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Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with Target = 'DNA gyrase subunit B' AND taxid = 83333   
Target
(Institution)
LigandTarget
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 Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330319
PNG
((3R,4S,5R,6S)-6-(8-chloro-4-hydroxy-3-(4-hydroxy-3...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4cc(C)c(O)c(C)c4)c(=O)oc3c2Cl)OC1(C)C
Show InChI InChI=1S/C32H33ClN2O11/c1-13-11-16(12-14(2)22(13)36)28(39)35-21-23(37)17-8-10-19(20(33)25(17)44-30(21)41)43-31-24(38)26(27(42-6)32(4,5)46-31)45-29(40)18-9-7-15(3)34-18/h7-12,24,26-27,31,34,36-38H,1-6H3,(H,35,39)/t24-,26+,27-,31-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330315
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES CCCc1cc(ccc1O)C(=O)Nc1c(O)c2ccc(O[C@@H]3OC(C)(C)[C@H](OC)[C@@H](OC(=O)c4ccc(C)[nH]4)[C@H]3O)c(C)c2oc1=O
Show InChI InChI=1S/C34H38N2O11/c1-7-8-18-15-19(10-13-22(18)37)30(40)36-24-25(38)20-11-14-23(17(3)27(20)45-32(24)42)44-33-26(39)28(29(43-6)34(4,5)47-33)46-31(41)21-12-9-16(2)35-21/h9-15,26,28-29,33,35,37-39H,7-8H2,1-6H3,(H,36,40)/t26-,28+,29-,33-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330314
PNG
((3R,4S,5R,6S)-6-(8-chloro-4-hydroxy-3-(4-(methylth...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(SC)cc4)c(=O)oc3c2Cl)OC1(C)C
Show InChI InChI=1S/C31H31ClN2O10S/c1-14-6-12-18(33-14)28(38)43-25-23(36)30(44-31(2,3)26(25)40-4)41-19-13-11-17-22(35)21(29(39)42-24(17)20(19)32)34-27(37)15-7-9-16(45-5)10-8-15/h6-13,23,25-26,30,33,35-36H,1-5H3,(H,34,37)/t23-,25+,26-,30-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330309
PNG
((3R,4S,5R,6S)-6-(8-chloro-4-hydroxy-3-(4-hydroxy-3...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(OC)c4)c(=O)oc3c2Cl)OC1(C)C
Show InChI InChI=1S/C31H31ClN2O12/c1-13-6-9-16(33-13)28(39)45-25-23(37)30(46-31(2,3)26(25)42-5)43-18-11-8-15-22(36)21(29(40)44-24(15)20(18)32)34-27(38)14-7-10-17(35)19(12-14)41-4/h6-12,23,25-26,30,33,35-37H,1-5H3,(H,34,38)/t23-,25+,26-,30-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330313
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(OC)c4)c(=O)oc3c2C)OC1(C)C
Show InChI InChI=1S/C32H34N2O12/c1-14-7-10-18(33-14)29(39)45-26-24(37)31(46-32(3,4)27(26)42-6)43-20-12-9-17-23(36)22(30(40)44-25(17)15(20)2)34-28(38)16-8-11-19(35)21(13-16)41-5/h7-13,24,26-27,31,33,35-37H,1-6H3,(H,34,38)/t24-,26+,27-,31-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330307
PNG
((3R,4S,5R,6S)-6-(8-chloro-3-((E)-3-(3-chloro-4-hyd...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)\C=C\c4ccc(O)c(Cl)c4)c(=O)oc3c2Cl)OC1(C)C
Show InChI InChI=1S/C32H30Cl2N2O11/c1-14-5-9-18(35-14)29(41)46-27-25(40)31(47-32(2,3)28(27)43-4)44-20-11-8-16-24(39)23(30(42)45-26(16)22(20)34)36-21(38)12-7-15-6-10-19(37)17(33)13-15/h5-13,25,27-28,31,35,37,39-40H,1-4H3,(H,36,38)/b12-7+/t25-,27+,28-,31-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330310
PNG
((3R,4S,5R,6R)-6-(3-(3-allyl-4-hydroxybenzamido)-4-...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C)c4)c(=O)oc3c2C)OC1(C)C
Show InChI InChI=1S/C34H36N2O11/c1-7-8-18-15-19(10-13-22(18)37)30(40)36-24-25(38)20-11-14-23(17(3)27(20)45-32(24)42)44-33-26(39)28(29(43-6)34(4,5)47-33)46-31(41)21-12-9-16(2)35-21/h7,9-15,26,28-29,33,35,37-39H,1,8H2,2-6H3,(H,36,40)/t26-,28+,29-,33-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330312
PNG
((3R,4S,5R,6S)-6-(8-chloro-3-cinnamamido-4-hydroxy-...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)\C=C\c4ccccc4)c(=O)oc3c2Cl)OC1(C)C
Show InChI InChI=1S/C32H31ClN2O10/c1-16-10-13-19(34-16)29(39)44-27-25(38)31(45-32(2,3)28(27)41-4)42-20-14-12-18-24(37)23(30(40)43-26(18)22(20)33)35-21(36)15-11-17-8-6-5-7-9-17/h5-15,25,27-28,31,34,37-38H,1-4H3,(H,35,36)/b15-11+/t25-,27+,28-,31-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330316
PNG
((3R,4S,5R,6S)-6-(8-chloro-4-hydroxy-3-(4-hydroxy-3...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(NC(=O)C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C
Show InChI InChI=1S/C34H36ClN3O12/c1-14(2)29(42)37-19-13-16(8-11-20(19)39)30(43)38-23-24(40)17-9-12-21(22(35)26(17)48-32(23)45)47-33-25(41)27(28(46-6)34(4,5)50-33)49-31(44)18-10-7-15(3)36-18/h7-14,25,27-28,33,36,39-41H,1-6H3,(H,37,42)(H,38,43)/t25-,27+,28-,33-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330302
PNG
((3R,4S,5R,6S)-6-(8-chloro-4-hydroxy-3-((E)-3-(4-hy...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)\C=C\c4ccc(O)c(OC)c4)c(=O)oc3c2Cl)OC1(C)C
Show InChI InChI=1S/C33H33ClN2O12/c1-15-6-10-18(35-15)30(41)47-28-26(40)32(48-33(2,3)29(28)44-5)45-20-12-9-17-25(39)24(31(42)46-27(17)23(20)34)36-22(38)13-8-16-7-11-19(37)21(14-16)43-4/h6-14,26,28-29,32,35,37,39-40H,1-5H3,(H,36,38)/b13-8+/t26-,28+,29-,32-/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330306
PNG
((3R,4S,5R,6R)-6-(3-(4-amino-3-methylbenzamido)-4-h...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(N)c(C)c4)c(=O)oc3c2C)OC1(C)C
Show InChI InChI=1S/C32H35N3O10/c1-14-13-17(8-10-19(14)33)28(38)35-22-23(36)18-9-12-21(16(3)25(18)43-30(22)40)42-31-24(37)26(27(41-6)32(4,5)45-31)44-29(39)20-11-7-15(2)34-20/h7-13,24,26-27,31,34,36-37H,33H2,1-6H3,(H,35,38)/t24-,26+,27-,31-/m1/s1
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n/an/a 44n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330304
PNG
((3R,4S,5R,6R)-6-(3-benzamido-4-hydroxy-2-oxo-2H-ch...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccccc4)c(=O)oc3c2)OC1(C)C
Show InChI InChI=1S/C30H30N2O10/c1-15-10-13-19(31-15)27(36)41-24-23(34)29(42-30(2,3)25(24)38-4)39-17-11-12-18-20(14-17)40-28(37)21(22(18)33)32-26(35)16-8-6-5-7-9-16/h5-14,23-25,29,31,33-34H,1-4H3,(H,32,35)/t23-,24+,25-,29-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330319
PNG
((3R,4S,5R,6S)-6-(8-chloro-4-hydroxy-3-(4-hydroxy-3...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4cc(C)c(O)c(C)c4)c(=O)oc3c2Cl)OC1(C)C
Show InChI InChI=1S/C32H33ClN2O11/c1-13-11-16(12-14(2)22(13)36)28(39)35-21-23(37)17-8-10-19(20(33)25(17)44-30(21)41)43-31-24(38)26(27(42-6)32(4,5)46-31)45-29(40)18-9-7-15(3)34-18/h7-12,24,26-27,31,34,36-38H,1-6H3,(H,35,39)/t24-,26+,27-,31-/m1/s1
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n/an/a 65n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330318
PNG
((3R,4S,5R,6S)-6-(3-benzamido-8-chloro-4-hydroxy-2-...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccccc4)c(=O)oc3c2Cl)OC1(C)C
Show InChI InChI=1S/C30H29ClN2O10/c1-14-10-12-17(32-14)27(37)42-24-22(35)29(43-30(2,3)25(24)39-4)40-18-13-11-16-21(34)20(28(38)41-23(16)19(18)31)33-26(36)15-8-6-5-7-9-15/h5-13,22,24-25,29,32,34-35H,1-4H3,(H,33,36)/t22-,24+,25-,29-/m1/s1
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n/an/a 72n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330317
PNG
(5-Methyl-1H-pyrrole-2-carboxylic acid (3R,4S,5R,6S...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C
Show InChI InChI=1S/C35H37ClN2O11/c1-16(2)7-9-18-15-19(10-13-22(18)39)31(42)38-25-26(40)20-11-14-23(24(36)28(20)47-33(25)44)46-34-27(41)29(30(45-6)35(4,5)49-34)48-32(43)21-12-8-17(3)37-21/h7-8,10-15,27,29-30,34,37,39-41H,9H2,1-6H3,(H,38,42)/t27-,29+,30-,34-/m1/s1
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n/an/a 73n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330316
PNG
((3R,4S,5R,6S)-6-(8-chloro-4-hydroxy-3-(4-hydroxy-3...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(NC(=O)C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C
Show InChI InChI=1S/C34H36ClN3O12/c1-14(2)29(42)37-19-13-16(8-11-20(19)39)30(43)38-23-24(40)17-9-12-21(22(35)26(17)48-32(23)45)47-33-25(41)27(28(46-6)34(4,5)50-33)49-31(44)18-10-7-15(3)36-18/h7-14,25,27-28,33,36,39-41H,1-6H3,(H,37,42)(H,38,43)/t25-,27+,28-,33-/m1/s1
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n/an/a 73n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330305
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(OC)c4)c(=O)oc3c2)OC1(C)C
Show InChI InChI=1S/C31H32N2O12/c1-14-6-10-18(32-14)28(38)44-25-24(36)30(45-31(2,3)26(25)41-5)42-16-8-9-17-20(13-16)43-29(39)22(23(17)35)33-27(37)15-7-11-19(34)21(12-15)40-4/h6-13,24-26,30,32,34-36H,1-5H3,(H,33,37)/t24-,25+,26-,30-/m1/s1
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n/an/a 75n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330314
PNG
((3R,4S,5R,6S)-6-(8-chloro-4-hydroxy-3-(4-(methylth...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(SC)cc4)c(=O)oc3c2Cl)OC1(C)C
Show InChI InChI=1S/C31H31ClN2O10S/c1-14-6-12-18(33-14)28(38)43-25-23(36)30(44-31(2,3)26(25)40-4)41-19-13-11-17-22(35)21(29(39)42-24(17)20(19)32)34-27(37)15-7-9-16(45-5)10-8-15/h6-13,23,25-26,30,33,35-36H,1-5H3,(H,34,37)/t23-,25+,26-,30-/m1/s1
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n/an/a 84n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330315
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES CCCc1cc(ccc1O)C(=O)Nc1c(O)c2ccc(O[C@@H]3OC(C)(C)[C@H](OC)[C@@H](OC(=O)c4ccc(C)[nH]4)[C@H]3O)c(C)c2oc1=O
Show InChI InChI=1S/C34H38N2O11/c1-7-8-18-15-19(10-13-22(18)37)30(40)36-24-25(38)20-11-14-23(17(3)27(20)45-32(24)42)44-33-26(39)28(29(43-6)34(4,5)47-33)46-31(41)21-12-9-16(2)35-21/h9-15,26,28-29,33,35,37-39H,7-8H2,1-6H3,(H,36,40)/t26-,28+,29-,33-/m1/s1
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n/an/a 84n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330313
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(OC)c4)c(=O)oc3c2C)OC1(C)C
Show InChI InChI=1S/C32H34N2O12/c1-14-7-10-18(33-14)29(39)45-26-24(37)31(46-32(3,4)27(26)42-6)43-20-12-9-17-23(36)22(30(40)44-25(17)15(20)2)34-28(38)16-8-11-19(35)21(13-16)41-5/h7-13,24,26-27,31,33,35-37H,1-6H3,(H,34,38)/t24-,26+,27-,31-/m1/s1
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n/an/a 86n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330312
PNG
((3R,4S,5R,6S)-6-(8-chloro-3-cinnamamido-4-hydroxy-...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)\C=C\c4ccccc4)c(=O)oc3c2Cl)OC1(C)C
Show InChI InChI=1S/C32H31ClN2O10/c1-16-10-13-19(34-16)29(39)44-27-25(38)31(45-32(2,3)28(27)41-4)42-20-14-12-18-24(37)23(30(40)43-26(18)22(20)33)35-21(36)15-11-17-8-6-5-7-9-17/h5-15,25,27-28,31,34,37-38H,1-4H3,(H,35,36)/b15-11+/t25-,27+,28-,31-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330311
PNG
((3R,4S,5R,6R)-6-(3-cinnamamido-4-hydroxy-8-methyl-...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)\C=C\c4ccccc4)c(=O)oc3c2C)OC1(C)C
Show InChI InChI=1S/C33H34N2O10/c1-17-11-14-21(34-17)30(39)44-28-26(38)32(45-33(3,4)29(28)41-5)42-22-15-13-20-25(37)24(31(40)43-27(20)18(22)2)35-23(36)16-12-19-9-7-6-8-10-19/h6-16,26,28-29,32,34,37-38H,1-5H3,(H,35,36)/b16-12+/t26-,28+,29-,32-/m1/s1
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n/an/a 106n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330299
PNG
((2S,3R,4R,5R)-2-(3-benzamido-8-chloro-4-hydroxy-2-...)
Show SMILES CO[C@@H]1[C@@H](O)[C@@H](OC(=O)c2ccc(C)[nH]2)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccccc4)c(=O)oc3c2Cl)OC1(C)C
Show InChI InChI=1S/C30H29ClN2O10/c1-14-10-12-17(32-14)27(37)42-24-22(35)25(39-4)30(2,3)43-29(24)40-18-13-11-16-21(34)20(28(38)41-23(16)19(18)31)33-26(36)15-8-6-5-7-9-15/h5-13,22,24-25,29,32,34-35H,1-4H3,(H,33,36)/t22-,24+,25+,29+/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330310
PNG
((3R,4S,5R,6R)-6-(3-(3-allyl-4-hydroxybenzamido)-4-...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C)c4)c(=O)oc3c2C)OC1(C)C
Show InChI InChI=1S/C34H36N2O11/c1-7-8-18-15-19(10-13-22(18)37)30(40)36-24-25(38)20-11-14-23(17(3)27(20)45-32(24)42)44-33-26(39)28(29(43-6)34(4,5)47-33)46-31(41)21-12-9-16(2)35-21/h7,9-15,26,28-29,33,35,37-39H,1,8H2,2-6H3,(H,36,40)/t26-,28+,29-,33-/m1/s1
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n/an/a 116n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330303
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4cc(C)c(O)c(C)c4)c(=O)oc3c2)OC1(C)C
Show InChI InChI=1S/C32H34N2O11/c1-14-11-17(12-15(2)23(14)35)28(38)34-22-24(36)19-9-8-18(13-21(19)43-30(22)40)42-31-25(37)26(27(41-6)32(4,5)45-31)44-29(39)20-10-7-16(3)33-20/h7-13,25-27,31,33,35-37H,1-6H3,(H,34,38)/t25-,26+,27-,31-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330309
PNG
((3R,4S,5R,6S)-6-(8-chloro-4-hydroxy-3-(4-hydroxy-3...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(OC)c4)c(=O)oc3c2Cl)OC1(C)C
Show InChI InChI=1S/C31H31ClN2O12/c1-13-6-9-16(33-13)28(39)45-25-23(37)30(46-31(2,3)26(25)42-5)43-18-11-8-15-22(36)21(29(40)44-24(15)20(18)32)34-27(38)14-7-10-17(35)19(12-14)41-4/h6-12,23,25-26,30,33,35-37H,1-5H3,(H,34,38)/t23-,25+,26-,30-/m1/s1
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n/an/a 122n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330308
PNG
((3R,4S,5R,6R)-6-(3-benzamido-4-hydroxy-8-methyl-2-...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccccc4)c(=O)oc3c2C)OC1(C)C
Show InChI InChI=1S/C31H32N2O10/c1-15-11-13-19(32-15)28(37)42-25-23(35)30(43-31(3,4)26(25)39-5)40-20-14-12-18-22(34)21(29(38)41-24(18)16(20)2)33-27(36)17-9-7-6-8-10-17/h6-14,23,25-26,30,32,34-35H,1-5H3,(H,33,36)/t23-,25+,26-,30-/m1/s1
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n/an/a 131n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330307
PNG
((3R,4S,5R,6S)-6-(8-chloro-3-((E)-3-(3-chloro-4-hyd...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)\C=C\c4ccc(O)c(Cl)c4)c(=O)oc3c2Cl)OC1(C)C
Show InChI InChI=1S/C32H30Cl2N2O11/c1-14-5-9-18(35-14)29(41)46-27-25(40)31(47-32(2,3)28(27)43-4)44-20-11-8-16-24(39)23(30(42)45-26(16)22(20)34)36-21(38)12-7-15-6-10-19(37)17(33)13-15/h5-13,25,27-28,31,35,37,39-40H,1-4H3,(H,36,38)/b12-7+/t25-,27+,28-,31-/m1/s1
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n/an/a 137n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330295
PNG
((2R,3R,4R,5R)-4-hydroxy-2-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES CCCc1cc(ccc1O)C(=O)Nc1c(O)c2ccc(O[C@@H]3OC(C)(C)[C@H](OC)[C@@H](O)[C@H]3OC(=O)c3ccc(C)[nH]3)c(C)c2oc1=O
Show InChI InChI=1S/C34H38N2O11/c1-7-8-18-15-19(10-13-22(18)37)30(40)36-24-25(38)20-11-14-23(17(3)27(20)45-32(24)42)44-33-28(26(39)29(43-6)34(4,5)47-33)46-31(41)21-12-9-16(2)35-21/h9-15,26,28-29,33,35,37-39H,7-8H2,1-6H3,(H,36,40)/t26-,28+,29+,33+/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330306
PNG
((3R,4S,5R,6R)-6-(3-(4-amino-3-methylbenzamido)-4-h...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(N)c(C)c4)c(=O)oc3c2C)OC1(C)C
Show InChI InChI=1S/C32H35N3O10/c1-14-13-17(8-10-19(14)33)28(38)35-22-23(36)18-9-12-21(16(3)25(18)43-30(22)40)42-31-24(37)26(27(41-6)32(4,5)45-31)44-29(39)20-11-7-15(2)34-20/h7-13,24,26-27,31,34,36-37H,33H2,1-6H3,(H,35,38)/t24-,26+,27-,31-/m1/s1
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n/an/a 152n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50423645
PNG
(Albamycin | Cathomycin | NOVOBIOCIN)
Show SMILES CO[C@@H]1[C@@H](OC(N)=O)[C@H](O)[C@@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C
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 154n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330305
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(OC)c4)c(=O)oc3c2)OC1(C)C
Show InChI InChI=1S/C31H32N2O12/c1-14-6-10-18(32-14)28(38)44-25-24(36)30(45-31(2,3)26(25)41-5)42-16-8-9-17-20(13-16)43-29(39)22(23(17)35)33-27(37)15-7-11-19(34)21(12-15)40-4/h6-13,24-26,30,32,34-36H,1-5H3,(H,33,37)/t24-,25+,26-,30-/m1/s1
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n/an/a 185n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330294
PNG
((2R,3R,4R,5R)-2-(3-(4-amino-3-methylbenzamido)-4-h...)
Show SMILES CO[C@@H]1[C@@H](O)[C@@H](OC(=O)c2ccc(C)[nH]2)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(N)c(C)c4)c(=O)oc3c2C)OC1(C)C
Show InChI InChI=1S/C32H35N3O10/c1-14-13-17(8-10-19(14)33)28(38)35-22-23(36)18-9-12-21(16(3)25(18)43-30(22)40)42-31-26(24(37)27(41-6)32(4,5)45-31)44-29(39)20-11-7-15(2)34-20/h7-13,24,26-27,31,34,36-37H,33H2,1-6H3,(H,35,38)/t24-,26+,27+,31+/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50423645
PNG
(Albamycin | Cathomycin | NOVOBIOCIN)
Show SMILES CO[C@@H]1[C@@H](OC(N)=O)[C@H](O)[C@@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C
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 200n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330304
PNG
((3R,4S,5R,6R)-6-(3-benzamido-4-hydroxy-2-oxo-2H-ch...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccccc4)c(=O)oc3c2)OC1(C)C
Show InChI InChI=1S/C30H30N2O10/c1-15-10-13-19(31-15)27(36)41-24-23(34)29(42-30(2,3)25(24)38-4)39-17-11-12-18-20(14-17)40-28(37)21(22(18)33)32-26(35)16-8-6-5-7-9-16/h5-14,23-25,29,31,33-34H,1-4H3,(H,32,35)/t23-,24+,25-,29-/m1/s1
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n/an/a 219n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330303
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4cc(C)c(O)c(C)c4)c(=O)oc3c2)OC1(C)C
Show InChI InChI=1S/C32H34N2O11/c1-14-11-17(12-15(2)23(14)35)28(38)34-22-24(36)19-9-8-18(13-21(19)43-30(22)40)42-31-25(37)26(27(41-6)32(4,5)45-31)44-29(39)20-10-7-16(3)33-20/h7-13,25-27,31,33,35-37H,1-6H3,(H,34,38)/t25-,26+,27-,31-/m1/s1
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n/an/a 229n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330302
PNG
((3R,4S,5R,6S)-6-(8-chloro-4-hydroxy-3-((E)-3-(4-hy...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)\C=C\c4ccc(O)c(OC)c4)c(=O)oc3c2Cl)OC1(C)C
Show InChI InChI=1S/C33H33ClN2O12/c1-15-6-10-18(35-15)30(41)47-28-26(40)32(48-33(2,3)29(28)44-5)45-20-12-9-17-25(39)24(31(42)46-27(17)23(20)34)36-22(38)13-8-16-7-11-19(37)21(14-16)43-4/h6-14,26,28-29,32,35,37,39-40H,1-5H3,(H,36,38)/b13-8+/t26-,28+,29-,32-/m1/s1
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n/an/a 263n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330301
PNG
((3R,4S,5R,6R)-6-(3-((E)-3-(3-chloro-4-hydroxypheny...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)\C=C\c4ccc(O)c(Cl)c4)c(=O)oc3c2)OC1(C)C
Show InChI InChI=1S/C32H31ClN2O11/c1-15-5-10-20(34-15)29(40)45-27-26(39)31(46-32(2,3)28(27)42-4)43-17-8-9-18-22(14-17)44-30(41)24(25(18)38)35-23(37)12-7-16-6-11-21(36)19(33)13-16/h5-14,26-28,31,34,36,38-39H,1-4H3,(H,35,37)/b12-7+/t26-,27+,28-,31-/m1/s1
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n/an/a 276n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330300
PNG
((2S,3R,4R,5R)-2-(8-chloro-4-hydroxy-3-(4-(methylth...)
Show SMILES CO[C@@H]1[C@@H](O)[C@@H](OC(=O)c2ccc(C)[nH]2)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(SC)cc4)c(=O)oc3c2Cl)OC1(C)C
Show InChI InChI=1S/C31H31ClN2O10S/c1-14-6-12-18(33-14)28(38)43-25-23(36)26(40-4)31(2,3)44-30(25)41-19-13-11-17-22(35)21(29(39)42-24(17)20(19)32)34-27(37)15-7-9-16(45-5)10-8-15/h6-13,23,25-26,30,33,35-36H,1-5H3,(H,34,37)/t23-,25+,26+,30+/m0/s1
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n/an/a 280n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330301
PNG
((3R,4S,5R,6R)-6-(3-((E)-3-(3-chloro-4-hydroxypheny...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)\C=C\c4ccc(O)c(Cl)c4)c(=O)oc3c2)OC1(C)C
Show InChI InChI=1S/C32H31ClN2O11/c1-15-5-10-20(34-15)29(40)45-27-26(39)31(46-32(2,3)28(27)42-4)43-17-8-9-18-22(14-17)44-30(41)24(25(18)38)35-23(37)12-7-16-6-11-21(36)19(33)13-16/h5-14,26-28,31,34,36,38-39H,1-4H3,(H,35,37)/b12-7+/t26-,27+,28-,31-/m1/s1
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n/an/a 280n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330299
PNG
((2S,3R,4R,5R)-2-(3-benzamido-8-chloro-4-hydroxy-2-...)
Show SMILES CO[C@@H]1[C@@H](O)[C@@H](OC(=O)c2ccc(C)[nH]2)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccccc4)c(=O)oc3c2Cl)OC1(C)C
Show InChI InChI=1S/C30H29ClN2O10/c1-14-10-12-17(32-14)27(37)42-24-22(35)25(39-4)30(2,3)43-29(24)40-18-13-11-16-21(34)20(28(38)41-23(16)19(18)31)33-26(36)15-8-6-5-7-9-15/h5-13,22,24-25,29,32,34-35H,1-4H3,(H,33,36)/t22-,24+,25+,29+/m0/s1
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n/an/a 297n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330298
PNG
((2S,3R,4R,5R)-2-(8-chloro-4-hydroxy-3-(4-hydroxy-3...)
Show SMILES CO[C@@H]1[C@@H](O)[C@@H](OC(=O)c2ccc(C)[nH]2)[C@H](Oc2ccc3c(O)c(NC(=O)c4cc(C)c(O)c(C)c4)c(=O)oc3c2Cl)OC1(C)C
Show InChI InChI=1S/C32H33ClN2O11/c1-13-11-16(12-14(2)22(13)36)28(39)35-21-23(37)17-8-10-19(20(33)25(17)44-30(21)41)43-31-26(24(38)27(42-6)32(4,5)46-31)45-29(40)18-9-7-15(3)34-18/h7-12,24,26-27,31,34,36-38H,1-6H3,(H,35,39)/t24-,26+,27+,31+/m0/s1
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n/an/a 320n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330298
PNG
((2S,3R,4R,5R)-2-(8-chloro-4-hydroxy-3-(4-hydroxy-3...)
Show SMILES CO[C@@H]1[C@@H](O)[C@@H](OC(=O)c2ccc(C)[nH]2)[C@H](Oc2ccc3c(O)c(NC(=O)c4cc(C)c(O)c(C)c4)c(=O)oc3c2Cl)OC1(C)C
Show InChI InChI=1S/C32H33ClN2O11/c1-13-11-16(12-14(2)22(13)36)28(39)35-21-23(37)17-8-10-19(20(33)25(17)44-30(21)41)43-31-26(24(38)27(42-6)32(4,5)46-31)45-29(40)18-9-7-15(3)34-18/h7-12,24,26-27,31,34,36-38H,1-6H3,(H,35,39)/t24-,26+,27+,31+/m0/s1
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n/an/a 376n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330292
PNG
((2R,3R,4R,5R)-2-(3-(3-allyl-4-hydroxybenzamido)-4-...)
Show SMILES CO[C@@H]1[C@@H](O)[C@@H](OC(=O)c2ccc(C)[nH]2)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C)c4)c(=O)oc3c2C)OC1(C)C
Show InChI InChI=1S/C34H36N2O11/c1-7-8-18-15-19(10-13-22(18)37)30(40)36-24-25(38)20-11-14-23(17(3)27(20)45-32(24)42)44-33-28(26(39)29(43-6)34(4,5)47-33)46-31(41)21-12-9-16(2)35-21/h7,9-15,26,28-29,33,35,37-39H,1,8H2,2-6H3,(H,36,40)/t26-,28+,29+,33+/m0/s1
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n/an/a 460n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330293
PNG
((2S,3R,4R,5R)-2-(8-chloro-4-hydroxy-3-(4-hydroxy-3...)
Show SMILES CO[C@@H]1[C@@H](O)[C@@H](OC(=O)c2ccc(C)[nH]2)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(OC)c4)c(=O)oc3c2Cl)OC1(C)C
Show InChI InChI=1S/C31H31ClN2O12/c1-13-6-9-16(33-13)28(39)45-25-23(37)26(42-5)31(2,3)46-30(25)43-18-11-8-15-22(36)21(29(40)44-24(15)20(18)32)34-27(38)14-7-10-17(35)19(12-14)41-4/h6-12,23,25-26,30,33,35-37H,1-5H3,(H,34,38)/t23-,25+,26+,30+/m0/s1
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n/an/a 460n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330297
PNG
((2S,3R,4R,5R)-2-(8-chloro-3-cinnamamido-4-hydroxy-...)
Show SMILES CO[C@@H]1[C@@H](O)[C@@H](OC(=O)c2ccc(C)[nH]2)[C@H](Oc2ccc3c(O)c(NC(=O)\C=C\c4ccccc4)c(=O)oc3c2Cl)OC1(C)C
Show InChI InChI=1S/C32H31ClN2O10/c1-16-10-13-19(34-16)29(39)44-27-25(38)28(41-4)32(2,3)45-31(27)42-20-14-12-18-24(37)23(30(40)43-26(18)22(20)33)35-21(36)15-11-17-8-6-5-7-9-17/h5-15,25,27-28,31,34,37-38H,1-4H3,(H,35,36)/b15-11+/t25-,27+,28+,31+/m0/s1
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n/an/a 598n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330295
PNG
((2R,3R,4R,5R)-4-hydroxy-2-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES CCCc1cc(ccc1O)C(=O)Nc1c(O)c2ccc(O[C@@H]3OC(C)(C)[C@H](OC)[C@@H](O)[C@H]3OC(=O)c3ccc(C)[nH]3)c(C)c2oc1=O
Show InChI InChI=1S/C34H38N2O11/c1-7-8-18-15-19(10-13-22(18)37)30(40)36-24-25(38)20-11-14-23(17(3)27(20)45-32(24)42)44-33-28(26(39)29(43-6)34(4,5)47-33)46-31(41)21-12-9-16(2)35-21/h9-15,26,28-29,33,35,37-39H,7-8H2,1-6H3,(H,36,40)/t26-,28+,29+,33+/m0/s1
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n/an/a 758n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330294
PNG
((2R,3R,4R,5R)-2-(3-(4-amino-3-methylbenzamido)-4-h...)
Show SMILES CO[C@@H]1[C@@H](O)[C@@H](OC(=O)c2ccc(C)[nH]2)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(N)c(C)c4)c(=O)oc3c2C)OC1(C)C
Show InChI InChI=1S/C32H35N3O10/c1-14-13-17(8-10-19(14)33)28(38)35-22-23(36)18-9-12-21(16(3)25(18)43-30(22)40)42-31-26(24(37)27(41-6)32(4,5)45-31)44-29(39)20-11-7-15(2)34-20/h7-13,24,26-27,31,34,36-37H,33H2,1-6H3,(H,35,38)/t24-,26+,27+,31+/m0/s1
PDB
MMDB

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AffyNet 
Article
PubMed
n/an/a 784n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330293
PNG
((2S,3R,4R,5R)-2-(8-chloro-4-hydroxy-3-(4-hydroxy-3...)
Show SMILES CO[C@@H]1[C@@H](O)[C@@H](OC(=O)c2ccc(C)[nH]2)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(OC)c4)c(=O)oc3c2Cl)OC1(C)C
Show InChI InChI=1S/C31H31ClN2O12/c1-13-6-9-16(33-13)28(39)45-25-23(37)26(42-5)31(2,3)46-30(25)43-18-11-8-15-22(36)21(29(40)44-24(15)20(18)32)34-27(38)14-7-10-17(35)19(12-14)41-4/h6-12,23,25-26,30,33,35-37H,1-5H3,(H,34,38)/t23-,25+,26+,30+/m0/s1
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UniChem

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AffyNet 
Article
PubMed
n/an/a 891n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Escherichia coli (strain K12))
BDBM50330297
PNG
((2S,3R,4R,5R)-2-(8-chloro-3-cinnamamido-4-hydroxy-...)
Show SMILES CO[C@@H]1[C@@H](O)[C@@H](OC(=O)c2ccc(C)[nH]2)[C@H](Oc2ccc3c(O)c(NC(=O)\C=C\c4ccccc4)c(=O)oc3c2Cl)OC1(C)C
Show InChI InChI=1S/C32H31ClN2O10/c1-16-10-13-19(34-16)29(39)44-27-25(38)28(41-4)32(2,3)45-31(27)42-20-14-12-18-24(37)23(30(40)43-26(18)22(20)33)35-21(36)15-11-17-8-6-5-7-9-17/h5-15,25,27-28,31,34,37-38H,1-4H3,(H,35,36)/b15-11+/t25-,27+,28+,31+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay


Antimicrob Agents Chemother 52: 1982-90 (2008)

More data for this
Ligand-Target Pair
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