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Compile Data Set for Download or QSAR

Found 187 hits of ec50 for UniProtKB: P11388   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA topoisomerase II


(Homo sapiens (Human))
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/an/an/a 30n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50213799
PNG
(CHEMBL440642)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc(Cc1c(O)cccc1O)c2=O)C1CC1
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n/an/an/an/a 96n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50213803
PNG
(CHEMBL428339)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc(Cc1c(O)cc(O)cc1O)c2=O)C1CC1
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n/an/an/an/a 98n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50213805
PNG
(CHEMBL7877)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc(Cc1ccc(O)cc1O)c2=O)C1CC1
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n/an/an/an/a 160n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50213812
PNG
(CHEMBL269139)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc(Cc1cc(O)ccc1O)c2=O)C1CC1
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n/an/an/an/a 160n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50214091
PNG
(CHEMBL27233)
Show SMILES CCN(CC)CCn1nc2c3c1ccc(CNC(=O)OC)c3sc1ccc(O)cc21
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n/an/an/an/a 330n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50213795
PNG
(CHEMBL268458)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc(Cc1ccccc1O)c2=O)C1CC1
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n/an/an/an/a 330n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50213794
PNG
(CHEMBL7690)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc(Cc1cccc(O)c1O)c2=O)C1CC1
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n/an/an/an/a 360n/an/an/an/a


TBA

Assay Description
Inhibition of Vascular endothelial growth factor receptor 2 (KDR)


Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50286492
PNG
(2-(4-Amino-cyclohexyl)-5-cyclopropyl-7-(2,6-dimeth...)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c3nn([C@@H]4CC[C@H](N)CC4)c(=O)c3cn(C3CC3)c2c1F |wU:16.16,19.20,(1.59,-7.35,;2.95,-8.14,;4.28,-7.37,;5.63,-8.14,;5.63,-9.68,;4.3,-10.45,;4.3,-11.99,;2.95,-9.68,;6.96,-7.37,;6.96,-5.83,;5.61,-5.06,;8.29,-5.06,;9.62,-5.83,;10.95,-5.06,;11.28,-3.55,;12.79,-3.39,;13.56,-2.05,;15.1,-2.05,;15.87,-.73,;15.1,.61,;15.87,1.94,;13.56,.61,;12.77,-.73,;13.45,-4.78,;14.94,-5.09,;12.28,-5.83,;12.28,-7.37,;10.95,-8.14,;10.95,-9.68,;10.18,-11.02,;11.72,-11.01,;9.62,-7.37,;8.29,-8.14,;8.29,-9.68,)|
Show InChI InChI=1S/C26H27F2N5O/c1-13-9-15(10-14(2)30-13)22-21(27)11-19-24-20(12-32(17-7-8-17)25(19)23(22)28)26(34)33(31-24)18-5-3-16(29)4-6-18/h9-12,16-18H,3-8,29H2,1-2H3/t16-,18+
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n/an/an/an/a 500n/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 405-410 (1995)


Article DOI: 10.1016/0960-894X(95)00044-T
BindingDB Entry DOI: 10.7270/Q2CZ37N7
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50213996
PNG
(CHEMBL30104)
Show SMILES CCN(CC)CCn1nc2c3c1ccc(CNS(C)(=O)=O)c3sc1ccc(O)cc21
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n/an/an/an/a 550n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM87351
PNG
(Amsacrine hydrochloride | CHEMBL43 | MLS002153376 ...)
Show SMILES COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12
Show InChI InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)
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n/an/an/an/a 720n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase II


(Homo sapiens (Human))
BDBM87351
PNG
(Amsacrine hydrochloride | CHEMBL43 | MLS002153376 ...)
Show SMILES COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12
Show InChI InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)
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n/an/an/an/a 720n/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 405-410 (1995)


Article DOI: 10.1016/0960-894X(95)00044-T
BindingDB Entry DOI: 10.7270/Q2CZ37N7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase II


(Homo sapiens (Human))
BDBM87351
PNG
(Amsacrine hydrochloride | CHEMBL43 | MLS002153376 ...)
Show SMILES COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12
Show InChI InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)
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n/an/an/an/a 720n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase II


(Homo sapiens (Human))
BDBM87351
PNG
(Amsacrine hydrochloride | CHEMBL43 | MLS002153376 ...)
Show SMILES COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12
Show InChI InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)
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n/an/an/an/a 720n/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL




J Med Chem 36: 2801-9 (1993)


Article DOI: 10.1021/jm00071a010
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase II


(Homo sapiens (Human))
BDBM87351
PNG
(Amsacrine hydrochloride | CHEMBL43 | MLS002153376 ...)
Show SMILES COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12
Show InChI InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)
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n/an/an/an/a 720n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase II


(Homo sapiens (Human))
BDBM87351
PNG
(Amsacrine hydrochloride | CHEMBL43 | MLS002153376 ...)
Show SMILES COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12
Show InChI InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)
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n/an/an/an/a 720n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50127140
PNG
((-)-etoposide | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-d...)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12 |r|
Show InChI InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1
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n/an/an/an/a 810n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50127140
PNG
((-)-etoposide | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-d...)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12 |r|
Show InChI InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1
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TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50127140
PNG
((-)-etoposide | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-d...)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12 |r|
Show InChI InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1
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n/an/an/an/a 810n/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL




J Med Chem 36: 2801-9 (1993)


Article DOI: 10.1021/jm00071a010
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50127140
PNG
((-)-etoposide | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-d...)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12 |r|
Show InChI InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1
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n/an/an/an/a 810n/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 405-410 (1995)


Article DOI: 10.1016/0960-894X(95)00044-T
BindingDB Entry DOI: 10.7270/Q2CZ37N7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50127140
PNG
((-)-etoposide | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-d...)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12 |r|
Show InChI InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1
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TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50286484
PNG
(2-Cyclohexyl-5-cyclopropyl-7-(2,6-dimethyl-pyridin...)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c3nn(C4CCCCC4)c(=O)c3cn(C3CC3)c2c1F
Show InChI InChI=1S/C26H26F2N4O/c1-14-10-16(11-15(2)29-14)22-21(27)12-19-24-20(13-31(17-8-9-17)25(19)23(22)28)26(33)32(30-24)18-6-4-3-5-7-18/h10-13,17-18H,3-9H2,1-2H3
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n/an/an/an/a 900n/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 405-410 (1995)


Article DOI: 10.1016/0960-894X(95)00044-T
BindingDB Entry DOI: 10.7270/Q2CZ37N7
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50212758
PNG
(CHEMBL133780)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc\c2=N/Nc1ccccn1)C1CC1
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n/an/an/an/a 980n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50213294
PNG
(CHEMBL8063)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc(Cc1ncc[nH]1)c2=O)C1CC1
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n/an/an/an/a 1.10E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50213813
PNG
(CHEMBL7960)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc(Cc1cccc(O)c1)c2=O)C1CC1
PDB

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n/an/an/an/a 1.10E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50213810
PNG
(CHEMBL7534)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc(Cc1ccc(O)cc1)c2=O)C1CC1
PDB

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n/an/an/an/a 1.20E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50231257
PNG
(CHEMBL96510)
Show SMILES OC(=O)c1cn(C2CC2)c2c(F)c(c(F)cc2c1=O)-c1ccc(O)cc1
PDB

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PubMed
n/an/an/an/a 1.20E+3n/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL




J Med Chem 36: 2801-9 (1993)


Article DOI: 10.1021/jm00071a010
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50212721
PNG
(CHEMBL129840)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc\c2=N\O)C1CC1
PDB

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n/an/an/an/a 1.40E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50213815
PNG
(CHEMBL267251)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc(Cc1c[nH]cn1)c2=O)C1CC1
PDB

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n/an/an/an/a 1.60E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50212858
PNG
(CHEMBL422791)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc\c2=N/c1ccccc1O)C1CC1
PDB

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TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50286501
PNG
(5-Cyclopropyl-2-(3-dimethylamino-propyl)-7-(2,6-di...)
Show SMILES CN(C)CCCn1nc2c(cn(C3CC3)c3c(F)c(c(F)cc23)-c2cc(C)nc(C)c2)c1=O
Show InChI InChI=1S/C25H27F2N5O/c1-14-10-16(11-15(2)28-14)21-20(26)12-18-23-19(13-31(17-6-7-17)24(18)22(21)27)25(33)32(29-23)9-5-8-30(3)4/h10-13,17H,5-9H2,1-4H3
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n/an/an/an/a 1.70E+3n/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 405-410 (1995)


Article DOI: 10.1016/0960-894X(95)00044-T
BindingDB Entry DOI: 10.7270/Q2CZ37N7
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50212726
PNG
(CHEMBL337666)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc\c2=N/N)C1CC1
PDB

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TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50286494
PNG
(5-Cyclopropyl-2-(4-dimethylamino-cyclohexyl)-7-(2,...)
Show SMILES CN(C)[C@H]1CC[C@H](CC1)n1nc2c(cn(C3CC3)c3c(F)c(c(F)cc23)-c2cc(C)nc(C)c2)c1=O |wU:6.9,3.2,(17.41,1.96,;15.87,1.96,;15.1,3.29,;15.1,.63,;15.87,-.71,;15.1,-2.03,;13.58,-2.03,;12.79,-.71,;13.56,.63,;12.81,-3.37,;11.29,-3.52,;10.97,-5.04,;12.3,-5.81,;12.3,-7.35,;10.97,-8.12,;10.97,-9.66,;10.2,-11,;11.74,-10.99,;9.64,-7.35,;8.31,-8.12,;8.31,-9.66,;6.96,-7.35,;6.96,-5.81,;5.62,-5.04,;8.31,-5.04,;9.64,-5.81,;5.63,-8.12,;4.29,-7.35,;2.96,-8.12,;1.61,-7.33,;2.96,-9.66,;4.3,-10.43,;4.32,-11.97,;5.63,-9.66,;13.45,-4.76,;14.96,-5.07,)|
Show InChI InChI=1S/C28H31F2N5O/c1-15-11-17(12-16(2)31-15)24-23(29)13-21-26-22(14-34(19-7-8-19)27(21)25(24)30)28(36)35(32-26)20-9-5-18(6-10-20)33(3)4/h11-14,18-20H,5-10H2,1-4H3/t18-,20+
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n/an/an/an/a 1.70E+3n/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 405-410 (1995)


Article DOI: 10.1016/0960-894X(95)00044-T
BindingDB Entry DOI: 10.7270/Q2CZ37N7
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50286485
PNG
(5-Cyclopropyl-7-(2,6-dimethyl-pyridin-4-yl)-6,8-di...)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c3nn(C4CCOCC4)c(=O)c3cn(C3CC3)c2c1F
Show InChI InChI=1S/C25H24F2N4O2/c1-13-9-15(10-14(2)28-13)21-20(26)11-18-23-19(12-30(16-3-4-16)24(18)22(21)27)25(32)31(29-23)17-5-7-33-8-6-17/h9-12,16-17H,3-8H2,1-2H3
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n/an/an/an/a 1.70E+3n/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 405-410 (1995)


Article DOI: 10.1016/0960-894X(95)00044-T
BindingDB Entry DOI: 10.7270/Q2CZ37N7
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50212604
PNG
(CHEMBL422265)
Show SMILES CN\N=c1/ccn(C2CC2)c2c(F)c(c(F)cc12)-c1cc(C)nc(C)c1
PDB

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n/an/an/an/a 1.90E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50213811
PNG
(CHEMBL7769)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc(Cc1ccccc1N)c2=O)C1CC1
PDB

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n/an/an/an/a 2.10E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50212796
PNG
(CHEMBL334608)
Show SMILES CN(C)\N=c1/ccn(C2CC2)c2c(F)c(c(F)cc12)-c1cc(C)nc(C)c1
PDB

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n/an/an/an/a 2.30E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50212458
PNG
(CHEMBL132656)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc\c2=N/C1CC1)C1CC1
PDB

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n/an/an/an/a 2.40E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50212464
PNG
(CHEMBL449700)
Show SMILES CO\N=c1\ccn(C2CC2)c2c(F)c(c(F)cc12)-c1cc(C)nc(C)c1
PDB

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n/an/an/an/a 2.60E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50286486
PNG
(5-Cyclopropyl-2-(2-dimethylamino-ethyl)-7-(2,6-dim...)
Show SMILES CN(C)CCn1nc2c(cn(C3CC3)c3c(F)c(c(F)cc23)-c2cc(C)nc(C)c2)c1=O
Show InChI InChI=1S/C24H25F2N5O/c1-13-9-15(10-14(2)27-13)20-19(25)11-17-22-18(24(32)31(28-22)8-7-29(3)4)12-30(16-5-6-16)23(17)21(20)26/h9-12,16H,5-8H2,1-4H3
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n/an/an/an/a 2.60E+3n/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 405-410 (1995)


Article DOI: 10.1016/0960-894X(95)00044-T
BindingDB Entry DOI: 10.7270/Q2CZ37N7
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50286474
PNG
(5-Cyclopropyl-7-(2,6-dimethyl-pyridin-4-yl)-6,8-di...)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c3nn(-c4ccccc4)c(=O)c3cn(C3CC3)c2c1F
Show InChI InChI=1S/C26H20F2N4O/c1-14-10-16(11-15(2)29-14)22-21(27)12-19-24-20(13-31(17-8-9-17)25(19)23(22)28)26(33)32(30-24)18-6-4-3-5-7-18/h3-7,10-13,17H,8-9H2,1-2H3
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TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50286474
PNG
(5-Cyclopropyl-7-(2,6-dimethyl-pyridin-4-yl)-6,8-di...)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c3nn(-c4ccccc4)c(=O)c3cn(C3CC3)c2c1F
Show InChI InChI=1S/C26H20F2N4O/c1-14-10-16(11-15(2)29-14)22-21(27)12-19-24-20(13-31(17-8-9-17)25(19)23(22)28)26(33)32(30-24)18-6-4-3-5-7-18/h3-7,10-13,17H,8-9H2,1-2H3
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n/an/an/an/a 2.70E+3n/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 405-410 (1995)


Article DOI: 10.1016/0960-894X(95)00044-T
BindingDB Entry DOI: 10.7270/Q2CZ37N7
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50214148
PNG
(CHEMBL283395)
Show SMILES CCN(CC)CCNc1ccc(CNS(C)(=O)=O)c2sc3ccccc3c(=O)c12
PDB

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n/an/an/an/a 3.00E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50212753
PNG
(CHEMBL262982)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc\c2=N/NC(N)=O)C1CC1
PDB

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n/an/an/an/a 3.10E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50286489
PNG
(5-Cyclopropyl-7-(2,6-dimethyl-pyridin-4-yl)-6,8-di...)
Show SMILES CC1CCC(CC1)n1nc2c(cn(C3CC3)c3c(F)c(c(F)cc23)-c2cc(C)nc(C)c2)c1=O |(16.12,-2.01,;15.35,-3.34,;13.81,-3.34,;13.03,-4.69,;13.82,-6,;15.35,-6,;16.12,-4.69,;13.05,-7.35,;11.53,-7.5,;11.21,-9.01,;12.54,-9.78,;12.54,-11.32,;11.21,-12.09,;11.21,-13.63,;10.44,-14.98,;11.98,-14.96,;9.88,-11.32,;8.55,-12.09,;8.55,-13.63,;7.21,-11.32,;7.21,-9.78,;5.86,-9.01,;8.55,-9.01,;9.88,-9.78,;5.88,-12.09,;5.88,-13.63,;4.55,-14.4,;4.56,-15.94,;3.2,-13.63,;3.2,-12.09,;1.85,-11.3,;4.53,-11.32,;13.7,-8.73,;15.2,-9.05,)|
Show InChI InChI=1S/C27H28F2N4O/c1-14-4-6-19(7-5-14)33-27(34)21-13-32(18-8-9-18)26-20(25(21)31-33)12-22(28)23(24(26)29)17-10-15(2)30-16(3)11-17/h10-14,18-19H,4-9H2,1-3H3
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n/an/an/an/a 3.10E+3n/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 405-410 (1995)


Article DOI: 10.1016/0960-894X(95)00044-T
BindingDB Entry DOI: 10.7270/Q2CZ37N7
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50286491
PNG
(5-Cyclopropyl-7-(2,6-dimethyl-pyridin-4-yl)-6,8-di...)
Show SMILES CN1CCC(CC1)n1nc2c(cn(C3CC3)c3c(F)c(c(F)cc23)-c2cc(C)nc(C)c2)c1=O
Show InChI InChI=1S/C26H27F2N5O/c1-14-10-16(11-15(2)29-14)22-21(27)12-19-24-20(13-32(17-4-5-17)25(19)23(22)28)26(34)33(30-24)18-6-8-31(3)9-7-18/h10-13,17-18H,4-9H2,1-3H3
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n/an/an/an/a 3.20E+3n/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 405-410 (1995)


Article DOI: 10.1016/0960-894X(95)00044-T
BindingDB Entry DOI: 10.7270/Q2CZ37N7
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50212722
PNG
(CHEMBL336767)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc\c2=N/NCCO)C1CC1
PDB

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n/an/an/an/a 3.20E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50286495
PNG
(5-Cyclopropyl-7-(2,6-dimethyl-pyridin-4-yl)-6,8-di...)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c3nn(CCNCCO)c(=O)c3cn(C3CC3)c2c1F
Show InChI InChI=1S/C24H25F2N5O2/c1-13-9-15(10-14(2)28-13)20-19(25)11-17-22-18(12-30(16-3-4-16)23(17)21(20)26)24(33)31(29-22)7-5-27-6-8-32/h9-12,16,27,32H,3-8H2,1-2H3
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n/an/an/an/a 3.30E+3n/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 405-410 (1995)


Article DOI: 10.1016/0960-894X(95)00044-T
BindingDB Entry DOI: 10.7270/Q2CZ37N7
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50213293
PNG
(CHEMBL7562)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc(Cc1ccccc1NS(C)(=O)=O)c2=O)C1CC1
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n/an/an/an/a 3.30E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50212723
PNG
(CHEMBL130706)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc\c2=N/c1ccccn1)C1CC1
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n/an/an/an/a 3.60E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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