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Compile Data Set for Download or QSAR

Found 14 hits from Daiichi Pharmaceutical Co. Ltd   
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 A


(Staphylococcus aureus subsp. aureus Mu50)
BDBM50474900
PNG
(CHEMBL365638)
Show SMILES N[C@@H]1[C@H]2C[C@H]2C[C@@H]2CN(C[C@H]12)c1c(F)c(N)c2c(c1F)n(cc(C(O)=O)c2=O)[C@@H]1C[C@@H]1F
Show InChI InChI=1S/C22H23F3N4O3/c23-12-3-13(12)29-6-11(22(31)32)21(30)14-18(27)15(24)20(16(25)19(14)29)28-4-8-1-7-2-9(7)17(26)10(8)5-28/h6-10,12-13,17H,1-5,26-27H2,(H,31,32)/t7-,8-,9+,10+,12+,13-,17-/m1/s1
UniProtKB/SwissProt

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n/an/a 312n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus DNA topoisomerase IV


Bioorg Med Chem Lett 14: 5193-8 (2004)

More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A


(Staphylococcus aureus subsp. aureus Mu50)
BDBM50474895
PNG
(CHEMBL186870)
Show SMILES N[C@@H]1CCC[C@@H]2CN(C[C@H]12)c1c(F)c(N)c2c(c1F)n(cc(C(O)=O)c2=O)[C@@H]1C[C@@H]1F
Show InChI InChI=1S/C21H23F3N4O3/c22-11-4-13(11)28-7-10(21(30)31)20(29)14-17(26)15(23)19(16(24)18(14)28)27-5-8-2-1-3-12(25)9(8)6-27/h7-9,11-13H,1-6,25-26H2,(H,30,31)/t8-,9+,11+,12-,13-/m1/s1
UniProtKB/SwissProt

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n/an/a 412n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus DNA topoisomerase IV


Bioorg Med Chem Lett 14: 5193-8 (2004)

More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A


(Staphylococcus aureus subsp. aureus Mu50)
BDBM50474901
PNG
(CHEMBL360168)
Show SMILES Nc1c(F)c(N2C[C@H]3CC[C@H]4C[C@@]4(N)[C@H]3C2)c(F)c2n(cc(C(O)=O)c(=O)c12)[C@@H]1C[C@@H]1F
Show InChI InChI=1S/C22H23F3N4O3/c23-12-3-13(12)29-6-10(21(31)32)20(30)14-17(26)15(24)19(16(25)18(14)29)28-5-8-1-2-9-4-22(9,27)11(8)7-28/h6,8-9,11-13H,1-5,7,26-27H2,(H,31,32)/t8-,9+,11+,12+,13-,22+/m1/s1
UniProtKB/SwissProt

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n/an/a 668n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus DNA topoisomerase IV


Bioorg Med Chem Lett 14: 5193-8 (2004)

More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A


(Staphylococcus aureus subsp. aureus Mu50)
BDBM50474899
PNG
(CHEMBL187796)
Show SMILES Cc1c(N2C[C@H]3CCC[C@@H](N)[C@H]3C2)c(F)c(N)c2c1n(cc(C(O)=O)c2=O)[C@@H]1C[C@@H]1F
Show InChI InChI=1S/C22H26F2N4O3/c1-9-19-16(21(29)12(22(30)31)8-28(19)15-5-13(15)23)18(26)17(24)20(9)27-6-10-3-2-4-14(25)11(10)7-27/h8,10-11,13-15H,2-7,25-26H2,1H3,(H,30,31)/t10-,11+,13+,14-,15-/m1/s1
UniProtKB/SwissProt

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n/an/a 716n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus DNA topoisomerase IV


Bioorg Med Chem Lett 14: 5193-8 (2004)

More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A


(Staphylococcus aureus subsp. aureus Mu50)
BDBM50474896
PNG
(CHEMBL184167)
Show SMILES Cc1c(N2C[C@@H](F)[C@H](C2)C2CC2N)c(F)c(N)c2c1n(cc(C(O)=O)c2=O)[C@@H]1C[C@@H]1F
Show InChI InChI=1S/C21H23F3N4O3/c1-7-18-15(20(29)10(21(30)31)5-28(18)14-3-11(14)22)17(26)16(24)19(7)27-4-9(12(23)6-27)8-2-13(8)25/h5,8-9,11-14H,2-4,6,25-26H2,1H3,(H,30,31)/t8?,9-,11+,12-,13?,14-/m1/s1
UniProtKB/SwissProt

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n/an/a 733n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus DNA topoisomerase IV


Bioorg Med Chem Lett 14: 5193-8 (2004)

More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A


(Staphylococcus aureus subsp. aureus Mu50)
BDBM50474898
PNG
(CHEMBL363725)
Show SMILES Cc1c(N2C[C@H]3CC[C@H]4C[C@@]4(N)[C@H]3C2)c(F)c(N)c2c1n(cc(C(O)=O)c2=O)[C@@H]1C[C@@H]1F
Show InChI InChI=1S/C23H26F2N4O3/c1-9-19-16(21(30)12(22(31)32)7-29(19)15-4-14(15)24)18(26)17(25)20(9)28-6-10-2-3-11-5-23(11,27)13(10)8-28/h7,10-11,13-15H,2-6,8,26-27H2,1H3,(H,31,32)/t10-,11+,13+,14+,15-,23+/m1/s1
UniProtKB/SwissProt

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n/an/a 809n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus DNA topoisomerase IV


Bioorg Med Chem Lett 14: 5193-8 (2004)

More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A


(Staphylococcus aureus subsp. aureus Mu50)
BDBM50474897
PNG
(CHEMBL184489)
Show SMILES N[C@H]1[C@H]2C[C@H]2C[C@@H]2CN(C[C@H]12)c1c(F)c(N)c2c(c1F)n(cc(C(O)=O)c2=O)[C@@H]1C[C@@H]1F
Show InChI InChI=1S/C22H23F3N4O3/c23-12-3-13(12)29-6-11(22(31)32)21(30)14-18(27)15(24)20(16(25)19(14)29)28-4-8-1-7-2-9(7)17(26)10(8)5-28/h6-10,12-13,17H,1-5,26-27H2,(H,31,32)/t7-,8-,9+,10+,12+,13-,17+/m1/s1
UniProtKB/SwissProt

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UniChem
PubMed
n/an/a 847n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus DNA topoisomerase IV


Bioorg Med Chem Lett 14: 5193-8 (2004)

More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50474899
PNG
(CHEMBL187796)
Show SMILES Cc1c(N2C[C@H]3CCC[C@@H](N)[C@H]3C2)c(F)c(N)c2c1n(cc(C(O)=O)c2=O)[C@@H]1C[C@@H]1F
Show InChI InChI=1S/C22H26F2N4O3/c1-9-19-16(21(29)12(22(30)31)8-28(19)15-5-13(15)23)18(26)17(24)20(9)27-6-10-3-2-4-14(25)11(10)7-27/h8,10-11,13-15H,2-7,25-26H2,1H3,(H,30,31)/t10-,11+,13+,14-,15-/m1/s1
PDB

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n/an/a 1.08E+4n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against human DNA topoisomerase II


Bioorg Med Chem Lett 14: 5193-8 (2004)

More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50474897
PNG
(CHEMBL184489)
Show SMILES N[C@H]1[C@H]2C[C@H]2C[C@@H]2CN(C[C@H]12)c1c(F)c(N)c2c(c1F)n(cc(C(O)=O)c2=O)[C@@H]1C[C@@H]1F
Show InChI InChI=1S/C22H23F3N4O3/c23-12-3-13(12)29-6-11(22(31)32)21(30)14-18(27)15(24)20(16(25)19(14)29)28-4-8-1-7-2-9(7)17(26)10(8)5-28/h6-10,12-13,17H,1-5,26-27H2,(H,31,32)/t7-,8-,9+,10+,12+,13-,17+/m1/s1
PDB

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PubMed
n/an/a 1.49E+4n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against human DNA topoisomerase II


Bioorg Med Chem Lett 14: 5193-8 (2004)

More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50474895
PNG
(CHEMBL186870)
Show SMILES N[C@@H]1CCC[C@@H]2CN(C[C@H]12)c1c(F)c(N)c2c(c1F)n(cc(C(O)=O)c2=O)[C@@H]1C[C@@H]1F
Show InChI InChI=1S/C21H23F3N4O3/c22-11-4-13(11)28-7-10(21(30)31)20(29)14-17(26)15(23)19(16(24)18(14)28)27-5-8-2-1-3-12(25)9(8)6-27/h7-9,11-13H,1-6,25-26H2,(H,30,31)/t8-,9+,11+,12-,13-/m1/s1
PDB

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PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against human DNA topoisomerase II


Bioorg Med Chem Lett 14: 5193-8 (2004)

More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50474900
PNG
(CHEMBL365638)
Show SMILES N[C@@H]1[C@H]2C[C@H]2C[C@@H]2CN(C[C@H]12)c1c(F)c(N)c2c(c1F)n(cc(C(O)=O)c2=O)[C@@H]1C[C@@H]1F
Show InChI InChI=1S/C22H23F3N4O3/c23-12-3-13(12)29-6-11(22(31)32)21(30)14-18(27)15(24)20(16(25)19(14)29)28-4-8-1-7-2-9(7)17(26)10(8)5-28/h6-10,12-13,17H,1-5,26-27H2,(H,31,32)/t7-,8-,9+,10+,12+,13-,17-/m1/s1
PDB

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PubMed
n/an/a 4.90E+4n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against human DNA topoisomerase II


Bioorg Med Chem Lett 14: 5193-8 (2004)

More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50474901
PNG
(CHEMBL360168)
Show SMILES Nc1c(F)c(N2C[C@H]3CC[C@H]4C[C@@]4(N)[C@H]3C2)c(F)c2n(cc(C(O)=O)c(=O)c12)[C@@H]1C[C@@H]1F
Show InChI InChI=1S/C22H23F3N4O3/c23-12-3-13(12)29-6-10(21(31)32)20(30)14-17(26)15(24)19(16(25)18(14)29)28-5-8-1-2-9-4-22(9,27)11(8)7-28/h6,8-9,11-13H,1-5,7,26-27H2,(H,31,32)/t8-,9+,11+,12+,13-,22+/m1/s1
PDB

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PubMed
n/an/a 4.90E+4n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against human DNA topoisomerase II


Bioorg Med Chem Lett 14: 5193-8 (2004)

More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50474898
PNG
(CHEMBL363725)
Show SMILES Cc1c(N2C[C@H]3CC[C@H]4C[C@@]4(N)[C@H]3C2)c(F)c(N)c2c1n(cc(C(O)=O)c2=O)[C@@H]1C[C@@H]1F
Show InChI InChI=1S/C23H26F2N4O3/c1-9-19-16(21(30)12(22(31)32)7-29(19)15-4-14(15)24)18(26)17(25)20(9)28-6-10-2-3-11-5-23(11,27)13(10)8-28/h7,10-11,13-15H,2-6,8,26-27H2,1H3,(H,31,32)/t10-,11+,13+,14+,15-,23+/m1/s1
PDB

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n/an/a 7.64E+4n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against human DNA topoisomerase II


Bioorg Med Chem Lett 14: 5193-8 (2004)

More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50474896
PNG
(CHEMBL184167)
Show SMILES Cc1c(N2C[C@@H](F)[C@H](C2)C2CC2N)c(F)c(N)c2c1n(cc(C(O)=O)c2=O)[C@@H]1C[C@@H]1F
Show InChI InChI=1S/C21H23F3N4O3/c1-7-18-15(20(29)10(21(30)31)5-28(18)14-3-11(14)22)17(26)16(24)19(7)27-4-9(12(23)6-27)8-2-13(8)25/h5,8-9,11-14H,2-4,6,25-26H2,1H3,(H,30,31)/t8?,9-,11+,12-,13?,14-/m1/s1
PDB

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n/an/a 1.14E+5n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against human DNA topoisomerase II


Bioorg Med Chem Lett 14: 5193-8 (2004)

More data for this
Ligand-Target Pair