BindingDB logo
myBDB logout

PubMed code 27541007

Compile data set for download or QSAR
Found 45 hits of Enzyme Inhibition Constant Data   
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 B


(Escherichia coli (strain K12))		BDBM50198238
PNG
(CHEMBL3903891)
Show SMILES OC(=O)CCC(=O)Nc1ccc2nc(NC(=O)c3cc(Br)c(Br)[nH]3)sc2c1
Show InChI InChI=1S/C16H12Br2N4O4S/c17-8-6-10(20-14(8)18)15(26)22-16-21-9-2-1-7(5-11(9)27-16)19-12(23)3-4-13(24)25/h1-2,5-6,20H,3-4H2,(H,19,23)(H,24,25)(H,21,22,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 33n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence of b...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Escherichia coli (strain K12))		BDBM50198237
PNG
(CHEMBL3898662)
Show SMILES OC(=O)C(=O)Nc1nc2ccc(NC(=O)c3cc(Br)c(Br)[nH]3)cc2s1
Show InChI InChI=1S/C14H8Br2N4O4S/c15-6-4-8(18-10(6)16)11(21)17-5-1-2-7-9(3-5)25-14(19-7)20-12(22)13(23)24/h1-4,18H,(H,17,21)(H,23,24)(H,19,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 38n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence of b...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Similars
DrugBank
PDB
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
DNA gyrase subunit B


(Escherichia coli (strain K12))		BDBM50198315
PNG
(CHEMBL3973476)
Show SMILES OC(=O)CCC(=O)Nc1nc2ccc(NC(=O)c3cc(Br)c(Br)[nH]3)cc2s1
Show InChI InChI=1S/C16H12Br2N4O4S/c17-8-6-10(20-14(8)18)15(26)19-7-1-2-9-11(5-7)27-16(21-9)22-12(23)3-4-13(24)25/h1-2,5-6,20H,3-4H2,(H,19,26)(H,24,25)(H,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 57n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence of b...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Escherichia coli (strain K12))		BDBM50198240
PNG
(CHEMBL3908487)
Show SMILES OC(=O)C(=O)Nc1ccc2nc(NC(=O)c3cc(Br)c(Br)[nH]3)sc2c1
Show InChI InChI=1S/C14H8Br2N4O4S/c15-6-4-8(18-10(6)16)11(21)20-14-19-7-2-1-5(3-9(7)25-14)17-12(22)13(23)24/h1-4,18H,(H,17,22)(H,23,24)(H,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
PDB
Article
PubMed
n/an/a 58n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence of b...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
DNA gyrase subunit B


(Escherichia coli (strain K12))		BDBM50198322
PNG
(CHEMBL3936261)
Show SMILES CCOC(=O)C(=O)Nc1nc2ccc(NC(=O)c3cc(Br)c(Br)[nH]3)cc2s1
Show InChI InChI=1S/C16H12Br2N4O4S/c1-2-26-15(25)14(24)22-16-21-9-4-3-7(5-11(9)27-16)19-13(23)10-6-8(17)12(18)20-10/h3-6,20H,2H2,1H3,(H,19,23)(H,21,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 81n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence of b...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Escherichia coli (strain K12))		BDBM50198235
PNG
(CHEMBL3931016)
Show SMILES OC(=O)C(=O)Nc1ccc2nc(NC(=O)c3cc(Cl)c(Cl)[nH]3)sc2c1
Show InChI InChI=1S/C14H8Cl2N4O4S/c15-6-4-8(18-10(6)16)11(21)20-14-19-7-2-1-5(3-9(7)25-14)17-12(22)13(23)24/h1-4,18H,(H,17,22)(H,23,24)(H,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 87n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence of b...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Escherichia coli (strain K12))		BDBM50198323
PNG
(CHEMBL3917118)
Show SMILES OC(=O)CC(=O)Nc1ccc2nc(NC(=O)c3cc(Cl)c(Cl)[nH]3)sc2c1
Show InChI InChI=1S/C15H10Cl2N4O4S/c16-7-4-9(19-13(7)17)14(25)21-15-20-8-2-1-6(3-10(8)26-15)18-11(22)5-12(23)24/h1-4,19H,5H2,(H,18,22)(H,23,24)(H,20,21,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence of b...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Escherichia coli (strain K12))		BDBM50198320
PNG
(CHEMBL3936438)
Show SMILES OC(=O)CC(=O)Nc1ccc2nc(NC(=O)c3cc(Br)c(Br)[nH]3)sc2c1
Show InChI InChI=1S/C15H10Br2N4O4S/c16-7-4-9(19-13(7)17)14(25)21-15-20-8-2-1-6(3-10(8)26-15)18-11(22)5-12(23)24/h1-4,19H,5H2,(H,18,22)(H,23,24)(H,20,21,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 140n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence of b...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Escherichia coli (strain K12))		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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Similars
MMDB
Article
PubMed
n/an/a 170n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence of b...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Escherichia coli (strain K12))		BDBM50198298
PNG
(CHEMBL3917447)
Show SMILES COC(=O)CC(=O)Nc1ccc2nc(NC(=O)c3cc(Cl)c(Cl)[nH]3)sc2c1
Show InChI InChI=1S/C16H12Cl2N4O4S/c1-26-13(24)6-12(23)19-7-2-3-9-11(4-7)27-16(21-9)22-15(25)10-5-8(17)14(18)20-10/h2-5,20H,6H2,1H3,(H,19,23)(H,21,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 220n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence of b...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Escherichia coli (strain K12))		BDBM50198319
PNG
(CHEMBL3896465)
Show SMILES COC(=O)CC(=O)Nc1nc2ccc(NC(=O)c3cc(Br)c(Br)[nH]3)cc2s1
Show InChI InChI=1S/C16H12Br2N4O4S/c1-26-13(24)6-12(23)22-16-21-9-3-2-7(4-11(9)27-16)19-15(25)10-5-8(17)14(18)20-10/h2-5,20H,6H2,1H3,(H,19,25)(H,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 240n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence of b...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Escherichia coli (strain K12))		BDBM50198317
PNG
(CHEMBL3905948)
Show SMILES OC(=O)CCC(=O)Nc1ccc2nc(NC(=O)c3cc(Cl)c(Cl)[nH]3)sc2c1
Show InChI InChI=1S/C16H12Cl2N4O4S/c17-8-6-10(20-14(8)18)15(26)22-16-21-9-2-1-7(5-11(9)27-16)19-12(23)3-4-13(24)25/h1-2,5-6,20H,3-4H2,(H,19,23)(H,24,25)(H,21,22,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 430n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence of b...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50198235
PNG
(CHEMBL3931016)
Show SMILES OC(=O)C(=O)Nc1ccc2nc(NC(=O)c3cc(Cl)c(Cl)[nH]3)sc2c1
Show InChI InChI=1S/C14H8Cl2N4O4S/c15-6-4-8(18-10(6)16)11(21)20-14-19-7-2-1-5(3-9(7)25-14)17-12(22)13(23)24/h1-4,18H,(H,17,22)(H,23,24)(H,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 510n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Escherichia coli (strain K12))		BDBM50198241
PNG
(CHEMBL3904782)
Show SMILES COC(=O)CCC(=O)Nc1nc2ccc(NC(=O)c3cc(Br)c(Br)[nH]3)cc2s1
Show InChI InChI=1S/C17H14Br2N4O4S/c1-27-14(25)5-4-13(24)23-17-22-10-3-2-8(6-12(10)28-17)20-16(26)11-7-9(18)15(19)21-11/h2-3,6-7,21H,4-5H2,1H3,(H,20,26)(H,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 870n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence of b...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Escherichia coli (strain K12))		BDBM50198239
PNG
(CHEMBL3921420)
Show SMILES CCOC(=O)C(=O)Nc1nc2ccc(NC(=O)c3cc(Cl)c(Cl)[nH]3)cc2s1
Show InChI InChI=1S/C16H12Cl2N4O4S/c1-2-26-15(25)14(24)22-16-21-9-4-3-7(5-11(9)27-16)19-13(23)10-6-8(17)12(18)20-10/h3-6,20H,2H2,1H3,(H,19,23)(H,21,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence of b...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Escherichia coli (strain K12))		BDBM50198236
PNG
(CHEMBL3962799)
Show SMILES COC(=O)CC(=O)Nc1ccc2nc(NC(=O)c3cc(Br)c(Br)[nH]3)sc2c1
Show InChI InChI=1S/C16H12Br2N4O4S/c1-26-13(24)6-12(23)19-7-2-3-9-11(4-7)27-16(21-9)22-15(25)10-5-8(17)14(18)20-10/h2-5,20H,6H2,1H3,(H,19,23)(H,21,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence of b...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Escherichia coli (strain K12))		BDBM50198321
PNG
(CHEMBL3944293)
Show SMILES Nc1ccc2nc(NC(=O)c3cc(Br)c(Br)[nH]3)sc2c1
Show InChI InChI=1S/C12H8Br2N4OS/c13-6-4-8(16-10(6)14)11(19)18-12-17-7-2-1-5(15)3-9(7)20-12/h1-4,16H,15H2,(H,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence of b...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50198320
PNG
(CHEMBL3936438)
Show SMILES OC(=O)CC(=O)Nc1ccc2nc(NC(=O)c3cc(Br)c(Br)[nH]3)sc2c1
Show InChI InChI=1S/C15H10Br2N4O4S/c16-7-4-9(19-13(7)17)14(25)21-15-20-8-2-1-6(3-10(8)26-15)18-11(22)5-12(23)24/h1-4,19H,5H2,(H,18,22)(H,23,24)(H,20,21,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 5.60E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Escherichia coli (strain K12))		BDBM50198318
PNG
(CHEMBL3926428)
Show SMILES COC(=O)CCC(=O)Nc1ccc2nc(NC(=O)c3cc(Br)c(Br)[nH]3)sc2c1
Show InChI InChI=1S/C17H14Br2N4O4S/c1-27-14(25)5-4-13(24)20-8-2-3-10-12(6-8)28-17(22-10)23-16(26)11-7-9(18)15(19)21-11/h2-3,6-7,21H,4-5H2,1H3,(H,20,24)(H,22,23,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence of b...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Escherichia coli (strain K12))		BDBM50198316
PNG
(CHEMBL3948353)
Show SMILES COC(=O)CC(=O)Nc1nc2ccc(NC(=O)c3cc(Cl)c(Cl)[nH]3)cc2s1
Show InChI InChI=1S/C16H12Cl2N4O4S/c1-26-13(24)6-12(23)22-16-21-9-3-2-7(4-11(9)27-16)19-15(25)10-5-8(17)14(18)20-10/h2-5,20H,6H2,1H3,(H,19,25)(H,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence of b...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50198323
PNG
(CHEMBL3917118)
Show SMILES OC(=O)CC(=O)Nc1ccc2nc(NC(=O)c3cc(Cl)c(Cl)[nH]3)sc2c1
Show InChI InChI=1S/C15H10Cl2N4O4S/c16-7-4-9(19-13(7)17)14(25)21-15-20-8-2-1-6(3-10(8)26-15)18-11(22)5-12(23)24/h1-4,19H,5H2,(H,18,22)(H,23,24)(H,20,21,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 8.50E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Escherichia coli (strain K12))		BDBM50198300
PNG
(CHEMBL3935324)
Show SMILES CCOC(=O)C(=O)Nc1ccc2nc(NC(=O)c3cc(Br)c(Br)[nH]3)sc2c1
Show InChI InChI=1S/C16H12Br2N4O4S/c1-2-26-15(25)14(24)19-7-3-4-9-11(5-7)27-16(21-9)22-13(23)10-6-8(17)12(18)20-10/h3-6,20H,2H2,1H3,(H,19,24)(H,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 2.90E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence of b...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Escherichia coli (strain K12))		BDBM50198242
PNG
(CHEMBL3945326)
Show SMILES COC(=O)CCC(=O)Nc1ccc2nc(NC(=O)c3cc(Cl)c(Cl)[nH]3)sc2c1
Show InChI InChI=1S/C17H14Cl2N4O4S/c1-27-14(25)5-4-13(24)20-8-2-3-10-12(6-8)28-17(22-10)23-16(26)11-7-9(18)15(19)21-11/h2-3,6-7,21H,4-5H2,1H3,(H,20,24)(H,22,23,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.50E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence of b...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50198317
PNG
(CHEMBL3905948)
Show SMILES OC(=O)CCC(=O)Nc1ccc2nc(NC(=O)c3cc(Cl)c(Cl)[nH]3)sc2c1
Show InChI InChI=1S/C16H12Cl2N4O4S/c17-8-6-10(20-14(8)18)15(26)22-16-21-9-2-1-7(5-11(9)27-16)19-12(23)3-4-13(24)25/h1-2,5-6,20H,3-4H2,(H,19,23)(H,24,25)(H,21,22,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 9.40E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50198316
PNG
(CHEMBL3948353)
Show SMILES COC(=O)CC(=O)Nc1nc2ccc(NC(=O)c3cc(Cl)c(Cl)[nH]3)cc2s1
Show InChI InChI=1S/C16H12Cl2N4O4S/c1-26-13(24)6-12(23)22-16-21-9-3-2-7(4-11(9)27-16)19-15(25)10-5-8(17)14(18)20-10/h2-5,20H,6H2,1H3,(H,19,25)(H,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50198318
PNG
(CHEMBL3926428)
Show SMILES COC(=O)CCC(=O)Nc1ccc2nc(NC(=O)c3cc(Br)c(Br)[nH]3)sc2c1
Show InChI InChI=1S/C17H14Br2N4O4S/c1-27-14(25)5-4-13(24)20-8-2-3-10-12(6-8)28-17(22-10)23-16(26)11-7-9(18)15(19)21-11/h2-3,6-7,21H,4-5H2,1H3,(H,20,24)(H,22,23,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Escherichia coli (strain K12))		BDBM50198262
PNG
(CHEMBL3973760)
Show SMILES Nc1ccc2nc(NC(=O)c3cc(Cl)c(Cl)[nH]3)sc2c1
Show InChI InChI=1S/C12H8Cl2N4OS/c13-6-4-8(16-10(6)14)11(19)18-12-17-7-2-1-5(15)3-9(7)20-12/h1-4,16H,15H2,(H,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence of b...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50198321
PNG
(CHEMBL3944293)
Show SMILES Nc1ccc2nc(NC(=O)c3cc(Br)c(Br)[nH]3)sc2c1
Show InChI InChI=1S/C12H8Br2N4OS/c13-6-4-8(16-10(6)14)11(19)18-12-17-7-2-1-5(15)3-9(7)20-12/h1-4,16H,15H2,(H,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50198319
PNG
(CHEMBL3896465)
Show SMILES COC(=O)CC(=O)Nc1nc2ccc(NC(=O)c3cc(Br)c(Br)[nH]3)cc2s1
Show InChI InChI=1S/C16H12Br2N4O4S/c1-26-13(24)6-12(23)22-16-21-9-3-2-7(4-11(9)27-16)19-15(25)10-5-8(17)14(18)20-10/h2-5,20H,6H2,1H3,(H,19,25)(H,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50198298
PNG
(CHEMBL3917447)
Show SMILES COC(=O)CC(=O)Nc1ccc2nc(NC(=O)c3cc(Cl)c(Cl)[nH]3)sc2c1
Show InChI InChI=1S/C16H12Cl2N4O4S/c1-26-13(24)6-12(23)19-7-2-3-9-11(4-7)27-16(21-9)22-15(25)10-5-8(17)14(18)20-10/h2-5,20H,6H2,1H3,(H,19,23)(H,21,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50198241
PNG
(CHEMBL3904782)
Show SMILES COC(=O)CCC(=O)Nc1nc2ccc(NC(=O)c3cc(Br)c(Br)[nH]3)cc2s1
Show InChI InChI=1S/C17H14Br2N4O4S/c1-27-14(25)5-4-13(24)23-17-22-10-3-2-8(6-12(10)28-17)20-16(26)11-7-9(18)15(19)21-11/h2-3,6-7,21H,4-5H2,1H3,(H,20,26)(H,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50198322
PNG
(CHEMBL3936261)
Show SMILES CCOC(=O)C(=O)Nc1nc2ccc(NC(=O)c3cc(Br)c(Br)[nH]3)cc2s1
Show InChI InChI=1S/C16H12Br2N4O4S/c1-2-26-15(25)14(24)22-16-21-9-4-3-7(5-11(9)27-16)19-13(23)10-6-8(17)12(18)20-10/h3-6,20H,2H2,1H3,(H,19,23)(H,21,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50198300
PNG
(CHEMBL3935324)
Show SMILES CCOC(=O)C(=O)Nc1ccc2nc(NC(=O)c3cc(Br)c(Br)[nH]3)sc2c1
Show InChI InChI=1S/C16H12Br2N4O4S/c1-2-26-15(25)14(24)19-7-3-4-9-11(5-7)27-16(21-9)22-13(23)10-6-8(17)12(18)20-10/h3-6,20H,2H2,1H3,(H,19,24)(H,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50198299
PNG
(CHEMBL3964980)
Show SMILES CCOC(=O)C(=O)Nc1ccc2nc(NC(=O)c3cc(Cl)c(Cl)[nH]3)sc2c1
Show InChI InChI=1S/C16H12Cl2N4O4S/c1-2-26-15(25)14(24)19-7-3-4-9-11(5-7)27-16(21-9)22-13(23)10-6-8(17)12(18)20-10/h3-6,20H,2H2,1H3,(H,19,24)(H,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Escherichia coli (strain K12))		BDBM50198299
PNG
(CHEMBL3964980)
Show SMILES CCOC(=O)C(=O)Nc1ccc2nc(NC(=O)c3cc(Cl)c(Cl)[nH]3)sc2c1
Show InChI InChI=1S/C16H12Cl2N4O4S/c1-2-26-15(25)14(24)19-7-3-4-9-11(5-7)27-16(21-9)22-13(23)10-6-8(17)12(18)20-10/h3-6,20H,2H2,1H3,(H,19,24)(H,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence of b...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50198240
PNG
(CHEMBL3908487)
Show SMILES OC(=O)C(=O)Nc1ccc2nc(NC(=O)c3cc(Br)c(Br)[nH]3)sc2c1
Show InChI InChI=1S/C14H8Br2N4O4S/c15-6-4-8(18-10(6)16)11(21)20-14-19-7-2-1-5(3-9(7)25-14)17-12(22)13(23)24/h1-4,18H,(H,17,22)(H,23,24)(H,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50198262
PNG
(CHEMBL3973760)
Show SMILES Nc1ccc2nc(NC(=O)c3cc(Cl)c(Cl)[nH]3)sc2c1
Show InChI InChI=1S/C12H8Cl2N4OS/c13-6-4-8(16-10(6)14)11(19)18-12-17-7-2-1-5(15)3-9(7)20-12/h1-4,16H,15H2,(H,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50198315
PNG
(CHEMBL3973476)
Show SMILES OC(=O)CCC(=O)Nc1nc2ccc(NC(=O)c3cc(Br)c(Br)[nH]3)cc2s1
Show InChI InChI=1S/C16H12Br2N4O4S/c17-8-6-10(20-14(8)18)15(26)19-7-1-2-9-11(5-7)27-16(21-9)22-12(23)3-4-13(24)25/h1-2,5-6,20H,3-4H2,(H,19,26)(H,24,25)(H,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50198239
PNG
(CHEMBL3921420)
Show SMILES CCOC(=O)C(=O)Nc1nc2ccc(NC(=O)c3cc(Cl)c(Cl)[nH]3)cc2s1
Show InChI InChI=1S/C16H12Cl2N4O4S/c1-2-26-15(25)14(24)22-16-21-9-4-3-7(5-11(9)27-16)19-13(23)10-6-8(17)12(18)20-10/h3-6,20H,2H2,1H3,(H,19,23)(H,21,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50198238
PNG
(CHEMBL3903891)
Show SMILES OC(=O)CCC(=O)Nc1ccc2nc(NC(=O)c3cc(Br)c(Br)[nH]3)sc2c1
Show InChI InChI=1S/C16H12Br2N4O4S/c17-8-6-10(20-14(8)18)15(26)22-16-21-9-2-1-7(5-11(9)27-16)19-12(23)3-4-13(24)25/h1-2,5-6,20H,3-4H2,(H,19,23)(H,24,25)(H,21,22,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50198237
PNG
(CHEMBL3898662)
Show SMILES OC(=O)C(=O)Nc1nc2ccc(NC(=O)c3cc(Br)c(Br)[nH]3)cc2s1
Show InChI InChI=1S/C14H8Br2N4O4S/c15-6-4-8(18-10(6)16)11(21)17-5-1-2-7-9(3-5)25-14(19-7)20-12(22)13(23)24/h1-4,18H,(H,17,21)(H,23,24)(H,19,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50198242
PNG
(CHEMBL3945326)
Show SMILES COC(=O)CCC(=O)Nc1ccc2nc(NC(=O)c3cc(Cl)c(Cl)[nH]3)sc2c1
Show InChI InChI=1S/C17H14Cl2N4O4S/c1-27-14(25)5-4-13(24)20-8-2-3-10-12(6-8)28-17(22-10)23-16(26)11-7-9(18)15(19)21-11/h2-3,6-7,21H,4-5H2,1H3,(H,20,24)(H,22,23,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50198236
PNG
(CHEMBL3962799)
Show SMILES COC(=O)CC(=O)Nc1ccc2nc(NC(=O)c3cc(Br)c(Br)[nH]3)sc2c1
Show InChI InChI=1S/C16H12Br2N4O4S/c1-26-13(24)6-12(23)19-7-2-3-9-11(4-7)27-16(21-9)22-15(25)10-5-8(17)14(18)20-10/h2-5,20H,6H2,1H3,(H,19,23)(H,21,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence...

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Escherichia coli (strain K12))		BDBM50198240
PNG
(CHEMBL3908487)
Show SMILES OC(=O)C(=O)Nc1ccc2nc(NC(=O)c3cc(Br)c(Br)[nH]3)sc2c1
Show InChI InChI=1S/C14H8Br2N4O4S/c15-6-4-8(18-10(6)16)11(21)20-14-19-7-2-1-5(3-9(7)25-14)17-12(22)13(23)24/h1-4,18H,(H,17,22)(H,23,24)(H,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
PDB
Article
PubMed
n/an/an/a 230n/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli DNA gyrase B ATP binding site by surface plasmon resonance assay

J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
* indicates data uncertainty>20%