,32+/m1/s1
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n/an/an/an/a 800n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Mus musculus)		BDBM50249683
PNG
(2,10-Dihydroxy-6-[(4-cyanobenzyl)amino]-13-(beta-D...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccc(cc5)C#N)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C34H27N5O10/c35-11-14-1-3-15(4-2-14)12-36-38-32(46)25-23-18-7-5-16(41)9-20(18)37-27(23)28-24(26(25)33(38)47)19-8-6-17(42)10-21(19)39(28)49-34-31(45)30(44)29(43)22(13-40)48-34/h1-10,22,29-31,34,36-37,40-45H,12-13H2/t22-,29-,30+,31-,34+/m1/s1
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n/an/an/an/a 1.70E+3n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Mus musculus)		BDBM50249676
PNG
(2,10-Dihydroxy-6-[(quinolin-2-ylmethyl)amino]-13-(...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccc6ccccc6n5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C36H29N5O10/c42-14-24-31(45)32(46)33(47)36(50-24)51-41-23-12-18(44)8-10-20(23)26-28-27(25-19-9-7-17(43)11-22(19)39-29(25)30(26)41)34(48)40(35(28)49)37-13-16-6-5-15-3-1-2-4-21(15)38-16/h1-12,24,31-33,36-37,39,42-47H,13-14H2/t24-,31-,32+,33-,36+/m1/s1
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n/an/an/an/a 1.80E+3n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Mus musculus)		BDBM50249681
PNG
(2,10-Dihydroxy-6-[(4-nitrolbenzyl)amino]-13-(beta-...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccc(cc5)[N+]([O-])=O)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C33H27N5O12/c39-12-21-28(42)29(43)30(44)33(49-21)50-37-20-10-16(41)6-8-18(20)23-25-24(22-17-7-5-15(40)9-19(17)35-26(22)27(23)37)31(45)36(32(25)46)34-11-13-1-3-14(4-2-13)38(47)48/h1-10,21,28-30,33-35,39-44H,11-12H2/t21-,28-,29+,30-,33+/m1/s1
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n/an/an/an/a 6.00E+3n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Mus musculus)		BDBM50249671
PNG
(2,10-Dihydroxy-6-[(1H-pyrrol-2-ylmethyl)amino]-13-...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccc[nH]5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C31H27N5O10/c37-11-19-26(40)27(41)28(42)31(45-19)46-36-18-9-14(39)4-6-16(18)21-23-22(29(43)35(30(23)44)33-10-12-2-1-7-32-12)20-15-5-3-13(38)8-17(15)34-24(20)25(21)36/h1-9,19,26-28,31-34,37-42H,10-11H2/t19-,26-,27+,28-,31+/m1/s1
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n/an/an/an/a 6.50E+3n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Mus musculus)		BDBM50249678
PNG
(2,10-Dihydroxy-6-[(quinolin-4-ylmethyl)amino]-13-(...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccnc6ccccc56)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C36H29N5O10/c42-14-24-31(45)32(46)33(47)36(50-24)51-41-23-12-17(44)6-8-20(23)26-28-27(25-19-7-5-16(43)11-22(19)39-29(25)30(26)41)34(48)40(35(28)49)38-13-15-9-10-37-21-4-2-1-3-18(15)21/h1-12,24,31-33,36,38-39,42-47H,13-14H2/t24-,31-,32+,33-,36+/m1/s1
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n/an/an/an/a 1.00E+4n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Mus musculus)		BDBM50249682
PNG
(2,10-Dihydroxy-6-[(4-bromobenzyl)amino]-13-(beta-D...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccc(Br)cc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C33H27BrN4O10/c34-14-3-1-13(2-4-14)11-35-37-31(45)24-22-17-7-5-15(40)9-19(17)36-26(22)27-23(25(24)32(37)46)18-8-6-16(41)10-20(18)38(27)48-33-30(44)29(43)28(42)21(12-39)47-33/h1-10,21,28-30,33,35-36,39-44H,11-12H2/t21-,28-,29+,30-,33+/m1/s1
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n/an/an/an/a 1.00E+4n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Mus musculus)		BDBM50249693
PNG
(2,10-Dihydroxy-6-({[4-(hydroxymethyl)pyridin-3-yl]...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cnccc5CO)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C33H29N5O11/c39-11-13-5-6-34-9-14(13)10-35-37-31(46)24-22-17-3-1-15(41)7-19(17)36-26(22)27-23(25(24)32(37)47)18-4-2-16(42)8-20(18)38(27)49-33-30(45)29(44)28(43)21(12-40)48-33/h1-9,21,28-30,33,35-36,39-45H,10-12H2/t21-,28-,29+,30-,33+/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Mus musculus)		BDBM50249673
PNG
(2,10-Dihydroxy-6-[(pyridin-3-ylmethyl)amino]-13-(b...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cccnc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C32H27N5O10/c38-12-20-27(41)28(42)29(43)32(46-20)47-37-19-9-15(40)4-6-17(19)22-24-23(21-16-5-3-14(39)8-18(16)35-25(21)26(22)37)30(44)36(31(24)45)34-11-13-2-1-7-33-10-13/h1-10,20,27-29,32,34-35,38-43H,11-12H2/t20-,27-,28+,29-,32+/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Mus musculus)		BDBM50249677
PNG
(2,10-Dihydroxy-6-[(quinolin-3-ylmethyl)amino]-13-(...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cnc6ccccc6c5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C36H29N5O10/c42-14-24-31(45)32(46)33(47)36(50-24)51-41-23-11-18(44)6-8-20(23)26-28-27(25-19-7-5-17(43)10-22(19)39-29(25)30(26)41)34(48)40(35(28)49)38-13-15-9-16-3-1-2-4-21(16)37-12-15/h1-12,24,31-33,36,38-39,42-47H,13-14H2/t24-,31-,32+,33-,36+/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Mus musculus)		BDBM50249680
PNG
(2,10-Dihydroxy-6-[(4-methylbenzyl)amino]-13-(beta-...)
Show SMILES Cc1ccc(CNN2C(=O)c3c(C2=O)c2c4ccc(O)cc4n(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c2c2[nH]c4cc(O)ccc4c32)cc1 |r|
Show InChI InChI=1S/C34H30N4O10/c1-14-2-4-15(5-3-14)12-35-37-32(45)25-23-18-8-6-16(40)10-20(18)36-27(23)28-24(26(25)33(37)46)19-9-7-17(41)11-21(19)38(28)48-34-31(44)30(43)29(42)22(13-39)47-34/h2-11,22,29-31,34-36,39-44H,12-13H2,1H3/t22-,29-,30+,31-,34+/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Mus musculus)		BDBM50249697
PNG
(2,10-Dihydroxy-6-({[2-(hydroxymethyl)pyridin-4-yl]...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccnc(CO)c5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C33H29N5O11/c39-11-14-7-13(5-6-34-14)10-35-37-31(46)24-22-17-3-1-15(41)8-19(17)36-26(22)27-23(25(24)32(37)47)18-4-2-16(42)9-20(18)38(27)49-33-30(45)29(44)28(43)21(12-40)48-33/h1-9,21,28-30,33,35-36,39-45H,10-12H2/t21-,28-,29+,30-,33+/m1/s1
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n/an/an/an/a 100n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50249674
PNG
(2,10-Dihydroxy-6-[(pyridin-4-ylmethyl)amino]-13-(b...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccncc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C32H27N5O10/c38-12-20-27(41)28(42)29(43)32(46-20)47-37-19-10-15(40)2-4-17(19)22-24-23(21-16-3-1-14(39)9-18(16)35-25(21)26(22)37)30(44)36(31(24)45)34-11-13-5-7-33-8-6-13/h1-10,20,27-29,32,34-35,38-43H,11-12H2/t20-,27-,28+,29-,32+/m1/s1
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n/an/an/an/a 22n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1-mediated DNA cleavage assessed as relaxation of supercoiled pBR322 plasmid DNA after 15 mins by densitometer

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50249687
PNG
(2,10-Dihydroxy-6-{[3-(hydroxymethyl)benzyl]amino}-...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cccc(CO)c5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C34H30N4O11/c39-12-15-3-1-2-14(8-15)11-35-37-32(46)25-23-18-6-4-16(41)9-20(18)36-27(23)28-24(26(25)33(37)47)19-7-5-17(42)10-21(19)38(28)49-34-31(45)30(44)29(43)22(13-40)48-34/h1-10,22,29-31,34-36,39-45H,11-13H2/t22-,29-,30+,31-,34+/m1/s1
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n/an/an/an/a 22n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1-mediated DNA cleavage assessed as relaxation of supercoiled pBR322 plasmid DNA after 15 mins by densitometer

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50249691
PNG
(2,10-Dihydroxy-6-({[4-(hydroxymethyl)pyridin-2-yl]...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cc(CO)ccn5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C33H29N5O11/c39-11-13-5-6-34-14(7-13)10-35-37-31(46)24-22-17-3-1-15(41)8-19(17)36-26(22)27-23(25(24)32(37)47)18-4-2-16(42)9-20(18)38(27)49-33-30(45)29(44)28(43)21(12-40)48-33/h1-9,21,28-30,33,35-36,39-45H,10-12H2/t21-,28-,29+,30-,33+/m1/s1
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n/an/an/an/a 22n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1-mediated DNA cleavage assessed as relaxation of supercoiled pBR322 plasmid DNA after 15 mins by densitometer

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50249673
PNG
(2,10-Dihydroxy-6-[(pyridin-3-ylmethyl)amino]-13-(b...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cccnc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C32H27N5O10/c38-12-20-27(41)28(42)29(43)32(46-20)47-37-19-9-15(40)4-6-17(19)22-24-23(21-16-5-3-14(39)8-18(16)35-25(21)26(22)37)30(44)36(31(24)45)34-11-13-2-1-7-33-10-13/h1-10,20,27-29,32,34-35,38-43H,11-12H2/t20-,27-,28+,29-,32+/m1/s1
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n/an/an/an/a 23n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1-mediated DNA cleavage assessed as relaxation of supercoiled pBR322 plasmid DNA after 15 mins by densitometer

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Mus musculus)		BDBM50249686
PNG
(2,10-Dihydroxy-6-[(3-hydroxybenzyl)amino]-13-(beta...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cccc(O)c5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C33H28N4O11/c38-12-21-28(42)29(43)30(44)33(47-21)48-37-20-10-16(41)5-7-18(20)23-25-24(22-17-6-4-15(40)9-19(17)35-26(22)27(23)37)31(45)36(32(25)46)34-11-13-2-1-3-14(39)8-13/h1-10,21,28-30,33-35,38-44H,11-12H2/t21-,28-,29+,30-,33+/m1/s1
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n/an/an/an/a 23n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Mus musculus)		BDBM50249688
PNG
(2,10-Dihydroxy-6-{[2-(hydroxymethyl)benzyl]amino}-...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccccc5CO)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C34H30N4O11/c39-12-15-4-2-1-3-14(15)11-35-37-32(46)25-23-18-7-5-16(41)9-20(18)36-27(23)28-24(26(25)33(37)47)19-8-6-17(42)10-21(19)38(28)49-34-31(45)30(44)29(43)22(13-40)48-34/h1-10,22,29-31,34-36,39-45H,11-13H2/t22-,29-,30+,31-,34+/m1/s1
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n/an/an/an/a 24n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50249668
PNG
(6-(Benzylamino)-2,10-dihydroxy-13-(beta-D-glucopyr...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccccc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C33H28N4O10/c38-13-21-28(41)29(42)30(43)33(46-21)47-37-20-11-16(40)7-9-18(20)23-25-24(22-17-8-6-15(39)10-19(17)35-26(22)27(23)37)31(44)36(32(25)45)34-12-14-4-2-1-3-5-14/h1-11,21,28-30,33-35,38-43H,12-13H2/t21-,28-,29+,30-,33+/m1/s1
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n/an/an/an/a 25n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1-mediated DNA cleavage assessed as relaxation of supercoiled pBR322 plasmid DNA after 15 mins by densitometer

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50249693
PNG
(2,10-Dihydroxy-6-({[4-(hydroxymethyl)pyridin-3-yl]...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cnccc5CO)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C33H29N5O11/c39-11-13-5-6-34-9-14(13)10-35-37-31(46)24-22-17-3-1-15(41)7-19(17)36-26(22)27-23(25(24)32(37)47)18-4-2-16(42)8-20(18)38(27)49-33-30(45)29(44)28(43)21(12-40)48-33/h1-9,21,28-30,33,35-36,39-45H,10-12H2/t21-,28-,29+,30-,33+/m1/s1
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n/an/an/an/a 25n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1-mediated DNA cleavage assessed as relaxation of supercoiled pBR322 plasmid DNA after 15 mins by densitometer

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50249690
PNG
(2,10-Dihydroxy-6-({[5-(hydroxymethyl)pyridin-2-yl]...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccc(CO)cn5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C33H29N5O11/c39-11-13-1-2-14(34-9-13)10-35-37-31(46)24-22-17-5-3-15(41)7-19(17)36-26(22)27-23(25(24)32(37)47)18-6-4-16(42)8-20(18)38(27)49-33-30(45)29(44)28(43)21(12-40)48-33/h1-9,21,28-30,33,35-36,39-45H,10-12H2/t21-,28-,29+,30-,33+/m1/s1
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n/an/an/an/a 27n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1-mediated DNA cleavage assessed as relaxation of supercoiled pBR322 plasmid DNA after 15 mins by densitometer

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50249696
PNG
(2,10-Dihydroxy-6-({[3-(hydroxymethyl)pyridin-4-yl]...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccncc5CO)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C33H29N5O11/c39-11-14-9-34-6-5-13(14)10-35-37-31(46)24-22-17-3-1-15(41)7-19(17)36-26(22)27-23(25(24)32(37)47)18-4-2-16(42)8-20(18)38(27)49-33-30(45)29(44)28(43)21(12-40)48-33/h1-9,21,28-30,33,35-36,39-45H,10-12H2/t21-,28-,29+,30-,33+/m1/s1
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n/an/an/an/a 29n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1-mediated DNA cleavage assessed as relaxation of supercoiled pBR322 plasmid DNA after 15 mins by densitometer

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50249670
PNG
(6-[(3-Furylmethyl)amino]-2,10-dihydroxy-13-(beta-D...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccoc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C31H26N4O11/c36-10-19-26(39)27(40)28(41)31(45-19)46-35-18-8-14(38)2-4-16(18)21-23-22(29(42)34(30(23)43)32-9-12-5-6-44-11-12)20-15-3-1-13(37)7-17(15)33-24(20)25(21)35/h1-8,11,19,26-28,31-33,36-41H,9-10H2/t19-,26-,27+,28-,31+/m1/s1
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n/an/an/an/a 30n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1-mediated DNA cleavage assessed as relaxation of supercoiled pBR322 plasmid DNA after 15 mins by densitometer

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50249671
PNG
(2,10-Dihydroxy-6-[(1H-pyrrol-2-ylmethyl)amino]-13-...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccc[nH]5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C31H27N5O10/c37-11-19-26(40)27(41)28(42)31(45-19)46-36-18-9-14(39)4-6-16(18)21-23-22(29(43)35(30(23)44)33-10-12-2-1-7-32-12)20-15-5-3-13(38)8-17(15)34-24(20)25(21)36/h1-9,19,26-28,31-34,37-42H,10-11H2/t19-,26-,27+,28-,31+/m1/s1
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n/an/an/an/a 30n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1-mediated DNA cleavage assessed as relaxation of supercoiled pBR322 plasmid DNA after 15 mins by densitometer

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50249672
PNG
(2,10-Dihydroxy-6-[(pyridin-2-ylmethyl)amino]-13-(b...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccccn5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C32H27N5O10/c38-12-20-27(41)28(42)29(43)32(46-20)47-37-19-10-15(40)5-7-17(19)22-24-23(21-16-6-4-14(39)9-18(16)35-25(21)26(22)37)30(44)36(31(24)45)34-11-13-3-1-2-8-33-13/h1-10,20,27-29,32,34-35,38-43H,11-12H2/t20-,27-,28+,29-,32+/m1/s1
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n/an/an/an/a 30n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1-mediated DNA cleavage assessed as relaxation of supercoiled pBR322 plasmid DNA after 15 mins by densitometer

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50249677
PNG
(2,10-Dihydroxy-6-[(quinolin-3-ylmethyl)amino]-13-(...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cnc6ccccc6c5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C36H29N5O10/c42-14-24-31(45)32(46)33(47)36(50-24)51-41-23-11-18(44)6-8-20(23)26-28-27(25-19-7-5-17(43)10-22(19)39-29(25)30(26)41)34(48)40(35(28)49)38-13-15-9-16-3-1-2-4-21(16)37-12-15/h1-12,24,31-33,36,38-39,42-47H,13-14H2/t24-,31-,32+,33-,36+/m1/s1
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n/an/an/an/a 30n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1-mediated DNA cleavage assessed as relaxation of supercoiled pBR322 plasmid DNA after 15 mins by densitometer

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50249695
PNG
(2,10-Dihydroxy-6-({[6-(hydroxymethyl)pyridin-3-yl]...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccc(CO)nc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C33H29N5O11/c39-11-14-2-1-13(9-34-14)10-35-37-31(46)24-22-17-5-3-15(41)7-19(17)36-26(22)27-23(25(24)32(37)47)18-6-4-16(42)8-20(18)38(27)49-33-30(45)29(44)28(43)21(12-40)48-33/h1-9,21,28-30,33,35-36,39-45H,10-12H2/t21-,28-,29+,30-,33+/m1/s1
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n/an/an/an/a 30n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1-mediated DNA cleavage assessed as relaxation of supercoiled pBR322 plasmid DNA after 15 mins by densitometer

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50249697
PNG
(2,10-Dihydroxy-6-({[2-(hydroxymethyl)pyridin-4-yl]...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccnc(CO)c5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C33H29N5O11/c39-11-14-7-13(5-6-34-14)10-35-37-31(46)24-22-17-3-1-15(41)8-19(17)36-26(22)27-23(25(24)32(37)47)18-4-2-16(42)9-20(18)38(27)49-33-30(45)29(44)28(43)21(12-40)48-33/h1-9,21,28-30,33,35-36,39-45H,10-12H2/t21-,28-,29+,30-,33+/m1/s1
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n/an/an/an/a 31n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1-mediated DNA cleavage assessed as relaxation of supercoiled pBR322 plasmid DNA after 15 mins by densitometer

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50249685
PNG
(2,10-Dihydroxy-6-{[4-(hydroxymethyl)benzyl]amino}-...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccc(CO)cc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C34H30N4O11/c39-12-15-3-1-14(2-4-15)11-35-37-32(46)25-23-18-7-5-16(41)9-20(18)36-27(23)28-24(26(25)33(37)47)19-8-6-17(42)10-21(19)38(28)49-34-31(45)30(44)29(43)22(13-40)48-34/h1-10,22,29-31,34-36,39-45H,11-13H2/t22-,29-,30+,31-,34+/m1/s1
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n/an/an/an/a 34n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1-mediated DNA cleavage assessed as relaxation of supercoiled pBR322 plasmid DNA after 15 mins by densitometer

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50249675
PNG
(2,10-Dihydroxy-6-[(pyrazin-2-ylmethyl)amino]-13-(b...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cnccn5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C31H26N6O10/c38-11-19-26(41)27(42)28(43)31(46-19)47-37-18-8-14(40)2-4-16(18)21-23-22(20-15-3-1-13(39)7-17(15)35-24(20)25(21)37)29(44)36(30(23)45)34-10-12-9-32-5-6-33-12/h1-9,19,26-28,31,34-35,38-43H,10-11H2/t19-,26-,27+,28-,31+/m1/s1
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n/an/an/an/a 35n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1-mediated DNA cleavage assessed as relaxation of supercoiled pBR322 plasmid DNA after 15 mins by densitometer

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50249694
PNG
(2,10-Dihydroxy-6-({[5-(hydroxymethyl)pyridin-3-yl]...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cncc(CO)c5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C33H29N5O11/c39-11-14-5-13(8-34-9-14)10-35-37-31(46)24-22-17-3-1-15(41)6-19(17)36-26(22)27-23(25(24)32(37)47)18-4-2-16(42)7-20(18)38(27)49-33-30(45)29(44)28(43)21(12-40)48-33/h1-9,21,28-30,33,35-36,39-45H,10-12H2/t21-,28-,29+,30-,33+/m1/s1
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n/an/an/an/a 35n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1-mediated DNA cleavage assessed as relaxation of supercoiled pBR322 plasmid DNA after 15 mins by densitometer

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50249669
PNG
(6-[(2-Furylmethyl)amino]-2,10-dihydroxy-13-(beta-D...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccco5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C31H26N4O11/c36-11-19-26(39)27(40)28(41)31(45-19)46-35-18-9-13(38)4-6-16(18)21-23-22(29(42)34(30(23)43)32-10-14-2-1-7-44-14)20-15-5-3-12(37)8-17(15)33-24(20)25(21)35/h1-9,19,26-28,31-33,36-41H,10-11H2/t19-,26-,27+,28-,31+/m1/s1
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n/an/an/an/a 38n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1-mediated DNA cleavage assessed as relaxation of supercoiled pBR322 plasmid DNA after 15 mins by densitometer

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Mus musculus)		BDBM50249689
PNG
(2,10-Dihydroxy-6-({[6-(hydroxymethyl)pyridin-2-yl]...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cccc(CO)n5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C33H29N5O11/c39-11-14-3-1-2-13(35-14)10-34-37-31(46)24-22-17-6-4-15(41)8-19(17)36-26(22)27-23(25(24)32(37)47)18-7-5-16(42)9-20(18)38(27)49-33-30(45)29(44)28(43)21(12-40)48-33/h1-9,21,28-30,33-34,36,39-45H,10-12H2/t21-,28-,29+,30-,33+/m1/s1
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n/an/an/an/a 73n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Mus musculus)		BDBM50249668
PNG
(6-(Benzylamino)-2,10-dihydroxy-13-(beta-D-glucopyr...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5ccccc5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C33H28N4O10/c38-13-21-28(41)29(42)30(43)33(46-21)47-37-20-11-16(40)7-9-18(20)23-25-24(22-17-8-6-15(39)10-19(17)35-26(22)27(23)37)31(44)36(32(25)45)34-12-14-4-2-1-3-5-14/h1-11,21,28-30,33-35,38-43H,12-13H2/t21-,28-,29+,30-,33+/m1/s1
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n/an/an/an/a 80n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Mus musculus)		BDBM50249694
PNG
(2,10-Dihydroxy-6-({[5-(hydroxymethyl)pyridin-3-yl]...)
Show SMILES OC[C@H]1O[C@@H](On2c3cc(O)ccc3c3c4C(=O)N(NCc5cncc(CO)c5)C(=O)c4c4c5ccc(O)cc5[nH]c4c23)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C33H29N5O11/c39-11-14-5-13(8-34-9-14)10-35-37-31(46)24-22-17-3-1-15(41)6-19(17)36-26(22)27-23(25(24)32(37)47)18-4-2-16(42)7-20(18)38(27)49-33-30(45)29(44)28(43)21(12-40)48-33/h1-9,21,28-30,33,35-36,39-45H,10-12H2/t21-,28-,29+,30-,33+/m1/s1
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n/an/an/an/a 90n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50249679
PNG
(CHEMBL447069 | edotecarin)
Show SMILES OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21 |r|
Show InChI InChI=1S/C29H28N4O12/c34-7-10(8-35)31-32-27(42)20-18-13-3-1-11(37)5-15(13)30-22(18)23-19(21(20)28(32)43)14-4-2-12(38)6-16(14)33(23)45-29-26(41)25(40)24(39)17(9-36)44-29/h1-6,10,17,24-26,29-31,34-41H,7-9H2/t17-,24-,25+,26-,29+/m1/s1
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antibodypedia
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n/an/an/an/a 100n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 1-mediated DNA cleavage assessed as relaxation of supercoiled pBR322 plasmid DNA after 15 mins by densitometer

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Mus musculus)		BDBM50249679
PNG
(CHEMBL447069 | edotecarin)
Show SMILES OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21 |r|
Show InChI InChI=1S/C29H28N4O12/c34-7-10(8-35)31-32-27(42)20-18-13-3-1-11(37)5-15(13)30-22(18)23-19(21(20)28(32)43)14-4-2-12(38)6-16(14)33(23)45-29-26(41)25(40)24(39)17(9-36)44-29/h1-6,10,17,24-26,29-31,34-41H,7-9H2/t17-,24-,25+,26-,29+/m1/s1
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n/an/an/an/a 1.5n/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by protinase K/SDS method

J Med Chem 52: 3225-37 (2009)


Article DOI: 10.1021/jm801641t
BindingDB Entry DOI: 10.7270/Q23F4PJ0
More data for this
Ligand-Target Pair
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