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Compile Data Set for Download or QSAR

Found 20 hits of ic50 for UniProtKB: P20083   
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 4 subunit B


(Escherichia coli (strain K12))
BDBM50470392
PNG
(CHEMBL4283208)
Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C2CC2)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C28H31N9O3S/c1-3-29-27(38)33-23-9-20(26-32-22(14-41-26)15-4-5-15)21(11-30-23)19-8-16(25-34-35-28(39)40-25)10-31-24(19)37-17-6-7-18(37)13-36(2)12-17/h8-11,14-15,17-18H,3-7,12-13H2,1-2H3,(H,35,39)(H2,29,30,33,38)
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n/an/a 3n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ParE


Eur J Med Chem 157: 610-621 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.025
BindingDB Entry DOI: 10.7270/Q28P637N
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit B


(Escherichia coli (strain K12))
BDBM50470403
PNG
(CHEMBL4294467)
Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C26H26F3N9O3S/c1-3-30-24(39)34-20-7-17(23-33-19(12-42-23)26(27,28)29)18(9-31-20)16-6-13(22-35-36-25(40)41-22)8-32-21(16)38-14-4-5-15(38)11-37(2)10-14/h6-9,12,14-15H,3-5,10-11H2,1-2H3,(H,36,40)(H2,30,31,34,39)
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n/an/a 4n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ParE


Eur J Med Chem 157: 610-621 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.025
BindingDB Entry DOI: 10.7270/Q28P637N
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit B


(Escherichia coli (strain K12))
BDBM50470400
PNG
(CHEMBL4289998)
Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1nnn[nH]1
Show InChI InChI=1S/C25H26F3N11OS/c1-3-29-24(40)33-20-7-17(23-32-19(12-41-23)25(26,27)28)18(9-30-20)16-6-13(21-34-36-37-35-21)8-31-22(16)39-14-4-5-15(39)11-38(2)10-14/h6-9,12,14-15H,3-5,10-11H2,1-2H3,(H2,29,30,33,40)(H,34,35,36,37)
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n/an/a 4n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ParE


Eur J Med Chem 157: 610-621 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.025
BindingDB Entry DOI: 10.7270/Q28P637N
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit B


(Escherichia coli (strain K12))
BDBM50470394
PNG
(CHEMBL4281775)
Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)C(O)=O
Show InChI InChI=1S/C25H26F3N7O3S/c1-3-29-24(38)33-20-7-17(22-32-19(12-39-22)25(26,27)28)18(9-30-20)16-6-13(23(36)37)8-31-21(16)35-14-4-5-15(35)11-34(2)10-14/h6-9,12,14-15H,3-5,10-11H2,1-2H3,(H,36,37)(H2,29,30,33,38)
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n/an/a 8n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ParE


Eur J Med Chem 157: 610-621 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.025
BindingDB Entry DOI: 10.7270/Q28P637N
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit B


(Escherichia coli (strain K12))
BDBM50470395
PNG
(CHEMBL4279313)
Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)C(=O)NS(C)(=O)=O
Show InChI InChI=1S/C26H29F3N8O4S2/c1-4-30-25(39)34-21-8-18(24-33-20(13-42-24)26(27,28)29)19(10-31-21)17-7-14(23(38)35-43(3,40)41)9-32-22(17)37-15-5-6-16(37)12-36(2)11-15/h7-10,13,15-16H,4-6,11-12H2,1-3H3,(H,35,38)(H2,30,31,34,39)
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n/an/a 9n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ParE


Eur J Med Chem 157: 610-621 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.025
BindingDB Entry DOI: 10.7270/Q28P637N
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit B


(Escherichia coli (strain K12))
BDBM50470405
PNG
(CHEMBL4289650)
Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(ccc1N1C2CCC1CN(C)C2)C(O)=O
Show InChI InChI=1S/C26H27F3N6O3S/c1-3-30-25(38)33-22-9-18(23-32-21(13-39-23)26(27,28)29)19(10-31-22)17-8-14(24(36)37)4-7-20(17)35-15-5-6-16(35)12-34(2)11-15/h4,7-10,13,15-16H,3,5-6,11-12H2,1-2H3,(H,36,37)(H2,30,31,33,38)
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n/an/a 10n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ParE


Eur J Med Chem 157: 610-621 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.025
BindingDB Entry DOI: 10.7270/Q28P637N
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit B


(Escherichia coli (strain K12))
BDBM50470393
PNG
(CHEMBL4291061)
Show SMILES [H][C@]12CC[C@]([H])(C[C@H](N)C1)N2c1ncc(cc1-c1cnc(NC(=O)NCC)cc1-c1nc(cs1)C(F)(F)F)-c1n[nH]c(=O)o1 |r|
Show InChI InChI=1S/C26H26F3N9O3S/c1-2-31-24(39)35-20-8-17(23-34-19(11-42-23)26(27,28)29)18(10-32-20)16-5-12(22-36-37-25(40)41-22)9-33-21(16)38-14-3-4-15(38)7-13(30)6-14/h5,8-11,13-15H,2-4,6-7,30H2,1H3,(H,37,40)(H2,31,32,35,39)/t13-,14+,15-
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n/an/a 12n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ParE


Eur J Med Chem 157: 610-621 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.025
BindingDB Entry DOI: 10.7270/Q28P637N
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit B


(Escherichia coli (strain K12))
BDBM50470404
PNG
(CHEMBL4279382)
Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1C2CCC1CN(C)C2
Show InChI InChI=1S/C27H27F3N8OS/c1-3-31-26(39)36-23-10-18(25-35-22(14-40-25)27(28,29)30)19(11-33-23)17-9-21-20(5-4-8-32-21)34-24(17)38-15-6-7-16(38)13-37(2)12-15/h4-5,8-11,14-16H,3,6-7,12-13H2,1-2H3,(H2,31,33,36,39)
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n/an/a 14n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ParE


Eur J Med Chem 157: 610-621 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.025
BindingDB Entry DOI: 10.7270/Q28P637N
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit B


(Escherichia coli (strain K12))
BDBM50470402
PNG
(CHEMBL4278317)
Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1CC2CCC1CN2
Show InChI InChI=1S/C26H25F3N8OS/c1-2-30-25(38)36-22-9-17(24-35-21(13-39-24)26(27,28)29)18(11-33-22)16-8-20-19(4-3-7-31-20)34-23(16)37-12-14-5-6-15(37)10-32-14/h3-4,7-9,11,13-15,32H,2,5-6,10,12H2,1H3,(H2,30,33,36,38)
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n/an/a 21n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ParE


Eur J Med Chem 157: 610-621 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.025
BindingDB Entry DOI: 10.7270/Q28P637N
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit B


(Escherichia coli (strain K12))
BDBM50470399
PNG
(CHEMBL4286573)
Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1CCC(N)CC1)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C24H24F3N9O3S/c1-2-29-22(37)33-18-8-15(21-32-17(11-40-21)24(25,26)27)16(10-30-18)14-7-12(20-34-35-23(38)39-20)9-31-19(14)36-5-3-13(28)4-6-36/h7-11,13H,2-6,28H2,1H3,(H,35,38)(H2,29,30,33,37)
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n/an/a 23n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ParE


Eur J Med Chem 157: 610-621 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.025
BindingDB Entry DOI: 10.7270/Q28P637N
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit B


(Escherichia coli (strain K12))
BDBM50470406
PNG
(CHEMBL4295081)
Show SMILES [H][C@]12CC[C@]([H])(C[C@H](N)C1)N2c1nc2cccnc2cc1-c1cnc(NC(=O)NCC)cc1-c1nc(cs1)C(F)(F)F |r|
Show InChI InChI=1S/C27H27F3N8OS/c1-2-32-26(39)37-23-11-18(25-36-22(13-40-25)27(28,29)30)19(12-34-23)17-10-21-20(4-3-7-33-21)35-24(17)38-15-5-6-16(38)9-14(31)8-15/h3-4,7,10-16H,2,5-6,8-9,31H2,1H3,(H2,32,34,37,39)/t14-,15+,16-
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n/an/a 24n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ParE


Eur J Med Chem 157: 610-621 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.025
BindingDB Entry DOI: 10.7270/Q28P637N
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit B


(Escherichia coli (strain K12))
BDBM50470398
PNG
(CHEMBL4286232)
Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1CC2CCCC(C1)N2 |THB:30:31:39:34.35.36|
Show InChI InChI=1S/C27H27F3N8OS/c1-2-31-26(39)37-23-10-18(25-36-22(14-40-25)27(28,29)30)19(11-33-23)17-9-21-20(7-4-8-32-21)35-24(17)38-12-15-5-3-6-16(13-38)34-15/h4,7-11,14-16,34H,2-3,5-6,12-13H2,1H3,(H2,31,33,37,39)
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n/an/a 25n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ParE


Eur J Med Chem 157: 610-621 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.025
BindingDB Entry DOI: 10.7270/Q28P637N
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit B


(Escherichia coli (strain K12))
BDBM50470396
PNG
(CHEMBL4293447)
Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1CCC(N)CC1
Show InChI InChI=1S/C25H25F3N8OS/c1-2-30-24(37)35-21-11-16(23-34-20(13-38-23)25(26,27)28)17(12-32-21)15-10-19-18(4-3-7-31-19)33-22(15)36-8-5-14(29)6-9-36/h3-4,7,10-14H,2,5-6,8-9,29H2,1H3,(H2,30,32,35,37)
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n/an/a 49n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ParE


Eur J Med Chem 157: 610-621 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.025
BindingDB Entry DOI: 10.7270/Q28P637N
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit B


(Escherichia coli (strain K12))
BDBM50470401
PNG
(CHEMBL4290062)
Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1C2CC1CN(C)C2
Show InChI InChI=1S/C26H25F3N8OS/c1-3-30-25(38)35-22-9-17(24-34-21(13-39-24)26(27,28)29)18(10-32-22)16-8-20-19(5-4-6-31-20)33-23(16)37-14-7-15(37)12-36(2)11-14/h4-6,8-10,13-15H,3,7,11-12H2,1-2H3,(H2,30,32,35,38)
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n/an/a 200n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ParE


Eur J Med Chem 157: 610-621 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.025
BindingDB Entry DOI: 10.7270/Q28P637N
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit B


(Escherichia coli (strain K12))
BDBM50470397
PNG
(CHEMBL4294536)
Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1CCN(C)CC1
Show InChI InChI=1S/C25H25F3N8OS/c1-3-29-24(37)34-21-12-16(23-33-20(14-38-23)25(26,27)28)17(13-31-21)15-11-19-18(5-4-6-30-19)32-22(15)36-9-7-35(2)8-10-36/h4-6,11-14H,3,7-10H2,1-2H3,(H2,29,31,34,37)
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n/an/a 400n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ParE


Eur J Med Chem 157: 610-621 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.025
BindingDB Entry DOI: 10.7270/Q28P637N
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit B


(Escherichia coli (strain K12))
BDBM50006565
PNG
(CHEMBL3235085)
Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cncc(c1)C(O)=O
Show InChI InChI=1S/C18H14F3N5O3S/c1-2-23-17(29)26-14-4-11(15-25-13(8-30-15)18(19,20)21)12(7-24-14)9-3-10(16(27)28)6-22-5-9/h3-8H,2H2,1H3,(H,27,28)(H2,23,24,26,29)
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n/an/a 700n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ParE


Eur J Med Chem 157: 610-621 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.025
BindingDB Entry DOI: 10.7270/Q28P637N
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit B


(Escherichia coli (strain K12))
BDBM50058511
PNG
(CHEMBL3329318)
Show SMILES CCNC(=O)Nc1cc(Nc2cccc(O)c2)c(cn1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C20H20N6O3/c1-2-22-20(29)26-18-10-17(24-13-5-3-7-15(27)9-13)16(12-23-18)19(28)25-14-6-4-8-21-11-14/h3-12,27H,2H2,1H3,(H,25,28)(H3,22,23,24,26,29)
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n/an/a 780n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ParE


Eur J Med Chem 86: 31-8 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.025
BindingDB Entry DOI: 10.7270/Q2S75J0P
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit B


(Escherichia coli (strain K12))
BDBM50058509
PNG
(CHEMBL3329317)
Show SMILES CCNC(=O)Nc1cc(Nc2ccc(O)cc2)c(cn1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C20H20N6O3/c1-2-22-20(29)26-18-10-17(24-13-5-7-15(27)8-6-13)16(12-23-18)19(28)25-14-4-3-9-21-11-14/h3-12,27H,2H2,1H3,(H,25,28)(H3,22,23,24,26,29)
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n/an/a 940n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ParE


Eur J Med Chem 86: 31-8 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.025
BindingDB Entry DOI: 10.7270/Q2S75J0P
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit B


(Escherichia coli (strain K12))
BDBM50470407
PNG
(CHEMBL4286625)
Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cnc2cccnc2c1
Show InChI InChI=1S/C20H15F3N6OS/c1-2-24-19(30)29-17-7-12(18-28-16(10-31-18)20(21,22)23)13(9-27-17)11-6-15-14(26-8-11)4-3-5-25-15/h3-10H,2H2,1H3,(H2,24,27,29,30)
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UniProtKB/SwissProt

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n/an/a 2.01E+3n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ParE


Eur J Med Chem 157: 610-621 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.025
BindingDB Entry DOI: 10.7270/Q28P637N
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit B


(Escherichia coli (strain K12))
BDBM50058510
PNG
(CHEMBL3329319)
Show SMILES CCNC(=O)Nc1cc(Nc2ccc(OC)cc2OC)c(cn1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C22H24N6O4/c1-4-24-22(30)28-20-11-18(27-17-8-7-15(31-2)10-19(17)32-3)16(13-25-20)21(29)26-14-6-5-9-23-12-14/h5-13H,4H2,1-3H3,(H,26,29)(H3,24,25,27,28,30)
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Similars

Article
PubMed
n/an/a 4.20E+4n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ParE


Eur J Med Chem 86: 31-8 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.025
BindingDB Entry DOI: 10.7270/Q2S75J0P
More data for this
Ligand-Target Pair