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PubMed code 8410993

Compile data set for download or QSAR
Found 24 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50231253
PNG
(CHEMBL328719)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc(C(O)=O)c2=O)-c1ccc(F)cc1
Show InChI InChI=1S/C23H15F3N2O3/c1-11-7-13(8-12(2)27-11)19-18(25)9-16-21(20(19)26)28(10-17(22(16)29)23(30)31)15-5-3-14(24)4-6-15/h3-10H,1-2H3,(H,30,31)
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n/an/an/an/a>4.30E+5n/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Tested for inhibition of topoisomerase II isolated from HeLa cells by DNA-cleavage assay


J Med Chem 36: 2801-9 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50231264
PNG
(CHEMBL97087)
Show SMILES Cc1cc(ccn1)-c1c(F)cc2c(c1F)n(cc(C(O)=O)c2=O)C1CC1
Show InChI InChI=1S/C19H14F2N2O3/c1-9-6-10(4-5-22-9)15-14(20)7-12-17(16(15)21)23(11-2-3-11)8-13(18(12)24)19(25)26/h4-8,11H,2-3H2,1H3,(H,25,26)
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n/an/an/an/a 1.60E+4n/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Tested for inhibition of topoisomerase II isolated from HeLa cells by DNA-cleavage assay


J Med Chem 36: 2801-9 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50231263
PNG
(CHEMBL15464 | CI-938)
Show SMILES NC1CCN(C1)c1c(F)cc2c(c1F)n(cc(C(O)=O)c2=O)C1CC1
Show InChI InChI=1S/C17H17F2N3O3/c18-12-5-10-14(13(19)15(12)21-4-3-8(20)6-21)22(9-1-2-9)7-11(16(10)23)17(24)25/h5,7-9H,1-4,6,20H2,(H,24,25)
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n/an/an/an/a 3.40E+5n/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Tested for inhibition of topoisomerase II isolated from HeLa cells by DNA-cleavage assay


J Med Chem 36: 2801-9 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50231285
PNG
(CHEMBL544553)
Show SMILES Cl.Cc1cc(cc(C)n1)-c1c(F)cc2c(scc(C(O)=O)c2=O)c1F
Show InChI InChI=1S/C17H11F2NO3S.ClH/c1-7-3-9(4-8(2)20-7)13-12(18)5-10-15(21)11(17(22)23)6-24-16(10)14(13)19;/h3-6H,1-2H3,(H,22,23);1H
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n/an/an/an/a>1.40E+5n/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Tested for inhibition of topoisomerase II isolated from HeLa cells by DNA-cleavage assay


J Med Chem 36: 2801-9 (1993)

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



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Tested for inhibition of topoisomerase II isolated from HeLa cells by DNA-cleavage assay


J Med Chem 36: 2801-9 (1993)

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


(Homo sapiens (Human))
BDBM50231262
PNG
(CHEMBL96509)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)c(Sc2ccccc2)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1
Show InChI InChI=1S/C26H20F2N2O3S/c1-13-10-15(11-14(2)29-13)19-21(27)23-20(25(22(19)28)34-17-6-4-3-5-7-17)24(31)18(26(32)33)12-30(23)16-8-9-16/h3-7,10-12,16H,8-9H2,1-2H3,(H,32,33)
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n/an/an/an/a>4.20E+5n/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Tested for inhibition of topoisomerase II isolated from HeLa cells by DNA-cleavage assay


J Med Chem 36: 2801-9 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50231249
PNG
(CHEMBL47255)
Show SMILES CN1CCN(CC1)c1c(F)cc2c(c1F)n(cc(C(O)=O)c2=O)C1CC1
Show InChI InChI=1S/C18H19F2N3O3/c1-21-4-6-22(7-5-21)16-13(19)8-11-15(14(16)20)23(10-2-3-10)9-12(17(11)24)18(25)26/h8-10H,2-7H2,1H3,(H,25,26)
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n/an/an/an/a 1.50E+5n/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Tested for inhibition of topoisomerase II isolated from HeLa cells by DNA-cleavage assay


J Med Chem 36: 2801-9 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50045706
PNG
(1-Cyclopropyl-7-(2,6-dimethyl-pyridin-4-yl)-6,8-di...)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(ccc2=O)C1CC1
Show InChI InChI=1S/C19H16F2N2O/c1-10-7-12(8-11(2)22-10)17-15(20)9-14-16(24)5-6-23(13-3-4-13)19(14)18(17)21/h5-9,13H,3-4H2,1-2H3
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n/an/an/an/a 1.70E+4n/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Tested for inhibition of topoisomerase II isolated from HeLa cells by DNA-cleavage assay


J Med Chem 36: 2801-9 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50231255
PNG
(CHEMBL327663)
Show SMILES OC(=O)c1cn(C2CC2)c2c(F)c(c(F)cc2c1=O)-c1cccnc1
Show InChI InChI=1S/C18H12F2N2O3/c19-13-6-11-16(15(20)14(13)9-2-1-5-21-7-9)22(10-3-4-10)8-12(17(11)23)18(24)25/h1-2,5-8,10H,3-4H2,(H,24,25)
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n/an/an/an/a 5.20E+4n/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Tested for inhibition of topoisomerase II isolated from HeLa cells by DNA-cleavage assay


J Med Chem 36: 2801-9 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50231256
PNG
(CHEMBL94321)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(O)c(cnc2c1F)C(O)=O
Show InChI InChI=1S/C17H12F2N2O3/c1-7-3-9(4-8(2)21-7)13-12(18)5-10-15(14(13)19)20-6-11(16(10)22)17(23)24/h3-6H,1-2H3,(H,20,22)(H,23,24)
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n/an/an/an/a>3.00E+5n/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Tested for inhibition of topoisomerase II isolated from HeLa cells by DNA-cleavage assay


J Med Chem 36: 2801-9 (1993)

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
Show InChI InChI=1S/C19H13F2NO4/c20-14-7-12-17(16(21)15(14)9-1-5-11(23)6-2-9)22(10-3-4-10)8-13(18(12)24)19(25)26/h1-2,5-8,10,23H,3-4H2,(H,25,26)
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n/an/an/an/a 1.20E+3n/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Tested for inhibition of topoisomerase II isolated from HeLa cells by DNA-cleavage assay


J Med Chem 36: 2801-9 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50231261
PNG
(CHEMBL94671)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(-c3cc(C)nc(C)c3)c(F)c12
Show InChI InChI=1S/C19H16F2N2O3/c1-4-23-8-13(19(25)26)18(24)12-7-14(20)15(16(21)17(12)23)11-5-9(2)22-10(3)6-11/h5-8H,4H2,1-3H3,(H,25,26)
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n/an/an/an/a 1.10E+5n/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Tested for inhibition of topoisomerase II isolated from HeLa cells by DNA-cleavage assay


J Med Chem 36: 2801-9 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50231288
PNG
(CHEMBL329385)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)c(N)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1
Show InChI InChI=1S/C20H17F2N3O3/c1-8-5-10(6-9(2)24-8)13-15(21)17(23)14-18(16(13)22)25(11-3-4-11)7-12(19(14)26)20(27)28/h5-7,11H,3-4,23H2,1-2H3,(H,27,28)
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n/an/an/an/a 6.20E+3n/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Tested for inhibition of topoisomerase II isolated from HeLa cells by DNA-cleavage assay


J Med Chem 36: 2801-9 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50231248
PNG
(CHEMBL97638)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(C1CC1)c(cc2=O)-c1ccccc1
Show InChI InChI=1S/C25H20F2N2O/c1-14-10-17(11-15(2)28-14)23-20(26)12-19-22(30)13-21(16-6-4-3-5-7-16)29(18-8-9-18)25(19)24(23)27/h3-7,10-13,18H,8-9H2,1-2H3
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n/an/an/an/a>2.40E+5n/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Tested for inhibition of topoisomerase II isolated from HeLa cells by DNA-cleavage assay


J Med Chem 36: 2801-9 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50231251
PNG
(CHEMBL319939)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(CCF)cc(C(O)=O)c2=O
Show InChI InChI=1S/C19H15F3N2O3/c1-9-5-11(6-10(2)23-9)15-14(21)7-12-17(16(15)22)24(4-3-20)8-13(18(12)25)19(26)27/h5-8H,3-4H2,1-2H3,(H,26,27)
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n/an/an/an/a>5.30E+5n/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Tested for inhibition of topoisomerase II isolated from HeLa cells by DNA-cleavage assay


J Med Chem 36: 2801-9 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50231252
PNG
(CHEMBL419703)
Show SMILES [Na+].Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc(C([O-])=O)c2=O)C(C)(C)C
Show InChI InChI=1S/C21H20F2N2O3.Na/c1-10-6-12(7-11(2)24-10)16-15(22)8-13-18(17(16)23)25(21(3,4)5)9-14(19(13)26)20(27)28;/h6-9H,1-5H3,(H,27,28);/q;+1/p-1
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n/an/an/an/a 7.40E+4n/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Tested for inhibition of topoisomerase II isolated from HeLa cells by DNA-cleavage assay


J Med Chem 36: 2801-9 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50045698
PNG
(1-Cyclopropyl-7-(2,6-dimethyl-pyridin-4-yl)-6,8-di...)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(cc(C(O)=O)c2=O)C1CC1
Show InChI InChI=1S/C20H16F2N2O3/c1-9-5-11(6-10(2)23-9)16-15(21)7-13-18(17(16)22)24(12-3-4-12)8-14(19(13)25)20(26)27/h5-8,12H,3-4H2,1-2H3,(H,26,27)
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n/an/an/an/a 7.60E+3n/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Tested for inhibition of topoisomerase II isolated from HeLa cells by DNA-cleavage assay


J Med Chem 36: 2801-9 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50231250
PNG
(CHEMBL319529)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(C1CC1)c(-c1ccccc1)c(C(O)=O)c2=O
Show InChI InChI=1S/C26H20F2N2O3/c1-13-10-16(11-14(2)29-13)20-19(27)12-18-24(22(20)28)30(17-8-9-17)23(15-6-4-3-5-7-15)21(25(18)31)26(32)33/h3-7,10-12,17H,8-9H2,1-2H3,(H,32,33)
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n/an/an/an/a>2.20E+5n/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Tested for inhibition of topoisomerase II isolated from HeLa cells by DNA-cleavage assay


J Med Chem 36: 2801-9 (1993)

More data for this
Ligand-Target Pair
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
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


Assay Description
Tested for inhibition of topoisomerase II isolated from HeLa cells by DNA-cleavage assay


J Med Chem 36: 2801-9 (1993)

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


(Homo sapiens (Human))
BDBM50231287
PNG
(CHEMBL94506)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(C1CC1)c(C)cc2=O
Show InChI InChI=1S/C20H18F2N2O/c1-10-6-13(7-11(2)23-10)18-16(21)9-15-17(25)8-12(3)24(14-4-5-14)20(15)19(18)22/h6-9,14H,4-5H2,1-3H3
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n/an/an/an/a 1.60E+4n/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Tested for inhibition of topoisomerase II isolated from HeLa cells by DNA-cleavage assay


J Med Chem 36: 2801-9 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50231258
PNG
(CHEMBL441631)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)c(F)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1
Show InChI InChI=1S/C20H15F3N2O3/c1-8-5-10(6-9(2)24-8)13-15(21)16(22)14-18(17(13)23)25(11-3-4-11)7-12(19(14)26)20(27)28/h5-7,11H,3-4H2,1-2H3,(H,27,28)
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n/an/an/an/a 1.30E+4n/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Tested for inhibition of topoisomerase II isolated from HeLa cells by DNA-cleavage assay


J Med Chem 36: 2801-9 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50231259
PNG
(CHEMBL97315)
Show SMILES Cc1ccc(c(C)n1)-c1c(F)cc2c(c1F)n(cc(C(O)=O)c2=O)C1CC1
Show InChI InChI=1S/C20H16F2N2O3/c1-9-3-6-12(10(2)23-9)16-15(21)7-13-18(17(16)22)24(11-4-5-11)8-14(19(13)25)20(26)27/h3,6-8,11H,4-5H2,1-2H3,(H,26,27)
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n/an/an/an/a 5.30E+4n/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Tested for inhibition of topoisomerase II isolated from HeLa cells by DNA-cleavage assay


J Med Chem 36: 2801-9 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50231260
PNG
(CHEMBL96705)
Show SMILES Cc1cc(cc(C)n1)-c1c(F)cc2c(c1F)n(C1CC1)c(C)c(C(O)=O)c2=O
Show InChI InChI=1S/C21H18F2N2O3/c1-9-6-12(7-10(2)24-9)17-15(22)8-14-19(18(17)23)25(13-4-5-13)11(3)16(20(14)26)21(27)28/h6-8,13H,4-5H2,1-3H3,(H,27,28)
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PubMed
n/an/an/an/a>2.60E+5n/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Tested for inhibition of topoisomerase II isolated from HeLa cells by DNA-cleavage assay


J Med Chem 36: 2801-9 (1993)

More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50231254
PNG
(CHEMBL433389)
Show SMILES OC(=O)c1cn(C2CC2)c2c(F)c(c(F)cc2c1=O)-c1ccncc1
Show InChI InChI=1S/C18H12F2N2O3/c19-13-7-11-16(15(20)14(13)9-3-5-21-6-4-9)22(10-1-2-10)8-12(17(11)23)18(24)25/h3-8,10H,1-2H2,(H,24,25)
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UniProtKB/SwissProt

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PC sid
UniChem

Similars

PubMed
n/an/an/an/a 1.70E+4n/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Tested for inhibition of topoisomerase II isolated from HeLa cells by DNA-cleavage assay


J Med Chem 36: 2801-9 (1993)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%