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Compile Data Set for Download or QSAR

Found 111 hits with Last Name = 'soni' and Initial = 'v'   
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 gyrase subunit A/B


(Staphylococcus aureus)
BDBM50226181
PNG
((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
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n/an/a 30n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50226181
PNG
((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
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n/an/a 125n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATPase activity


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA gyrase subunit B


(Mycobacterium smegmatis)
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 200n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis GyrB ATPase activity expressed in Escherichia coli BL21 (DE3) after 2 hrs


Eur J Med Chem 70: 143-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.025
BindingDB Entry DOI: 10.7270/Q2T72JWH
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50497467
PNG
(CHEMBL3344011)
Show SMILES OC(=O)CCCC(=O)Nc1ccc(cc1)-c1nc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C18H16FN3O3/c19-12-6-9-14-15(10-12)22-18(21-14)11-4-7-13(8-5-11)20-16(23)2-1-3-17(24)25/h4-10H,1-3H2,(H,20,23)(H,21,22)(H,24,25)
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n/an/a 1.13E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50497467
PNG
(CHEMBL3344011)
Show SMILES OC(=O)CCCC(=O)Nc1ccc(cc1)-c1nc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C18H16FN3O3/c19-12-6-9-14-15(10-12)22-18(21-14)11-4-7-13(8-5-11)20-16(23)2-1-3-17(24)25/h4-10H,1-3H2,(H,20,23)(H,21,22)(H,24,25)
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n/an/a 1.32E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATPase activity


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50497516
PNG
(CHEMBL3344044)
Show SMILES OC(=O)CSCC(=O)Nc1ccc(cc1)-c1nc2cccnc2[nH]1
Show InChI InChI=1S/C16H14N4O3S/c21-13(8-24-9-14(22)23)18-11-5-3-10(4-6-11)15-19-12-2-1-7-17-16(12)20-15/h1-7H,8-9H2,(H,18,21)(H,22,23)(H,17,19,20)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50497491
PNG
(CHEMBL3341781)
Show SMILES OC(=O)CSCC(=O)Nc1ccc(cc1)-c1nc2cc(ccc2[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C17H14N4O5S/c22-15(8-27-9-16(23)24)18-11-3-1-10(2-4-11)17-19-13-6-5-12(21(25)26)7-14(13)20-17/h1-7H,8-9H2,(H,18,22)(H,19,20)(H,23,24)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50497507
PNG
(CHEMBL3344033)
Show SMILES OC(=O)CCCCC(=O)Nc1ccc(cc1)-c1nc2cccnc2[nH]1
Show InChI InChI=1S/C18H18N4O3/c23-15(5-1-2-6-16(24)25)20-13-9-7-12(8-10-13)17-21-14-4-3-11-19-18(14)22-17/h3-4,7-11H,1-2,5-6H2,(H,20,23)(H,24,25)(H,19,21,22)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50497480
PNG
(CHEMBL3344019)
Show SMILES OC(=O)CC(=O)Nc1ccc(cc1)-c1nc2cc(ccc2[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C16H12N4O5/c21-14(8-15(22)23)17-10-3-1-9(2-4-10)16-18-12-6-5-11(20(24)25)7-13(12)19-16/h1-7H,8H2,(H,17,21)(H,18,19)(H,22,23)
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n/an/a 2.23E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50497516
PNG
(CHEMBL3344044)
Show SMILES OC(=O)CSCC(=O)Nc1ccc(cc1)-c1nc2cccnc2[nH]1
Show InChI InChI=1S/C16H14N4O3S/c21-13(8-24-9-14(22)23)18-11-5-3-10(4-6-11)15-19-12-2-1-7-17-16(12)20-15/h1-7H,8-9H2,(H,18,21)(H,22,23)(H,17,19,20)
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n/an/a 2.31E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATPase activity


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50497488
PNG
(CHEMBL3344036)
Show SMILES OC(=O)COCC(=O)Nc1ccc(cc1)-c1nc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C17H14FN3O4/c18-11-3-6-13-14(7-11)21-17(20-13)10-1-4-12(5-2-10)19-15(22)8-25-9-16(23)24/h1-7H,8-9H2,(H,19,22)(H,20,21)(H,23,24)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50497507
PNG
(CHEMBL3344033)
Show SMILES OC(=O)CCCCC(=O)Nc1ccc(cc1)-c1nc2cccnc2[nH]1
Show InChI InChI=1S/C18H18N4O3/c23-15(5-1-2-6-16(24)25)20-13-9-7-12(8-10-13)17-21-14-4-3-11-19-18(14)22-17/h3-4,7-11H,1-2,5-6H2,(H,20,23)(H,24,25)(H,19,21,22)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATPase activity


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50497494
PNG
(CHEMBL3344000)
Show SMILES OC(=O)CCCC(=O)Nc1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H17N3O3/c22-16(6-3-7-17(23)24)19-13-10-8-12(9-11-13)18-20-14-4-1-2-5-15(14)21-18/h1-2,4-5,8-11H,3,6-7H2,(H,19,22)(H,20,21)(H,23,24)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50497511
PNG
(CHEMBL3344041)
Show SMILES COc1ccc2[nH]c(nc2c1)-c1ccc(NC(=O)COCC(O)=O)cc1
Show InChI InChI=1S/C18H17N3O5/c1-25-13-6-7-14-15(8-13)21-18(20-14)11-2-4-12(5-3-11)19-16(22)9-26-10-17(23)24/h2-8H,9-10H2,1H3,(H,19,22)(H,20,21)(H,23,24)
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n/an/a 3.06E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM166646
PNG
(4-((4-(furan-2-carboxamido)phenyl)amino)-4-oxobuta...)
Show SMILES OC(=O)CCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1
Show InChI InChI=1S/C15H14N2O5/c18-13(7-8-14(19)20)16-10-3-5-11(6-4-10)17-15(21)12-2-1-9-22-12/h1-6,9H,7-8H2,(H,16,18)(H,17,21)(H,19,20)
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n/an/a 3.13E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50497493
PNG
(CHEMBL3343999)
Show SMILES Cc1cc2ncn(CC(O)COc3cccc(c3)C(O)=O)c2cc1C
Show InChI InChI=1S/C19H20N2O4/c1-12-6-17-18(7-13(12)2)21(11-20-17)9-15(22)10-25-16-5-3-4-14(8-16)19(23)24/h3-8,11,15,22H,9-10H2,1-2H3,(H,23,24)
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n/an/a 3.13E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50497500
PNG
(CHEMBL3344030)
Show SMILES OC(=O)CCC(=O)Nc1ccc(cc1)-c1nc2cccnc2[nH]1
Show InChI InChI=1S/C16H14N4O3/c21-13(7-8-14(22)23)18-11-5-3-10(4-6-11)15-19-12-2-1-9-17-16(12)20-15/h1-6,9H,7-8H2,(H,18,21)(H,22,23)(H,17,19,20)
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n/an/a 3.13E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50497491
PNG
(CHEMBL3341781)
Show SMILES OC(=O)CSCC(=O)Nc1ccc(cc1)-c1nc2cc(ccc2[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C17H14N4O5S/c22-15(8-27-9-16(23)24)18-11-3-1-10(2-4-11)17-19-13-6-5-12(21(25)26)7-14(13)20-17/h1-7H,8-9H2,(H,18,22)(H,19,20)(H,23,24)
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Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATPase activity


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50497511
PNG
(CHEMBL3344041)
Show SMILES COc1ccc2[nH]c(nc2c1)-c1ccc(NC(=O)COCC(O)=O)cc1
Show InChI InChI=1S/C18H17N3O5/c1-25-13-6-7-14-15(8-13)21-18(20-14)11-2-4-12(5-3-11)19-16(22)9-26-10-17(23)24/h2-8H,9-10H2,1H3,(H,19,22)(H,20,21)(H,23,24)
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n/an/a 4.34E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATPase activity


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50497492
PNG
(CHEMBL3344043)
Show SMILES OC(=O)COCC(=O)Nc1ccc(cc1)-c1nc2cccnc2[nH]1
Show InChI InChI=1S/C16H14N4O4/c21-13(8-24-9-14(22)23)18-11-5-3-10(4-6-11)15-19-12-2-1-7-17-16(12)20-15/h1-7H,8-9H2,(H,18,21)(H,22,23)(H,17,19,20)
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n/an/a 4.70E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50497510
PNG
(CHEMBL3344037)
Show SMILES OC(=O)CSCC(=O)Nc1ccc(cc1)-c1nc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C17H14FN3O3S/c18-11-3-6-13-14(7-11)21-17(20-13)10-1-4-12(5-2-10)19-15(22)8-25-9-16(23)24/h1-7H,8-9H2,(H,19,22)(H,20,21)(H,23,24)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50497501
PNG
(CHEMBL3344034)
Show SMILES OC(=O)COCC(=O)Nc1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H15N3O4/c21-15(9-24-10-16(22)23)18-12-7-5-11(6-8-12)17-19-13-3-1-2-4-14(13)20-17/h1-8H,9-10H2,(H,18,21)(H,19,20)(H,22,23)
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n/an/a 4.81E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50497480
PNG
(CHEMBL3344019)
Show SMILES OC(=O)CC(=O)Nc1ccc(cc1)-c1nc2cc(ccc2[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C16H12N4O5/c21-14(8-15(22)23)17-10-3-1-9(2-4-10)16-18-12-6-5-11(20(24)25)7-13(12)19-16/h1-7H,8H2,(H,17,21)(H,18,19)(H,22,23)
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n/an/a 4.93E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATPase activity


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50497486
PNG
(CHEMBL3344032)
Show SMILES COC(=O)CCCC(=O)Nc1ccc(cc1)-c1nc2cccnc2[nH]1
Show InChI InChI=1S/C18H18N4O3/c1-25-16(24)6-2-5-15(23)20-13-9-7-12(8-10-13)17-21-14-4-3-11-19-18(14)22-17/h3-4,7-11H,2,5-6H2,1H3,(H,20,23)(H,19,21,22)
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n/an/a 5.23E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATPase activity


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50497466
PNG
(CHEMBL3344022)
Show SMILES COC(=O)CCCC(=O)Nc1ccc(cc1)-c1nc2cc(ccc2[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C19H18N4O5/c1-28-18(25)4-2-3-17(24)20-13-7-5-12(6-8-13)19-21-15-10-9-14(23(26)27)11-16(15)22-19/h5-11H,2-4H2,1H3,(H,20,24)(H,21,22)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50497483
PNG
(CHEMBL3344026)
Show SMILES COc1ccc2[nH]c(nc2c1)-c1ccc(NC(=O)CCCC(O)=O)cc1
Show InChI InChI=1S/C19H19N3O4/c1-26-14-9-10-15-16(11-14)22-19(21-15)12-5-7-13(8-6-12)20-17(23)3-2-4-18(24)25/h5-11H,2-4H2,1H3,(H,20,23)(H,21,22)(H,24,25)
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n/an/a 5.32E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50497474
PNG
(CHEMBL3344008)
Show SMILES OC(=O)CCCCC(=O)Nc1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C19H19N3O3/c23-17(7-3-4-8-18(24)25)20-14-11-9-13(10-12-14)19-21-15-5-1-2-6-16(15)22-19/h1-2,5-6,9-12H,3-4,7-8H2,(H,20,23)(H,21,22)(H,24,25)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATPase activity


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50497490
PNG
(CHEMBL3344040)
Show SMILES OC(=O)COCC(=O)Nc1ccc(cc1)-c1nc2cc(ccc2[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C17H14N4O6/c22-15(8-27-9-16(23)24)18-11-3-1-10(2-4-11)17-19-13-6-5-12(21(25)26)7-14(13)20-17/h1-7H,8-9H2,(H,18,22)(H,19,20)(H,23,24)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50497501
PNG
(CHEMBL3344034)
Show SMILES OC(=O)COCC(=O)Nc1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H15N3O4/c21-15(9-24-10-16(22)23)18-12-7-5-11(6-8-12)17-19-13-3-1-2-4-14(13)20-17/h1-8H,9-10H2,(H,18,21)(H,19,20)(H,22,23)
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n/an/a 6.01E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATPase activity


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50497513
PNG
(CHEMBL3344023)
Show SMILES OC(=O)CCCCC(=O)Nc1ccc(cc1)-c1nc2cc(ccc2[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C19H18N4O5/c24-17(3-1-2-4-18(25)26)20-13-7-5-12(6-8-13)19-21-15-10-9-14(23(27)28)11-16(15)22-19/h5-11H,1-4H2,(H,20,24)(H,21,22)(H,25,26)
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n/an/a 6.09E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50497481
PNG
(CHEMBL3344021)
Show SMILES OC(=O)CCCC(=O)Nc1ccc(cc1)-c1nc2cc(ccc2[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C18H16N4O5/c23-16(2-1-3-17(24)25)19-12-6-4-11(5-7-12)18-20-14-9-8-13(22(26)27)10-15(14)21-18/h4-10H,1-3H2,(H,19,23)(H,20,21)(H,24,25)
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n/an/a 6.12E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50497474
PNG
(CHEMBL3344008)
Show SMILES OC(=O)CCCCC(=O)Nc1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C19H19N3O3/c23-17(7-3-4-8-18(24)25)20-14-11-9-13(10-12-14)19-21-15-5-1-2-6-16(15)22-19/h1-2,5-6,9-12H,3-4,7-8H2,(H,20,23)(H,21,22)(H,24,25)
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n/an/a 6.13E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50497473
PNG
(CHEMBL3344006)
Show SMILES OC(=O)CCC(=O)Nc1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H15N3O3/c21-15(9-10-16(22)23)18-12-7-5-11(6-8-12)17-19-13-3-1-2-4-14(13)20-17/h1-8H,9-10H2,(H,18,21)(H,19,20)(H,22,23)
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n/an/a 6.13E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50497498
PNG
(CHEMBL3344005)
Show SMILES OC(=O)CC(=O)Nc1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C16H13N3O3/c20-14(9-15(21)22)17-11-7-5-10(6-8-11)16-18-12-3-1-2-4-13(12)19-16/h1-8H,9H2,(H,17,20)(H,18,19)(H,21,22)
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n/an/a 6.13E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50497488
PNG
(CHEMBL3344036)
Show SMILES OC(=O)COCC(=O)Nc1ccc(cc1)-c1nc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C17H14FN3O4/c18-11-3-6-13-14(7-11)21-17(20-13)10-1-4-12(5-2-10)19-15(22)8-25-9-16(23)24/h1-7H,8-9H2,(H,19,22)(H,20,21)(H,23,24)
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n/an/a 6.13E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATPase activity


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50497486
PNG
(CHEMBL3344032)
Show SMILES COC(=O)CCCC(=O)Nc1ccc(cc1)-c1nc2cccnc2[nH]1
Show InChI InChI=1S/C18H18N4O3/c1-25-16(24)6-2-5-15(23)20-13-9-7-12(8-10-13)17-21-14-4-3-11-19-18(14)22-17/h3-4,7-11H,2,5-6H2,1H3,(H,20,23)(H,19,21,22)
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n/an/a 6.80E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50497481
PNG
(CHEMBL3344021)
Show SMILES OC(=O)CCCC(=O)Nc1ccc(cc1)-c1nc2cc(ccc2[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C18H16N4O5/c23-16(2-1-3-17(24)25)19-12-6-4-11(5-7-12)18-20-14-9-8-13(22(26)27)10-15(14)21-18/h4-10H,1-3H2,(H,19,23)(H,20,21)(H,24,25)
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n/an/a 6.83E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATPase activity


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50497498
PNG
(CHEMBL3344005)
Show SMILES OC(=O)CC(=O)Nc1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C16H13N3O3/c20-14(9-15(21)22)17-11-7-5-10(6-8-11)16-18-12-3-1-2-4-13(12)19-16/h1-8H,9H2,(H,17,20)(H,18,19)(H,21,22)
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n/an/a 6.91E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATPase activity


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50497510
PNG
(CHEMBL3344037)
Show SMILES OC(=O)CSCC(=O)Nc1ccc(cc1)-c1nc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C17H14FN3O3S/c18-11-3-6-13-14(7-11)21-17(20-13)10-1-4-12(5-2-10)19-15(22)8-25-9-16(23)24/h1-7H,8-9H2,(H,19,22)(H,20,21)(H,23,24)
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n/an/a 6.93E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATPase activity


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50497492
PNG
(CHEMBL3344043)
Show SMILES OC(=O)COCC(=O)Nc1ccc(cc1)-c1nc2cccnc2[nH]1
Show InChI InChI=1S/C16H14N4O4/c21-13(8-24-9-14(22)23)18-11-5-3-10(4-6-11)15-19-12-2-1-7-17-16(12)20-15/h1-7H,8-9H2,(H,18,21)(H,22,23)(H,17,19,20)
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n/an/a 6.94E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATPase activity


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50497468
PNG
(CHEMBL3344031)
Show SMILES OC(=O)CCCC(=O)Nc1ccc(cc1)-c1nc2cccnc2[nH]1
Show InChI InChI=1S/C17H16N4O3/c22-14(4-1-5-15(23)24)19-12-8-6-11(7-9-12)16-20-13-3-2-10-18-17(13)21-16/h2-3,6-10H,1,4-5H2,(H,19,22)(H,23,24)(H,18,20,21)
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n/an/a 6.98E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50497471
PNG
(CHEMBL3344013)
Show SMILES OC(=O)CCCCC(=O)Nc1ccc(cc1)-c1nc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C19H18FN3O3/c20-13-7-10-15-16(11-13)23-19(22-15)12-5-8-14(9-6-12)21-17(24)3-1-2-4-18(25)26/h5-11H,1-4H2,(H,21,24)(H,22,23)(H,25,26)
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n/an/a 7.10E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50497473
PNG
(CHEMBL3344006)
Show SMILES OC(=O)CCC(=O)Nc1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H15N3O3/c21-15(9-10-16(22)23)18-12-7-5-11(6-8-12)17-19-13-3-1-2-4-14(13)20-17/h1-8H,9-10H2,(H,18,21)(H,19,20)(H,22,23)
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n/an/a 7.32E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATPase activity


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50497497
PNG
(CHEMBL1572180)
Show SMILES Cc1sc2nc(SCC(=O)Nc3cccc(c3)C(O)=O)nc(O)c2c1C
Show InChI InChI=1S/C17H15N3O4S2/c1-8-9(2)26-15-13(8)14(22)19-17(20-15)25-7-12(21)18-11-5-3-4-10(6-11)16(23)24/h3-6H,7H2,1-2H3,(H,18,21)(H,23,24)(H,19,20,22)
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n/an/a 8.22E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50497506
PNG
(CHEMBL3344020)
Show SMILES OC(=O)CCC(=O)Nc1ccc(cc1)-c1nc2cc(ccc2[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C17H14N4O5/c22-15(7-8-16(23)24)18-11-3-1-10(2-4-11)17-19-13-6-5-12(21(25)26)9-14(13)20-17/h1-6,9H,7-8H2,(H,18,22)(H,19,20)(H,23,24)
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n/an/a 8.32E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50497490
PNG
(CHEMBL3344040)
Show SMILES OC(=O)COCC(=O)Nc1ccc(cc1)-c1nc2cc(ccc2[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C17H14N4O6/c22-15(8-27-9-16(23)24)18-11-3-1-10(2-4-11)17-19-13-6-5-12(21(25)26)7-14(13)20-17/h1-7H,8-9H2,(H,18,22)(H,19,20)(H,23,24)
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n/an/a 8.51E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATPase activity


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50497485
PNG
(CHEMBL3344029)
Show SMILES OC(=O)CC(=O)Nc1ccc(cc1)-c1nc2cccnc2[nH]1
Show InChI InChI=1S/C15H12N4O3/c20-12(8-13(21)22)17-10-5-3-9(4-6-10)14-18-11-2-1-7-16-15(11)19-14/h1-7H,8H2,(H,17,20)(H,21,22)(H,16,18,19)
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n/an/a 8.90E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50497515
PNG
(CHEMBL3344018)
Show SMILES OC(=O)CCCCC(=O)Nc1ccc(cc1)-c1nc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C19H18ClN3O3/c20-13-7-10-15-16(11-13)23-19(22-15)12-5-8-14(9-6-12)21-17(24)3-1-2-4-18(25)26/h5-11H,1-4H2,(H,21,24)(H,22,23)(H,25,26)
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n/an/a 8.91E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50497483
PNG
(CHEMBL3344026)
Show SMILES COc1ccc2[nH]c(nc2c1)-c1ccc(NC(=O)CCCC(O)=O)cc1
Show InChI InChI=1S/C19H19N3O4/c1-26-14-9-10-15-16(11-14)22-19(21-15)12-5-7-13(8-6-12)20-17(23)3-2-4-18(24)25/h5-11H,2-4H2,1H3,(H,20,23)(H,21,22)(H,24,25)
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n/an/a 8.93E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATPase activity


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50497478
PNG
(CHEMBL3344016)
Show SMILES OC(=O)CCCC(=O)Nc1ccc(cc1)-c1nc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C18H16ClN3O3/c19-12-6-9-14-15(10-12)22-18(21-14)11-4-7-13(8-5-11)20-16(23)2-1-3-17(24)25/h4-10H,1-3H2,(H,20,23)(H,21,22)(H,24,25)
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n/an/a 9.13E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
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