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Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with Target = 'DNA topoisomerase (ATP-hydrolyzing)'   
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 (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50378443
PNG
(CHEMBL568020)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1ccc(C)nc1)-c1ncccn1
Show InChI InChI=1S/C20H19N7O/c1-3-21-20(28)26-17-12-27-16(19-22-7-4-8-23-19)9-15(10-18(27)25-17)14-6-5-13(2)24-11-14/h4-12H,3H2,1-2H3,(H2,21,26,28)
PDB
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n/an/a 119n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA topoisomerase (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50378445
PNG
(CHEMBL565776)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1ccc(OC)nc1)-c1ncc(C)cn1
Show InChI InChI=1S/C21H21N7O2/c1-4-22-21(29)27-17-12-28-16(20-24-9-13(2)10-25-20)7-15(8-18(28)26-17)14-5-6-19(30-3)23-11-14/h5-12H,4H2,1-3H3,(H2,22,27,29)
PDB
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n/an/a 147n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA topoisomerase (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50378426
PNG
(CHEMBL577478)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1ncc(C)cn1
Show InChI InChI=1S/C20H19N7O/c1-3-22-20(28)26-17-12-27-16(19-23-9-13(2)10-24-19)7-15(8-18(27)25-17)14-5-4-6-21-11-14/h4-12H,3H2,1-2H3,(H2,22,26,28)
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n/an/a 250n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA topoisomerase (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50378451
PNG
(CHEMBL578362)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cncnc1)-c1ncc(C)cn1
Show InChI InChI=1S/C19H18N8O/c1-3-22-19(28)26-16-10-27-15(18-23-6-12(2)7-24-18)4-13(5-17(27)25-16)14-8-20-11-21-9-14/h4-11H,3H2,1-2H3,(H2,22,26,28)
PDB
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n/an/a 258n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA topoisomerase (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50378428
PNG
(CHEMBL578120)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1ncc(CC)cn1
Show InChI InChI=1S/C21H21N7O/c1-3-14-10-24-20(25-11-14)17-8-16(15-6-5-7-22-12-15)9-19-26-18(13-28(17)19)27-21(29)23-4-2/h5-13H,3-4H2,1-2H3,(H2,23,27,29)
PDB
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n/an/a 265n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA topoisomerase (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50378450
PNG
(CHEMBL578361)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cncnc1)-c1ncccn1
Show InChI InChI=1S/C18H16N8O/c1-2-21-18(27)25-15-10-26-14(17-22-4-3-5-23-17)6-12(7-16(26)24-15)13-8-19-11-20-9-13/h3-11H,2H2,1H3,(H2,21,25,27)
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n/an/a 280n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA topoisomerase (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50378429
PNG
(CHEMBL583049)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1ncc(F)cn1
Show InChI InChI=1S/C19H16FN7O/c1-2-22-19(28)26-16-11-27-15(18-23-9-14(20)10-24-18)6-13(7-17(27)25-16)12-4-3-5-21-8-12/h3-11H,2H2,1H3,(H2,22,26,28)
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n/an/a 364n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA topoisomerase (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50378453
PNG
(CHEMBL567804)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cnc(nc1)N1CCCC1)-c1ncc(C)cn1
Show InChI InChI=1S/C23H25N9O/c1-3-24-23(33)30-19-14-32-18(21-25-10-15(2)11-26-21)8-16(9-20(32)29-19)17-12-27-22(28-13-17)31-6-4-5-7-31/h8-14H,3-7H2,1-2H3,(H2,24,30,33)
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n/an/a 366n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA topoisomerase (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50378427
PNG
(CHEMBL565572)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1ncc(cn1)C(F)(F)F
Show InChI InChI=1S/C20H16F3N7O/c1-2-25-19(31)29-16-11-30-15(18-26-9-14(10-27-18)20(21,22)23)6-13(7-17(30)28-16)12-4-3-5-24-8-12/h3-11H,2H2,1H3,(H2,25,29,31)
PDB
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n/an/a 367n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA topoisomerase (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50378444
PNG
(CHEMBL568021)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1ccc(C)nc1)-c1ncc(C)cn1
Show InChI InChI=1S/C21H21N7O/c1-4-22-21(29)27-18-12-28-17(20-24-9-13(2)10-25-20)7-16(8-19(28)26-18)15-6-5-14(3)23-11-15/h5-12H,4H2,1-3H3,(H2,22,27,29)
PDB
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n/an/a 373n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA topoisomerase (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50378430
PNG
(CHEMBL568019)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1ncc(Cl)cn1
Show InChI InChI=1S/C19H16ClN7O/c1-2-22-19(28)26-16-11-27-15(18-23-9-14(20)10-24-18)6-13(7-17(27)25-16)12-4-3-5-21-8-12/h3-11H,2H2,1H3,(H2,22,26,28)
PDB
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n/an/a 419n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA topoisomerase (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50378447
PNG
(CHEMBL577909)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cnc(nc1)N(C)C)-c1nccc(C)n1
Show InChI InChI=1S/C21H23N9O/c1-5-22-21(31)28-17-12-30-16(19-23-7-6-13(2)26-19)8-14(9-18(30)27-17)15-10-24-20(25-11-15)29(3)4/h6-12H,5H2,1-4H3,(H2,22,28,31)
PDB
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n/an/a 424n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA topoisomerase (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50378425
PNG
(CHEMBL565765)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1ncccn1
Show InChI InChI=1S/C19H17N7O/c1-2-21-19(27)25-16-12-26-15(18-22-7-4-8-23-18)9-14(10-17(26)24-16)13-5-3-6-20-11-13/h3-12H,2H2,1H3,(H2,21,25,27)
PDB
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n/an/a 447n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA topoisomerase (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50378442
PNG
(CHEMBL577922)
Show SMILES CN(C(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1ncc(C)cn1)C(F)(F)F
Show InChI InChI=1S/C20H16F3N7O/c1-12-8-25-18(26-9-12)15-6-14(13-4-3-5-24-10-13)7-17-27-16(11-30(15)17)28-19(31)29(2)20(21,22)23/h3-11H,1-2H3,(H,28,31)
PDB
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n/an/a 504n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA topoisomerase (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50378435
PNG
(CHEMBL578336)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1nc(C)cc(C)n1
Show InChI InChI=1S/C21H21N7O/c1-4-23-21(29)27-18-12-28-17(20-24-13(2)8-14(3)25-20)9-16(10-19(28)26-18)15-6-5-7-22-11-15/h5-12H,4H2,1-3H3,(H2,23,27,29)
PDB
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n/an/a 541n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA topoisomerase (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50378436
PNG
(CHEMBL578991)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1nc(C)cc(n1)C(F)(F)F
Show InChI InChI=1S/C21H18F3N7O/c1-3-26-20(32)30-17-11-31-15(19-27-12(2)7-16(28-19)21(22,23)24)8-14(9-18(31)29-17)13-5-4-6-25-10-13/h4-11H,3H2,1-2H3,(H2,26,30,32)
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n/an/a 546n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA topoisomerase (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50378440
PNG
(CHEMBL571734)
Show SMILES Cc1cnc(nc1)-c1cc(cc2nc(NC(=O)NC3CC3)cn12)-c1cccnc1
Show InChI InChI=1S/C21H19N7O/c1-13-9-23-20(24-10-13)17-7-15(14-3-2-6-22-11-14)8-19-26-18(12-28(17)19)27-21(29)25-16-4-5-16/h2-3,6-12,16H,4-5H2,1H3,(H2,25,27,29)
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n/an/a 571n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA topoisomerase (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50378448
PNG
(CHEMBL577041)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cnc(nc1)N(C)C)-c1ncccn1
Show InChI InChI=1S/C20H21N9O/c1-4-21-20(30)27-16-12-29-15(18-22-6-5-7-23-18)8-13(9-17(29)26-16)14-10-24-19(25-11-14)28(2)3/h5-12H,4H2,1-3H3,(H2,21,27,30)
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n/an/a 611n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA topoisomerase (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50378420
PNG
(CHEMBL565750)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1ccn(CC)c(=O)c1)-c1ncc(C)cn1
Show InChI InChI=1S/C22H23N7O2/c1-4-23-22(31)27-18-13-29-17(21-24-11-14(3)12-25-21)8-16(9-19(29)26-18)15-6-7-28(5-2)20(30)10-15/h6-13H,4-5H2,1-3H3,(H2,23,27,31)
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n/an/a 624n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA topoisomerase (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50378438
PNG
(CHEMBL577053)
Show SMILES CNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1ncc(C)cn1
Show InChI InChI=1S/C19H17N7O/c1-12-8-22-18(23-9-12)15-6-14(13-4-3-5-21-10-13)7-17-24-16(11-26(15)17)25-19(27)20-2/h3-11H,1-2H3,(H2,20,25,27)
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n/an/a 629n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA topoisomerase (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50378437
PNG
(CHEMBL578992)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1nc(cc(n1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H15F6N7O/c1-2-29-19(35)33-16-10-34-13(6-12(7-17(34)32-16)11-4-3-5-28-9-11)18-30-14(20(22,23)24)8-15(31-18)21(25,26)27/h3-10H,2H2,1H3,(H2,29,33,35)
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n/an/a 745n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA topoisomerase (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50378433
PNG
(CHEMBL584265)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1nccc(n1)C(=O)OC
Show InChI InChI=1S/C21H19N7O3/c1-3-23-21(30)27-17-12-28-16(19-24-8-6-15(25-19)20(29)31-2)9-14(10-18(28)26-17)13-5-4-7-22-11-13/h4-12H,3H2,1-2H3,(H2,23,27,30)
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n/an/a 911n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA topoisomerase (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50378421
PNG
(CHEMBL578149)
Show SMILES CCCn1ccc(cc1=O)-c1cc(-c2ncc(C)cn2)n2cc(NC(=O)NCC)nc2c1
Show InChI InChI=1S/C23H25N7O2/c1-4-7-29-8-6-16(11-21(29)31)17-9-18(22-25-12-15(3)13-26-22)30-14-19(27-20(30)10-17)28-23(32)24-5-2/h6,8-14H,4-5,7H2,1-3H3,(H2,24,28,32)
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n/an/a 1.02E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA topoisomerase (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50378449
PNG
(CHEMBL576228)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cnc(nc1)N(C)C)-c1ncc(C)cn1
Show InChI InChI=1S/C21H23N9O/c1-5-22-21(31)28-17-12-30-16(19-23-8-13(2)9-24-19)6-14(7-18(30)27-17)15-10-25-20(26-11-15)29(3)4/h6-12H,5H2,1-4H3,(H2,22,28,31)
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n/an/a 1.38E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA topoisomerase (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50378432
PNG
(CHEMBL571959)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1ncc(cn1)C(C)C
Show InChI InChI=1S/C22H23N7O/c1-4-24-22(30)28-19-13-29-18(21-25-11-17(12-26-21)14(2)3)8-16(9-20(29)27-19)15-6-5-7-23-10-15/h5-14H,4H2,1-3H3,(H2,24,28,30)
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n/an/a 1.38E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA topoisomerase (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50378422
PNG
(CHEMBL583438)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1ccn(CCOC)c(=O)c1)-c1ncc(C)cn1
Show InChI InChI=1S/C23H25N7O3/c1-4-24-23(32)28-19-14-30-18(22-25-12-15(2)13-26-22)9-17(10-20(30)27-19)16-5-6-29(7-8-33-3)21(31)11-16/h5-6,9-14H,4,7-8H2,1-3H3,(H2,24,28,32)
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n/an/a 1.64E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA topoisomerase (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50378431
PNG
(CHEMBL568222)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1ncc(cn1)S(C)(=O)=O
Show InChI InChI=1S/C20H19N7O3S/c1-3-22-20(28)26-17-12-27-16(19-23-10-15(11-24-19)31(2,29)30)7-14(8-18(27)25-17)13-5-4-6-21-9-13/h4-12H,3H2,1-2H3,(H2,22,26,28)
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n/an/a 1.83E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA topoisomerase (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50423645
PNG
(Albamycin | Cathomycin | NOVOBIOCIN)
Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@H](-[#8])-[#6@@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6]
Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25-,26+,29-/m0/s1
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n/an/a 2.03E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA topoisomerase (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50378423
PNG
(CHEMBL583440)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1ccn(CC(O)=O)c(=O)c1)-c1ncc(C)cn1
Show InChI InChI=1S/C22H21N7O4/c1-3-23-22(33)27-17-11-29-16(21-24-9-13(2)10-25-21)6-15(7-18(29)26-17)14-4-5-28(12-20(31)32)19(30)8-14/h4-11H,3,12H2,1-2H3,(H,31,32)(H2,23,27,33)
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n/an/a 2.14E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA topoisomerase (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50378452
PNG
(CHEMBL583870)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cnc(OC)nc1)-c1ncc(C)cn1
Show InChI InChI=1S/C20H20N8O2/c1-4-21-19(29)27-16-11-28-15(18-22-7-12(2)8-23-18)5-13(6-17(28)26-16)14-9-24-20(30-3)25-10-14/h5-11H,4H2,1-3H3,(H2,21,27,29)
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n/an/a 3.64E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA topoisomerase (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50378434
PNG
(CHEMBL565971)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1nccc(n1)C1CC1
Show InChI InChI=1S/C22H21N7O/c1-2-24-22(30)28-19-13-29-18(21-25-9-7-17(26-21)14-5-6-14)10-16(11-20(29)27-19)15-4-3-8-23-12-15/h3-4,7-14H,2,5-6H2,1H3,(H2,24,28,30)
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n/an/a 3.75E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA topoisomerase (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50378441
PNG
(CHEMBL578138)
Show SMILES CCCCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1ncc(C)cn1
Show InChI InChI=1S/C22H23N7O/c1-3-4-8-24-22(30)28-19-14-29-18(21-25-11-15(2)12-26-21)9-17(10-20(29)27-19)16-6-5-7-23-13-16/h5-7,9-14H,3-4,8H2,1-2H3,(H2,24,28,30)
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n/an/a 4.75E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA topoisomerase (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50378439
PNG
(CHEMBL565741)
Show SMILES CCC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1ncc(C)cn1
Show InChI InChI=1S/C20H18N6O/c1-3-19(27)25-17-12-26-16(20-22-9-13(2)10-23-20)7-15(8-18(26)24-17)14-5-4-6-21-11-14/h4-12H,3H2,1-2H3,(H,25,27)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA topoisomerase (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50378446
PNG
(CHEMBL577238)
Show SMILES CCOC(=O)Nc1cn2c(cc(cc2n1)-c1cnc(nc1)N(C)C)-c1nccc(C)n1
Show InChI InChI=1S/C21H22N8O2/c1-5-31-21(30)27-17-12-29-16(19-22-7-6-13(2)25-19)8-14(9-18(29)26-17)15-10-23-20(24-11-15)28(3)4/h6-12H,5H2,1-4H3,(H,27,30)
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n/an/a 6.22E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA topoisomerase (ATP-hydrolyzing)


(Streptococcus pneumoniae)
BDBM50378424
PNG
(CHEMBL565743)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1ccn(CCF)c(=O)c1)-c1ncc(C)cn1
Show InChI InChI=1S/C22H22FN7O2/c1-3-24-22(32)28-18-13-30-17(21-25-11-14(2)12-26-21)8-16(9-19(30)27-18)15-4-6-29(7-5-23)20(31)10-15/h4,6,8-13H,3,5,7H2,1-2H3,(H2,24,28,32)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair