Found 49 hits with Last Name = 'ofuji' and Initial = 'k' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50226181
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)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] |r| 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-/m1/s1 | PDB
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| MMDB
Article
PubMed
| n/a | n/a | 408 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Iinhibitory activity against Escherichia coli DNA gyrase |
J Med Chem 47: 3693-6 (2004)
Article DOI: 10.1021/jm030394f
BindingDB Entry DOI: 10.7270/Q2CN76N7 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50226181
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)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] |r| 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-/m1/s1 | PDB
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PubMed
| n/a | n/a | 408 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli DNA gyrase |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50223579
(CHEMBL442194)Show SMILES Cc1cc(=O)oc2cc(CCc3n[nH]c4cccc(OCc5ccc(cc5)C(C)(C)C)c34)ccc12 Show InChI InChI=1S/C30H30N2O3/c1-19-16-28(33)35-27-17-20(10-14-23(19)27)11-15-25-29-24(31-32-25)6-5-7-26(29)34-18-21-8-12-22(13-9-21)30(2,3)4/h5-10,12-14,16-17H,11,15,18H2,1-4H3,(H,31,32) | PDB
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| n/a | n/a | 535 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli DNA gyrase |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50366822
(AT-4140 | CI-978 | SPARFLOXACIN | Spara)Show SMILES C[C@H]1CN(C[C@@H](C)N1)c1c(F)c(N)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1 |r| Show InChI InChI=1S/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9+ | PDB
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PC cid
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| Article
PubMed
| n/a | n/a | 637 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Iinhibitory activity against Escherichia coli DNA gyrase |
J Med Chem 47: 3693-6 (2004)
Article DOI: 10.1021/jm030394f
BindingDB Entry DOI: 10.7270/Q2CN76N7 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50223575
(CHEMBL318448)Show SMILES COC(=O)C1CCCC(C1)NCc1cc(\C=C/c2cn(C)c3ccc(Cl)cc23)[nH]n1 Show InChI InChI=1S/C23H27ClN4O2/c1-28-14-16(21-11-17(24)7-9-22(21)28)6-8-19-12-20(27-26-19)13-25-18-5-3-4-15(10-18)23(29)30-2/h6-9,11-12,14-15,18,25H,3-5,10,13H2,1-2H3,(H,26,27)/b8-6- | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| n/a | n/a | 1.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli DNA gyrase |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50223589
(CHEMBL97620)Show SMILES COC(=O)C1CCCC(C1)NCc1n[nH]c2cccc(OCc3ccc(Cl)c(Cl)c3)c12 Show InChI InChI=1S/C23H25Cl2N3O3/c1-30-23(29)15-4-2-5-16(11-15)26-12-20-22-19(27-28-20)6-3-7-21(22)31-13-14-8-9-17(24)18(25)10-14/h3,6-10,15-16,26H,2,4-5,11-13H2,1H3,(H,27,28) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| n/a | n/a | 2.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli DNA gyrase |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50223614
(CHEMBL97490)Show SMILES COC(=O)C1CCCC(C1)Nc1[nH]nc2cccc(OCc3ccc(Cl)c(Cl)c3)c12 Show InChI InChI=1S/C22H23Cl2N3O3/c1-29-22(28)14-4-2-5-15(11-14)25-21-20-18(26-27-21)6-3-7-19(20)30-12-13-8-9-16(23)17(24)10-13/h3,6-10,14-15H,2,4-5,11-12H2,1H3,(H2,25,26,27) | PDB
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| n/a | n/a | 2.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli DNA gyrase |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50223600
(CHEMBL316656)Show SMILES COC(=O)C1CCCC(C1)NCc1cc(\C=C\c2cn(C)c3ccc(Cl)cc23)[nH]n1 Show InChI InChI=1S/C23H27ClN4O2/c1-28-14-16(21-11-17(24)7-9-22(21)28)6-8-19-12-20(27-26-19)13-25-18-5-3-4-15(10-18)23(29)30-2/h6-9,11-12,14-15,18,25H,3-5,10,13H2,1-2H3,(H,26,27)/b8-6+ | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| n/a | n/a | 2.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli DNA gyrase |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50223600
(CHEMBL316656)Show SMILES COC(=O)C1CCCC(C1)NCc1cc(\C=C\c2cn(C)c3ccc(Cl)cc23)[nH]n1 Show InChI InChI=1S/C23H27ClN4O2/c1-28-14-16(21-11-17(24)7-9-22(21)28)6-8-19-12-20(27-26-19)13-25-18-5-3-4-15(10-18)23(29)30-2/h6-9,11-12,14-15,18,25H,3-5,10,13H2,1-2H3,(H,26,27)/b8-6+ | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| n/a | n/a | 2.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli DNA gyrase |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50223575
(CHEMBL318448)Show SMILES COC(=O)C1CCCC(C1)NCc1cc(\C=C/c2cn(C)c3ccc(Cl)cc23)[nH]n1 Show InChI InChI=1S/C23H27ClN4O2/c1-28-14-16(21-11-17(24)7-9-22(21)28)6-8-19-12-20(27-26-19)13-25-18-5-3-4-15(10-18)23(29)30-2/h6-9,11-12,14-15,18,25H,3-5,10,13H2,1-2H3,(H,26,27)/b8-6- | PDB
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PC cid
PC sid
UniChem
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| n/a | n/a | 2.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli DNA gyrase |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50223603
(CHEMBL95741)Show SMILES COC(=O)C1CCCC(C1)NCc1n[nH]c2cccc(OCc3ccc(cc3)C(C)(C)C)c12 Show InChI InChI=1S/C27H35N3O3/c1-27(2,3)20-13-11-18(12-14-20)17-33-24-10-6-9-22-25(24)23(30-29-22)16-28-21-8-5-7-19(15-21)26(31)32-4/h6,9-14,19,21,28H,5,7-8,15-17H2,1-4H3,(H,29,30) | PDB
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PC cid
PC sid
UniChem
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| n/a | n/a | 8.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli DNA gyrase |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50223585
(CHEMBL95667)Show SMILES COC(=O)C1CN(Cc2n[nH]c3cccc(OCc4ccc(cc4)C(C)(C)C)c23)CCC1=O Show InChI InChI=1S/C26H31N3O4/c1-26(2,3)18-10-8-17(9-11-18)16-33-23-7-5-6-20-24(23)21(28-27-20)15-29-13-12-22(30)19(14-29)25(31)32-4/h5-11,19H,12-16H2,1-4H3,(H,27,28) | PDB
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PC cid
PC sid
UniChem
Similars
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| n/a | n/a | 8.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli DNA gyrase |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50223613
(CHEMBL96995)Show SMILES COC(=O)C1CCCC(C1)Nc1[nH]nc2cccc(OCc3ccc(cc3)C(C)(C)C)c12 Show InChI InChI=1S/C26H33N3O3/c1-26(2,3)19-13-11-17(12-14-19)16-32-22-10-6-9-21-23(22)24(29-28-21)27-20-8-5-7-18(15-20)25(30)31-4/h6,9-14,18,20H,5,7-8,15-16H2,1-4H3,(H2,27,28,29) | PDB
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PC cid
PC sid
UniChem
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| n/a | n/a | 9.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli DNA gyrase |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50223622
(CHEMBL99301)Show SMILES CCOC(=O)C1CCCN(Cc2n[nH]c3cccc(OCc4ccc(cc4)C(C)(C)C)c23)C1 Show InChI InChI=1S/C27H35N3O3/c1-5-32-26(31)20-8-7-15-30(16-20)17-23-25-22(28-29-23)9-6-10-24(25)33-18-19-11-13-21(14-12-19)27(2,3)4/h6,9-14,20H,5,7-8,15-18H2,1-4H3,(H,28,29) | PDB
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PC cid
PC sid
UniChem
Similars
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| n/a | n/a | 1.77E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli DNA gyrase |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50223597
(CHEMBL95777)Show SMILES Clc1cccc(c1)-n1nc(cc1\C=C\c1c[nH]c2ccc(Cl)cc12)C1CCNCC1 Show InChI InChI=1S/C24H22Cl2N4/c25-18-2-1-3-20(12-18)30-21(14-24(29-30)16-8-10-27-11-9-16)6-4-17-15-28-23-7-5-19(26)13-22(17)23/h1-7,12-16,27-28H,8-11H2/b6-4+ | PDB
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| Article
PubMed
| n/a | n/a | 1.82E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against supercoiling activity of DNA gyrase isolated from Escherichia coli |
Bioorg Med Chem Lett 15: 4299-303 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.103
BindingDB Entry DOI: 10.7270/Q2RJ4N7G |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50223621
(CHEMBL421006)Show SMILES COC(=O)[C@@H]1C[C@@H](CN1)NCc1n[nH]c2cccc(OCc3ccc(cc3)C(C)(C)C)c12 Show InChI InChI=1S/C25H32N4O3/c1-25(2,3)17-10-8-16(9-11-17)15-32-22-7-5-6-19-23(22)21(29-28-19)14-26-18-12-20(27-13-18)24(30)31-4/h5-11,18,20,26-27H,12-15H2,1-4H3,(H,28,29)/t18-,20-/m0/s1 | PDB
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PC cid
PC sid
UniChem
Similars
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| n/a | n/a | 1.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli DNA gyrase |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50223598
(CHEMBL316690)Show SMILES COC(=O)[C@@H]1C[C@H](CN1)NCc1n[nH]c2cccc(OCc3ccc(cc3)C(C)(C)C)c12 Show InChI InChI=1S/C25H32N4O3/c1-25(2,3)17-10-8-16(9-11-17)15-32-22-7-5-6-19-23(22)21(29-28-19)14-26-18-12-20(27-13-18)24(30)31-4/h5-11,18,20,26-27H,12-15H2,1-4H3,(H,28,29)/t18-,20+/m1/s1 | PDB
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PC cid
PC sid
UniChem
Patents
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| n/a | n/a | 1.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli DNA gyrase |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50223612
(CHEMBL329485)Show SMILES COC(=O)C1CCCC(C1)Nc1[nH]nc2cccc(OCc3ccccc3)c12 Show InChI InChI=1S/C22H25N3O3/c1-27-22(26)16-9-5-10-17(13-16)23-21-20-18(24-25-21)11-6-12-19(20)28-14-15-7-3-2-4-8-15/h2-4,6-8,11-12,16-17H,5,9-10,13-14H2,1H3,(H2,23,24,25) | PDB
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PC cid
PC sid
UniChem
Similars
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| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli DNA gyrase |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50223617
(CHEMBL95778)Show SMILES Cn1cc(\C=C\c2cc(nn2-c2cccc(Cl)c2)C2CCNCC2)c2cc(Cl)ccc12 Show InChI InChI=1S/C25H24Cl2N4/c1-30-16-18(23-14-20(27)6-8-25(23)30)5-7-22-15-24(17-9-11-28-12-10-17)29-31(22)21-4-2-3-19(26)13-21/h2-8,13-17,28H,9-12H2,1H3/b7-5+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| PubMed
| n/a | n/a | 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli DNA gyrase |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50223617
(CHEMBL95778)Show SMILES Cn1cc(\C=C\c2cc(nn2-c2cccc(Cl)c2)C2CCNCC2)c2cc(Cl)ccc12 Show InChI InChI=1S/C25H24Cl2N4/c1-30-16-18(23-14-20(27)6-8-25(23)30)5-7-22-15-24(17-9-11-28-12-10-17)29-31(22)21-4-2-3-19(26)13-21/h2-8,13-17,28H,9-12H2,1H3/b7-5+ | PDB
MMDB
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UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against supercoiling activity of DNA gyrase isolated from Escherichia coli |
Bioorg Med Chem Lett 15: 4299-303 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.103
BindingDB Entry DOI: 10.7270/Q2RJ4N7G |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50223597
(CHEMBL95777)Show SMILES Clc1cccc(c1)-n1nc(cc1\C=C\c1c[nH]c2ccc(Cl)cc12)C1CCNCC1 Show InChI InChI=1S/C24H22Cl2N4/c25-18-2-1-3-20(12-18)30-21(14-24(29-30)16-8-10-27-11-9-16)6-4-17-15-28-23-7-5-19(26)13-22(17)23/h1-7,12-16,27-28H,8-11H2/b6-4+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli DNA gyrase |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 4 subunit A
(Escherichia coli (strain K12)) | BDBM50223597
(CHEMBL95777)Show SMILES Clc1cccc(c1)-n1nc(cc1\C=C\c1c[nH]c2ccc(Cl)cc12)C1CCNCC1 Show InChI InChI=1S/C24H22Cl2N4/c25-18-2-1-3-20(12-18)30-21(14-24(29-30)16-8-10-27-11-9-16)6-4-17-15-28-23-7-5-19(26)13-22(17)23/h1-7,12-16,27-28H,8-11H2/b6-4+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against decatenation of DNA topoisomerase IV isolated from Escherichia coli |
Bioorg Med Chem Lett 15: 4299-303 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.103
BindingDB Entry DOI: 10.7270/Q2RJ4N7G |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50223597
(CHEMBL95777)Show SMILES Clc1cccc(c1)-n1nc(cc1\C=C\c1c[nH]c2ccc(Cl)cc12)C1CCNCC1 Show InChI InChI=1S/C24H22Cl2N4/c25-18-2-1-3-20(12-18)30-21(14-24(29-30)16-8-10-27-11-9-16)6-4-17-15-28-23-7-5-19(26)13-22(17)23/h1-7,12-16,27-28H,8-11H2/b6-4+ | PDB
MMDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Iinhibitory activity against Escherichia coli DNA gyrase |
J Med Chem 47: 3693-6 (2004)
Article DOI: 10.1021/jm030394f
BindingDB Entry DOI: 10.7270/Q2CN76N7 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50475386
(CHEMBL194702)Show SMILES Clc1ccc(COc2ccc(\C=C\c3cc([nH]n3)C3CCNCC3)cc2)cc1Cl Show InChI InChI=1S/C23H23Cl2N3O/c24-21-8-4-17(13-22(21)25)15-29-20-6-2-16(3-7-20)1-5-19-14-23(28-27-19)18-9-11-26-12-10-18/h1-8,13-14,18,26H,9-12,15H2,(H,27,28)/b5-1+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against supercoiling activity of DNA gyrase isolated from Escherichia coli |
Bioorg Med Chem Lett 15: 4299-303 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.103
BindingDB Entry DOI: 10.7270/Q2RJ4N7G |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 4 subunit A
(Escherichia coli (strain K12)) | BDBM50223617
(CHEMBL95778)Show SMILES Cn1cc(\C=C\c2cc(nn2-c2cccc(Cl)c2)C2CCNCC2)c2cc(Cl)ccc12 Show InChI InChI=1S/C25H24Cl2N4/c1-30-16-18(23-14-20(27)6-8-25(23)30)5-7-22-15-24(17-9-11-28-12-10-17)29-31(22)21-4-2-3-19(26)13-21/h2-8,13-17,28H,9-12H2,1H3/b7-5+ | PDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 3.54E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against decatenation of DNA topoisomerase IV isolated from Escherichia coli |
Bioorg Med Chem Lett 15: 4299-303 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.103
BindingDB Entry DOI: 10.7270/Q2RJ4N7G |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50223596
(CHEMBL97902)Show SMILES COC(=O)C1CCCN(Cc2n[nH]c3cccc(OCc4ccc(cc4)C(C)(C)C)c23)C1 Show InChI InChI=1S/C26H33N3O3/c1-26(2,3)20-12-10-18(11-13-20)17-32-23-9-5-8-21-24(23)22(28-27-21)16-29-14-6-7-19(15-29)25(30)31-4/h5,8-13,19H,6-7,14-17H2,1-4H3,(H,27,28) | PDB
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PC sid
UniChem
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| PubMed
| n/a | n/a | 3.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli DNA gyrase |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50223584
(CHEMBL316496)Show SMILES COC(=O)C1CCN(Cc2n[nH]c3cccc(OCc4ccc(cc4)C(C)(C)C)c23)CC1 Show InChI InChI=1S/C26H33N3O3/c1-26(2,3)20-10-8-18(9-11-20)17-32-23-7-5-6-21-24(23)22(28-27-21)16-29-14-12-19(13-15-29)25(30)31-4/h5-11,19H,12-17H2,1-4H3,(H,27,28) | PDB
MMDB
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| CHEMBL
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PC sid
UniChem
Patents
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| n/a | n/a | 3.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli DNA gyrase |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50223604
(CHEMBL95662)Show SMILES COC(=O)C1CCCC(C1)Nc1[nH]nc2cccc(OCc3ccc(F)c(F)c3)c12 Show InChI InChI=1S/C22H23F2N3O3/c1-29-22(28)14-4-2-5-15(11-14)25-21-20-18(26-27-21)6-3-7-19(20)30-12-13-8-9-16(23)17(24)10-13/h3,6-10,14-15H,2,4-5,11-12H2,1H3,(H2,25,26,27) | PDB
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UniChem
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| n/a | n/a | 3.85E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli DNA gyrase |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50223618
(CHEMBL97957)Show SMILES COC(=O)C1CCCC(C1)Nc1[nH]nc2cccc(OCc3ccc(Cl)cc3)c12 Show InChI InChI=1S/C22H24ClN3O3/c1-28-22(27)15-4-2-5-17(12-15)24-21-20-18(25-26-21)6-3-7-19(20)29-13-14-8-10-16(23)11-9-14/h3,6-11,15,17H,2,4-5,12-13H2,1H3,(H2,24,25,26) | PDB
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| n/a | n/a | 3.86E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli DNA gyrase |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50223616
(CHEMBL100214)Show SMILES CCOC(=O)CCCNc1[nH]nc2cccc(OCc3ccc(cc3)C(C)(C)C)c12 Show InChI InChI=1S/C24H31N3O3/c1-5-29-21(28)10-7-15-25-23-22-19(26-27-23)8-6-9-20(22)30-16-17-11-13-18(14-12-17)24(2,3)4/h6,8-9,11-14H,5,7,10,15-16H2,1-4H3,(H2,25,26,27) | PDB
MMDB
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PC sid
UniChem
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| n/a | n/a | 3.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli DNA gyrase |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50223623
(CHEMBL97171)Show SMILES COC(=O)C1CCCC(C1)NCc1cc(\C=C\c2ccc(Cl)c(Cl)c2)[nH]n1 Show InChI InChI=1S/C20H23Cl2N3O2/c1-27-20(26)14-3-2-4-15(10-14)23-12-17-11-16(24-25-17)7-5-13-6-8-18(21)19(22)9-13/h5-9,11,14-15,23H,2-4,10,12H2,1H3,(H,24,25)/b7-5+ | PDB
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| n/a | n/a | 3.91E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli DNA gyrase |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50223619
(CHEMBL97537)Show SMILES COC(=O)C1CCCC(C1)NCc1cc(\C=C/c2ccc(Cl)c(Cl)c2)[nH]n1 Show InChI InChI=1S/C20H23Cl2N3O2/c1-27-20(26)14-3-2-4-15(10-14)23-12-17-11-16(24-25-17)7-5-13-6-8-18(21)19(22)9-13/h5-9,11,14-15,23H,2-4,10,12H2,1H3,(H,24,25)/b7-5- | PDB
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| n/a | n/a | 3.91E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli DNA gyrase |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 4 subunit A
(Escherichia coli (strain K12)) | BDBM50475386
(CHEMBL194702)Show SMILES Clc1ccc(COc2ccc(\C=C\c3cc([nH]n3)C3CCNCC3)cc2)cc1Cl Show InChI InChI=1S/C23H23Cl2N3O/c24-21-8-4-17(13-22(21)25)15-29-20-6-2-16(3-7-20)1-5-19-14-23(28-27-19)18-9-11-26-12-10-18/h1-8,13-14,18,26H,9-12,15H2,(H,27,28)/b5-1+ | PDB
MMDB
KEGG
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.53E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against decatenation of DNA topoisomerase IV isolated from Escherichia coli |
Bioorg Med Chem Lett 15: 4299-303 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.103
BindingDB Entry DOI: 10.7270/Q2RJ4N7G |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50223611
(CHEMBL327525)Show SMILES CC(C)(C)c1ccc(COc2cccc3[nH]nc(CN[C@H]4CN[C@H](CO)C4)c23)cc1 Show InChI InChI=1S/C24H32N4O2/c1-24(2,3)17-9-7-16(8-10-17)15-30-22-6-4-5-20-23(22)21(28-27-20)13-26-18-11-19(14-29)25-12-18/h4-10,18-19,25-26,29H,11-15H2,1-3H3,(H,27,28)/t18-,19+/m1/s1 | PDB
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| n/a | n/a | 7.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli DNA gyrase |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50474677
(CHEMBL122665)Show SMILES Clc1cccc(c1)-n1nc(cc1-c1ccc2ccccc2c1)C1CCNCC1 Show InChI InChI=1S/C24H22ClN3/c25-21-6-3-7-22(15-21)28-24(16-23(27-28)18-10-12-26-13-11-18)20-9-8-17-4-1-2-5-19(17)14-20/h1-9,14-16,18,26H,10-13H2 | PDB
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| PC cid
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| Article
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| n/a | n/a | 8.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Iinhibitory activity against Escherichia coli DNA gyrase |
J Med Chem 47: 3693-6 (2004)
Article DOI: 10.1021/jm030394f
BindingDB Entry DOI: 10.7270/Q2CN76N7 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50223624
(CHEMBL95863)Show SMILES CC(C)(C)c1ccc(COc2cccc3[nH]nc(NCCCC(O)=O)c23)cc1 Show InChI InChI=1S/C22H27N3O3/c1-22(2,3)16-11-9-15(10-12-16)14-28-18-7-4-6-17-20(18)21(25-24-17)23-13-5-8-19(26)27/h4,6-7,9-12H,5,8,13-14H2,1-3H3,(H,26,27)(H2,23,24,25) | PDB
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Similars
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| n/a | n/a | 8.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli DNA gyrase |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50223626
(CHEMBL95898)Show SMILES COC(=O)C1CCCC(C1)Nc1[nH]nc2cccc(OCc3cnc(Cl)c(Cl)c3)c12 Show InChI InChI=1S/C21H22Cl2N4O3/c1-29-21(28)13-4-2-5-14(9-13)25-20-18-16(26-27-20)6-3-7-17(18)30-11-12-8-15(22)19(23)24-10-12/h3,6-8,10,13-14H,2,4-5,9,11H2,1H3,(H2,25,26,27) | PDB
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| n/a | n/a | 1.42E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli DNA gyrase |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50223625
(CHEMBL96971)Show SMILES CC(C)(C)c1ccc(COc2cccc3[nH]nc(CN[C@@H]4CN[C@H](CO)C4)c23)cc1 Show InChI InChI=1S/C24H32N4O2/c1-24(2,3)17-9-7-16(8-10-17)15-30-22-6-4-5-20-23(22)21(28-27-20)13-26-18-11-19(14-29)25-12-18/h4-10,18-19,25-26,29H,11-15H2,1-3H3,(H,27,28)/t18-,19-/m0/s1 | PDB
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| n/a | n/a | 1.56E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli DNA gyrase |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50223574
(CHEMBL98619)Show SMILES CC(C)(C)c1ccc(COc2cccc3[nH]nc(CN4CCNCC4)c23)cc1 Show InChI InChI=1S/C23H30N4O/c1-23(2,3)18-9-7-17(8-10-18)16-28-21-6-4-5-19-22(21)20(26-25-19)15-27-13-11-24-12-14-27/h4-10,24H,11-16H2,1-3H3,(H,25,26) | PDB
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| n/a | n/a | 1.69E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli DNA gyrase |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50223606
(CHEMBL329748)Show InChI InChI=1S/C20H25N3O/c1-20(2,3)15-10-8-14(9-11-15)13-24-18-7-5-6-16-19(18)17(12-21-4)23-22-16/h5-11,21H,12-13H2,1-4H3,(H,22,23) | PDB
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| n/a | n/a | 1.97E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli DNA gyrase |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50223588
(CHEMBL330372 | DNDI1417460)Show SMILES C(Oc1ccc(cc1)-c1cc([nH]n1)C1CCNCC1)c1ccccc1 Show InChI InChI=1S/C21H23N3O/c1-2-4-16(5-3-1)15-25-19-8-6-17(7-9-19)20-14-21(24-23-20)18-10-12-22-13-11-18/h1-9,14,18,22H,10-13,15H2,(H,23,24) | PDB
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| n/a | n/a | 3.83E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli DNA gyrase |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50223588
(CHEMBL330372 | DNDI1417460)Show SMILES C(Oc1ccc(cc1)-c1cc([nH]n1)C1CCNCC1)c1ccccc1 Show InChI InChI=1S/C21H23N3O/c1-2-4-16(5-3-1)15-25-19-8-6-17(7-9-19)20-14-21(24-23-20)18-10-12-22-13-11-18/h1-9,14,18,22H,10-13,15H2,(H,23,24) | PDB
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| n/a | n/a | >3.83E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Iinhibitory activity against Escherichia coli DNA gyrase |
J Med Chem 47: 3693-6 (2004)
Article DOI: 10.1021/jm030394f
BindingDB Entry DOI: 10.7270/Q2CN76N7 |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50223588
(CHEMBL330372 | DNDI1417460)Show SMILES C(Oc1ccc(cc1)-c1cc([nH]n1)C1CCNCC1)c1ccccc1 Show InChI InChI=1S/C21H23N3O/c1-2-4-16(5-3-1)15-25-19-8-6-17(7-9-19)20-14-21(24-23-20)18-10-12-22-13-11-18/h1-9,14,18,22H,10-13,15H2,(H,23,24) | PDB
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| n/a | n/a | 5.99E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against human DNA topoisomerase II |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50226181
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)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] |r| 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-/m1/s1 | PDB
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| n/a | n/a | >6.52E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against human DNA topoisomerase II |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50223579
(CHEMBL442194)Show SMILES Cc1cc(=O)oc2cc(CCc3n[nH]c4cccc(OCc5ccc(cc5)C(C)(C)C)c34)ccc12 Show InChI InChI=1S/C30H30N2O3/c1-19-16-28(33)35-27-17-20(10-14-23(19)27)11-15-25-29-24(31-32-25)6-5-7-26(29)34-18-21-8-12-22(13-9-21)30(2,3)4/h5-10,12-14,16-17H,11,15,18H2,1-4H3,(H,31,32) | PDB
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| n/a | n/a | >8.57E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against human DNA topoisomerase II |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50223589
(CHEMBL97620)Show SMILES COC(=O)C1CCCC(C1)NCc1n[nH]c2cccc(OCc3ccc(Cl)c(Cl)c3)c12 Show InChI InChI=1S/C23H25Cl2N3O3/c1-30-23(29)15-4-2-5-16(11-15)26-12-20-22-19(27-28-20)6-3-7-21(22)31-13-14-8-9-17(24)18(25)10-14/h3,6-10,15-16,26H,2,4-5,11-13H2,1H3,(H,27,28) | PDB
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| n/a | n/a | >8.65E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Human DNA topoisomerase II relaxation activity was determined |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50223617
(CHEMBL95778)Show SMILES Cn1cc(\C=C\c2cc(nn2-c2cccc(Cl)c2)C2CCNCC2)c2cc(Cl)ccc12 Show InChI InChI=1S/C25H24Cl2N4/c1-30-16-18(23-14-20(27)6-8-25(23)30)5-7-22-15-24(17-9-11-28-12-10-17)29-31(22)21-4-2-3-19(26)13-21/h2-8,13-17,28H,9-12H2,1H3/b7-5+ | PDB
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| n/a | n/a | >8.86E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Human DNA topoisomerase II relaxation activity was determined |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50223603
(CHEMBL95741)Show SMILES COC(=O)C1CCCC(C1)NCc1n[nH]c2cccc(OCc3ccc(cc3)C(C)(C)C)c12 Show InChI InChI=1S/C27H35N3O3/c1-27(2,3)20-13-11-18(12-14-20)17-33-24-10-6-9-22-25(24)23(30-29-22)16-28-21-8-5-7-19(15-21)26(31)32-4/h6,9-14,19,21,28H,5,7-8,15-17H2,1-4H3,(H,29,30) | PDB
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| n/a | n/a | >8.89E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Human DNA topoisomerase II relaxation activity was determined |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50223597
(CHEMBL95777)Show SMILES Clc1cccc(c1)-n1nc(cc1\C=C\c1c[nH]c2ccc(Cl)cc12)C1CCNCC1 Show InChI InChI=1S/C24H22Cl2N4/c25-18-2-1-3-20(12-18)30-21(14-24(29-30)16-8-10-27-11-9-16)6-4-17-15-28-23-7-5-19(26)13-22(17)23/h1-7,12-16,27-28H,8-11H2/b6-4+ | PDB
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| n/a | n/a | >9.14E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Human DNA topoisomerase II relaxation activity was determined |
Bioorg Med Chem Lett 14: 2857-62 (2004)
BindingDB Entry DOI: 10.7270/Q2HH6N85 |
More data for this
Ligand-Target Pair | |
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