new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 759 hits Enz. Inhib. hit(s) with Target = 'DNA gyrase subunit B'   
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))
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
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
7n/an/an/an/an/an/an/an/a



R. C. Patel Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli H560 DNA gyrase B ATPase activity after 30 mins by ammonium molybdate/malachite green-based phosphate detection assay


Eur J Med Chem 124: 160-185 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.034
BindingDB Entry DOI: 10.7270/Q2K64M38
More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Staphylococcus aureus)
BDBM50393079
PNG
(CHEMBL2152855 | US9040542, 23)
Show SMILES CCNC(=O)Nc1nc2cc(c(F)c([C@H]3CCCO3)c2[nH]1)-c1cnc(nc1)C(C)(C)O |r|
Show InChI InChI=1S/C21H25FN6O3/c1-4-23-20(29)28-19-26-13-8-12(11-9-24-18(25-10-11)21(2,3)30)16(22)15(17(13)27-19)14-6-5-7-31-14/h8-10,14,30H,4-7H2,1-3H3,(H3,23,26,27,28,29)/t14-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase Gyr B subunit by ATPase assay


ACS Med Chem Lett 3: 783-784 (2012)


Article DOI: 10.1021/ml300234y
BindingDB Entry DOI: 10.7270/Q2N29Z1N
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010376
PNG
(CHEMBL3263618)
Show SMILES CCNC(=O)Nc1nc2cc(-c3ccn(CCOC)c(=O)c3)c(OCC3CCOC3)nc2s1
Show InChI InChI=1S/C22H27N5O5S/c1-3-23-21(29)26-22-24-17-11-16(15-4-6-27(7-9-30-2)18(28)10-15)19(25-20(17)33-22)32-13-14-5-8-31-12-14/h4,6,10-11,14H,3,5,7-9,12-13H2,1-2H3,(H2,23,24,26,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<0.5n/an/an/an/an/an/a



AstraZeneca India Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Cell Chem Biol 56: 8834-48 (2013)


Article DOI: 10.1021/jm401268f
BindingDB Entry DOI: 10.7270/Q2RV0Q7W
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010373
PNG
(CHEMBL3263615)
Show SMILES CCNC(=O)Nc1nc2cc(-c3ccn(C)c(=O)c3)c(OCC3CCOC3)nc2s1
Show InChI InChI=1S/C20H23N5O4S/c1-3-21-19(27)24-20-22-15-9-14(13-4-6-25(2)16(26)8-13)17(23-18(15)30-20)29-11-12-5-7-28-10-12/h4,6,8-9,12H,3,5,7,10-11H2,1-2H3,(H2,21,22,24,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



AstraZeneca India Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Cell Chem Biol 56: 8834-48 (2013)


Article DOI: 10.1021/jm401268f
BindingDB Entry DOI: 10.7270/Q2RV0Q7W
More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Staphylococcus aureus)
BDBM50047345
PNG
(CHEMBL3314588)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1cncc(NCCN2CCN(C)CC2)n1 |r|
Show InChI InChI=1/C27H35Cl2N9O4S/c1-15-20(28)21(29)23(32-15)25(39)34-16-4-6-38(14-18(16)42-3)27-35-22(24(43-27)26(40)41)17-12-30-13-19(33-17)31-5-7-37-10-8-36(2)9-11-37/h12-13,16,18,32H,4-11,14H2,1-3H3,(H,31,33)(H,34,39)(H,40,41)/t16-,18+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Staphylococcus aureus GyrB


J Med Chem 57: 6060-82 (2014)


Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1
More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Staphylococcus aureus)
BDBM50388101
PNG
(CHEMBL2059380)
Show SMILES CCNC(=O)c1cc2c(c(cnc2[nH]1)-c1cc(cnc1OC)-c1n[nH]c(=O)o1)-n1ccc(n1)C(F)(F)F
Show InChI InChI=1S/C22H17F3N8O4/c1-3-26-18(34)14-7-12-16(33-5-4-15(32-33)22(23,24)25)13(9-27-17(12)29-14)11-6-10(8-28-20(11)36-2)19-30-31-21(35)37-19/h4-9H,3H2,1-2H3,(H,26,34)(H,27,29)(H,31,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B expressed in Escherichia coli BL21(DE3) cells assessed ATP hydrolysis activity after 18 to 24 hrs by...


Bioorg Med Chem Lett 22: 5150-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.128
BindingDB Entry DOI: 10.7270/Q2D79CG0
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010340
PNG
(CHEMBL3263621)
Show SMILES CCNC(=O)Nc1nc2cc(c(OCC3CCOC3)nc2s1)-c1ccn(CCN2CCOCC2)c(=O)c1
Show InChI InChI=1S/C25H32N6O5S/c1-2-26-24(33)29-25-27-20-14-19(22(28-23(20)37-25)36-16-17-4-10-35-15-17)18-3-5-31(21(32)13-18)7-6-30-8-11-34-12-9-30/h3,5,13-14,17H,2,4,6-12,15-16H2,1H3,(H2,26,27,29,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



AstraZeneca India Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Cell Chem Biol 56: 8834-48 (2013)


Article DOI: 10.1021/jm401268f
BindingDB Entry DOI: 10.7270/Q2RV0Q7W
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010377
PNG
(CHEMBL3263619)
Show SMILES CCNC(=O)Nc1nc2cc(-c3ccn(CCOC)c(=O)c3)c(O[C@@H]3CCOC3)nc2s1 |r|
Show InChI InChI=1S/C21H25N5O5S/c1-3-22-20(28)25-21-23-16-11-15(13-4-6-26(7-9-29-2)17(27)10-13)18(24-19(16)32-21)31-14-5-8-30-12-14/h4,6,10-11,14H,3,5,7-9,12H2,1-2H3,(H2,22,23,25,28)/t14-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



AstraZeneca India Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Cell Chem Biol 56: 8834-48 (2013)


Article DOI: 10.1021/jm401268f
BindingDB Entry DOI: 10.7270/Q2RV0Q7W
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447299
PNG
(CHEMBL3114208)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cc(C)n(CCOC)c(=O)c3)c(=O)n(C(C)C)c2s1
Show InChI InChI=1S/C21H27N5O4S/c1-6-22-20(29)24-21-23-16-11-15(18(28)26(12(2)3)19(16)31-21)14-9-13(4)25(7-8-30-5)17(27)10-14/h9-12H,6-8H2,1-5H3,(H2,22,23,24,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010339
PNG
(CHEMBL3263620)
Show SMILES CCNC(=O)Nc1nc2cc(-c3ccn(CCN(C)C)c(=O)c3)c(OCC3CCOC3)nc2s1
Show InChI InChI=1S/C23H30N6O4S/c1-4-24-22(31)27-23-25-18-12-17(16-5-7-29(19(30)11-16)9-8-28(2)3)20(26-21(18)34-23)33-14-15-6-10-32-13-15/h5,7,11-12,15H,4,6,8-10,13-14H2,1-3H3,(H2,24,25,27,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



AstraZeneca India Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Cell Chem Biol 56: 8834-48 (2013)


Article DOI: 10.1021/jm401268f
BindingDB Entry DOI: 10.7270/Q2RV0Q7W
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010338
PNG
(CHEMBL3259858)
Show SMILES CCNC(=O)Nc1nc2cc(c(N[C@H]3CCOC3)nc2s1)-c1ccn(CCOC)c(=O)c1 |r|
Show InChI InChI=1S/C21H26N6O4S/c1-3-22-20(29)26-21-24-16-11-15(13-4-6-27(7-9-30-2)17(28)10-13)18(25-19(16)32-21)23-14-5-8-31-12-14/h4,6,10-11,14H,3,5,7-9,12H2,1-2H3,(H,23,25)(H2,22,24,26,29)/t14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



AstraZeneca India Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Cell Chem Biol 56: 8834-48 (2013)


Article DOI: 10.1021/jm401268f
BindingDB Entry DOI: 10.7270/Q2RV0Q7W
More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Staphylococcus aureus)
BDBM50358854
PNG
(CHEMBL1923440)
Show SMILES Cc1[nH]c(C(=O)N[C@@H]2CCN(C[C@@H]2F)c2ncc(s2)C(O)=O)c(Cl)c1Cl |r|
Show InChI InChI=1S/C15H15Cl2FN4O3S/c1-6-10(16)11(17)12(20-6)13(23)21-8-2-3-22(5-7(8)18)15-19-4-9(26-15)14(24)25/h4,7-8,20H,2-3,5H2,1H3,(H,21,23)(H,24,25)/t7-,8+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of recombinant Staphylococcus aureus DNA gyrase B hybrid tetramer enzyme reconstituted from Escherichia coli GyrA by am...


Bioorg Med Chem Lett 21: 7416-20 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.010
BindingDB Entry DOI: 10.7270/Q2RB7512
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA Gyrase Subunit B


(Staphylococcus aureus)
BDBM50388100
PNG
(CHEMBL2059379)
Show SMILES CCNC(=O)c1cc2c(c(cnc2[nH]1)-c1cnc(OC)c(c1)-c1n[nH]c(=O)o1)-n1ccc(n1)C(F)(F)F
Show InChI InChI=1S/C22H17F3N8O4/c1-3-26-18(34)14-7-11-16(33-5-4-15(32-33)22(23,24)25)13(9-27-17(11)29-14)10-6-12(19(36-2)28-8-10)20-30-31-21(35)37-20/h4-9H,3H2,1-2H3,(H,26,34)(H,27,29)(H,31,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B expressed in Escherichia coli BL21(DE3) cells assessed ATP hydrolysis activity after 18 to 24 hrs by...


Bioorg Med Chem Lett 22: 5150-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.128
BindingDB Entry DOI: 10.7270/Q2D79CG0
More data for this
Ligand-Target Pair
DNA gyrase


(Staphylococcus aureus)
BDBM50173889
PNG
(CHEMBL3809400)
Show SMILES C=CCn1c2[nH]nc(-c3cnc(s3)-c3cccnc3)c2ccc1=O
Show InChI InChI=1S/C17H13N5OS/c1-2-8-22-14(23)6-5-12-15(20-21-16(12)22)13-10-19-17(24-13)11-4-3-7-18-9-11/h2-7,9-10H,1,8H2,(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


ACS Med Chem Lett 7: 374-8 (2016)


BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447303
PNG
(CHEMBL3114202)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cncc(c3)C#N)c(=O)n(C(C)C)c2s1
Show InChI InChI=1S/C18H18N6O2S/c1-4-21-17(26)23-18-22-14-6-13(12-5-11(7-19)8-20-9-12)15(25)24(10(2)3)16(14)27-18/h5-6,8-10H,4H2,1-3H3,(H2,21,22,23,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010371
PNG
(CHEMBL3263613)
Show SMILES CCNC(=O)Nc1nc2cc(c(OCC3CCOC3)nc2s1)-c1cncc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C25H32N6O5S/c1-2-27-24(32)30-25-28-21-12-20(22(29-23(21)37-25)36-16-17-3-7-34-15-17)18-11-19(14-26-13-18)35-10-6-31-4-8-33-9-5-31/h11-14,17H,2-10,15-16H2,1H3,(H2,27,28,30,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



AstraZeneca India Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Cell Chem Biol 56: 8834-48 (2013)


Article DOI: 10.1021/jm401268f
BindingDB Entry DOI: 10.7270/Q2RV0Q7W
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010374
PNG
(CHEMBL3263616)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cc(C)n(C)c(=O)c3)c(OCC3CCOC3)nc2s1
Show InChI InChI=1S/C21H25N5O4S/c1-4-22-20(28)25-21-23-16-9-15(14-7-12(2)26(3)17(27)8-14)18(24-19(16)31-21)30-11-13-5-6-29-10-13/h7-9,13H,4-6,10-11H2,1-3H3,(H2,22,23,25,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 4.60n/an/an/an/an/an/a



AstraZeneca India Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Cell Chem Biol 56: 8834-48 (2013)


Article DOI: 10.1021/jm401268f
BindingDB Entry DOI: 10.7270/Q2RV0Q7W
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447301
PNG
(CHEMBL3114206)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cc(C)n(CC)c(=O)c3)c(=O)n(C(C)C)c2s1
Show InChI InChI=1S/C20H25N5O3S/c1-6-21-19(28)23-20-22-15-10-14(17(27)25(11(3)4)18(15)29-20)13-8-12(5)24(7-2)16(26)9-13/h8-11H,6-7H2,1-5H3,(H2,21,22,23,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447300
PNG
(CHEMBL3114207)
Show SMILES CCNC(=O)Nc1nc2cc(-c3ccn(CCOC)c(=O)c3)c(=O)n(C(C)C)c2s1
Show InChI InChI=1S/C20H25N5O4S/c1-5-21-19(28)23-20-22-15-11-14(17(27)25(12(2)3)18(15)30-20)13-6-7-24(8-9-29-4)16(26)10-13/h6-7,10-12H,5,8-9H2,1-4H3,(H2,21,22,23,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010347
PNG
(CHEMBL3263591)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(OCC3CCOC3)nc2s1
Show InChI InChI=1S/C19H21N5O3S/c1-2-21-18(25)24-19-22-15-8-14(13-4-3-6-20-9-13)16(23-17(15)28-19)27-11-12-5-7-26-10-12/h3-4,6,8-9,12H,2,5,7,10-11H2,1H3,(H2,21,22,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



AstraZeneca India Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Cell Chem Biol 56: 8834-48 (2013)


Article DOI: 10.1021/jm401268f
BindingDB Entry DOI: 10.7270/Q2RV0Q7W
More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Staphylococcus aureus)
BDBM50388092
PNG
(CHEMBL2059196)
Show SMILES CCNC(=O)c1cc2c(c(cnc2[nH]1)-c1cncc(c1)C(O)=O)-n1ccc(n1)C(F)(F)F
Show InChI InChI=1S/C20H15F3N6O3/c1-2-25-18(30)14-6-12-16(29-4-3-15(28-29)20(21,22)23)13(9-26-17(12)27-14)10-5-11(19(31)32)8-24-7-10/h3-9H,2H2,1H3,(H,25,30)(H,26,27)(H,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B expressed in Escherichia coli BL21(DE3) cells assessed ATP hydrolysis activity after 18 to 24 hrs by...


Bioorg Med Chem Lett 22: 5150-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.128
BindingDB Entry DOI: 10.7270/Q2D79CG0
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447305
PNG
(CHEMBL3114200)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cncc(OC)c3)c(=O)n(C(C)C)c2s1
Show InChI InChI=1S/C18H21N5O3S/c1-5-20-17(25)22-18-21-14-7-13(11-6-12(26-4)9-19-8-11)15(24)23(10(2)3)16(14)27-18/h6-10H,5H2,1-4H3,(H2,20,21,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase


(Staphylococcus aureus)
BDBM50173879
PNG
(CHEMBL3810359)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3cccnc3)c2ccc1=O
Show InChI InChI=1S/C17H15N5OS/c1-2-8-22-14(23)6-5-12-15(20-21-16(12)22)13-10-19-17(24-13)11-4-3-7-18-9-11/h3-7,9-10H,2,8H2,1H3,(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
PubMed
n/an/a 6n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


ACS Med Chem Lett 7: 374-8 (2016)


BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA gyrase


(Staphylococcus aureus)
BDBM50173875
PNG
(CHEMBL3808756)
Show SMILES CCCn1c2[nH]nc(-c3nc(C(=O)OC)c(s3)-c3cccnc3)c2ccc1=O
Show InChI InChI=1S/C19H17N5O3S/c1-3-9-24-13(25)7-6-12-14(22-23-17(12)24)18-21-15(19(26)27-2)16(28-18)11-5-4-8-20-10-11/h4-8,10H,3,9H2,1-2H3,(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


ACS Med Chem Lett 7: 374-8 (2016)


BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010362
PNG
(CHEMBL3263604)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cncc(F)c3)c(OCC3CCOC3)nc2s1
Show InChI InChI=1S/C19H20FN5O3S/c1-2-22-18(26)25-19-23-15-6-14(12-5-13(20)8-21-7-12)16(24-17(15)29-19)28-10-11-3-4-27-9-11/h5-8,11H,2-4,9-10H2,1H3,(H2,22,23,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



AstraZeneca India Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Cell Chem Biol 56: 8834-48 (2013)


Article DOI: 10.1021/jm401268f
BindingDB Entry DOI: 10.7270/Q2RV0Q7W
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010365
PNG
(CHEMBL3263607)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cnc(C)nc3)c(OCC3CCOC3)nc2s1
Show InChI InChI=1S/C19H22N6O3S/c1-3-20-18(26)25-19-23-15-6-14(13-7-21-11(2)22-8-13)16(24-17(15)29-19)28-10-12-4-5-27-9-12/h6-8,12H,3-5,9-10H2,1-2H3,(H2,20,23,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



AstraZeneca India Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Cell Chem Biol 56: 8834-48 (2013)


Article DOI: 10.1021/jm401268f
BindingDB Entry DOI: 10.7270/Q2RV0Q7W
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010364
PNG
(CHEMBL3263606)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cncc(OC)c3)c(OCC3CCOC3)nc2s1
Show InChI InChI=1S/C20H23N5O4S/c1-3-22-19(26)25-20-23-16-7-15(13-6-14(27-2)9-21-8-13)17(24-18(16)30-20)29-11-12-4-5-28-10-12/h6-9,12H,3-5,10-11H2,1-2H3,(H2,22,23,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



AstraZeneca India Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Cell Chem Biol 56: 8834-48 (2013)


Article DOI: 10.1021/jm401268f
BindingDB Entry DOI: 10.7270/Q2RV0Q7W
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50447297
PNG
(CHEMBL3114210)
Show SMILES CCNC(=O)Nc1nc2cc(-c3ccn4ncnc4c3)c(=O)n(C(C)C)c2s1
Show InChI InChI=1S/C18H19N7O2S/c1-4-19-17(27)23-18-22-13-8-12(15(26)25(10(2)3)16(13)28-18)11-5-6-24-14(7-11)20-9-21-24/h5-10H,4H2,1-3H3,(H2,19,22,23,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins


Bioorg Med Chem Lett 24: 870-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.080
BindingDB Entry DOI: 10.7270/Q2K9390V
More data for this
Ligand-Target Pair
DNA gyrase


(Staphylococcus aureus)
BDBM50173720
PNG
(CHEMBL3809947)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(CN4CCOCC4)nc3)c2ccc1=O
Show InChI InChI=1S/C22H24N6O2S/c1-2-7-28-19(29)6-5-17-20(25-26-21(17)28)18-13-24-22(31-18)15-3-4-16(23-12-15)14-27-8-10-30-11-9-27/h3-6,12-13H,2,7-11,14H2,1H3,(H,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a<8n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


ACS Med Chem Lett 7: 374-8 (2016)


BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
DNA gyrase


(Staphylococcus aureus)
BDBM50173718
PNG
(CHEMBL3809821)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(CO)nc3)c2ccc1=O
Show InChI InChI=1S/C18H17N5O2S/c1-2-7-23-15(25)6-5-13-16(21-22-17(13)23)14-9-20-18(26-14)11-3-4-12(10-24)19-8-11/h3-6,8-9,24H,2,7,10H2,1H3,(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a<8n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


ACS Med Chem Lett 7: 374-8 (2016)


BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
DNA gyrase


(Staphylococcus aureus)
BDBM50135114
PNG
(CHEMBL3742072)
Show SMILES [Na+].[Na+].CCCOc1nccc2c(n[nH]c12)-c1cnc(s1)-c1ccc(COP([O-])([O-])=O)nc1
Show InChI InChI=1S/C18H18N5O5PS.2Na/c1-2-7-27-17-16-13(5-6-19-17)15(22-23-16)14-9-21-18(30-14)11-3-4-12(20-8-11)10-28-29(24,25)26;;/h3-6,8-9H,2,7,10H2,1H3,(H,22,23)(H2,24,25,26);;/q;2*+1/p-2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a<8n/an/an/an/an/an/a



Cubist Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus Gyrase B ATPase activity by fluorescence analysis


ACS Med Chem Lett 6: 1080-5 (2015)


BindingDB Entry DOI: 10.7270/Q2GB25VF
More data for this
Ligand-Target Pair
DNA gyrase


(Staphylococcus aureus)
BDBM50135115
PNG
(CHEMBL3741066)
Show SMILES CCCOc1nccc2c(n[nH]c12)-c1cnc(s1)-c1ccc(CO)nc1
Show InChI InChI=1S/C18H17N5O2S/c1-2-7-25-17-16-13(5-6-19-17)15(22-23-16)14-9-21-18(26-14)11-3-4-12(10-24)20-8-11/h3-6,8-9,24H,2,7,10H2,1H3,(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a<8n/an/an/an/an/an/a



Cubist Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus Gyrase B ATPase activity by fluorescence analysis


ACS Med Chem Lett 6: 1080-5 (2015)


BindingDB Entry DOI: 10.7270/Q2GB25VF
More data for this
Ligand-Target Pair
DNA gyrase


(Staphylococcus aureus)
BDBM50135116
PNG
(CHEMBL3740365)
Show SMILES CCCOc1nccc2c(n[nH]c12)-c1cnc(s1)-c1ccc(nc1)C(O)=O
Show InChI InChI=1S/C18H15N5O3S/c1-2-7-26-16-15-11(5-6-19-16)14(22-23-15)13-9-21-17(27-13)10-3-4-12(18(24)25)20-8-10/h3-6,8-9H,2,7H2,1H3,(H,22,23)(H,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a<8n/an/an/an/an/an/a



Cubist Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus Gyrase B ATPase activity by fluorescence analysis


ACS Med Chem Lett 6: 1080-5 (2015)


BindingDB Entry DOI: 10.7270/Q2GB25VF
More data for this
Ligand-Target Pair
DNA gyrase


(Staphylococcus aureus)
BDBM50173857
PNG
(CHEMBL3808789)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(nc3)C(=O)NCCN(CC)CC)c2ccc1=O
Show InChI InChI=1S/C24H29N7O2S/c1-4-12-31-20(32)10-8-17-21(28-29-22(17)31)19-15-27-24(34-19)16-7-9-18(26-14-16)23(33)25-11-13-30(5-2)6-3/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,25,33)(H,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a<8n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


ACS Med Chem Lett 7: 374-8 (2016)


BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
DNA gyrase


(Staphylococcus aureus)
BDBM50173823
PNG
(CHEMBL3809278)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(nc3)C(=O)N(C)C)c2ccc1=O
Show InChI InChI=1S/C20H20N6O2S/c1-4-9-26-16(27)8-6-13-17(23-24-18(13)26)15-11-22-19(29-15)12-5-7-14(21-10-12)20(28)25(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 8n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


ACS Med Chem Lett 7: 374-8 (2016)


BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010375
PNG
(CHEMBL3263617)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cc(C(C)C)n(C)c(=O)c3)c(OCC3CCOC3)nc2s1
Show InChI InChI=1S/C23H29N5O4S/c1-5-24-22(30)27-23-25-17-10-16(15-8-18(13(2)3)28(4)19(29)9-15)20(26-21(17)33-23)32-12-14-6-7-31-11-14/h8-10,13-14H,5-7,11-12H2,1-4H3,(H2,24,25,27,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



AstraZeneca India Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Cell Chem Biol 56: 8834-48 (2013)


Article DOI: 10.1021/jm401268f
BindingDB Entry DOI: 10.7270/Q2RV0Q7W
More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Staphylococcus aureus)
BDBM50134212
PNG
(CHEMBL3741453)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(nc3)C(O)=O)c2ccc1=O
Show InChI InChI=1S/C18H15N5O3S/c1-2-7-23-14(24)6-4-11-15(21-22-16(11)23)13-9-20-17(27-13)10-3-5-12(18(25)26)19-8-10/h3-6,8-9H,2,7H2,1H3,(H,21,22)(H,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a<8n/an/an/an/an/an/a



Cubist Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus Gyrase B ATPase activity by fluorescence analysis


ACS Med Chem Lett 6: 1080-5 (2015)


BindingDB Entry DOI: 10.7270/Q2GB25VF
More data for this
Ligand-Target Pair
DNA gyrase


(Staphylococcus aureus)
BDBM50173644
PNG
(CHEMBL3810048)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(C)nc3)c2ccc1=O
Show InChI InChI=1S/C18H17N5OS/c1-3-8-23-15(24)7-6-13-16(21-22-17(13)23)14-10-20-18(25-14)12-5-4-11(2)19-9-12/h4-7,9-10H,3,8H2,1-2H3,(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a<8n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


ACS Med Chem Lett 7: 374-8 (2016)


BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
DNA gyrase


(Staphylococcus aureus)
BDBM50173641
PNG
(CHEMBL3810223)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(nc3)N3CCN(C)CC3)c2ccc1=O
Show InChI InChI=1S/C22H25N7OS/c1-3-8-29-19(30)7-5-16-20(25-26-21(16)29)17-14-24-22(31-17)15-4-6-18(23-13-15)28-11-9-27(2)10-12-28/h4-7,13-14H,3,8-12H2,1-2H3,(H,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 8n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


ACS Med Chem Lett 7: 374-8 (2016)


BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
DNA gyrase


(Staphylococcus aureus)
BDBM50173874
PNG
(CHEMBL3808699)
Show SMILES CCCn1c2[nH]nc(-c3ncc(s3)-c3cccnc3)c2ccc1=O
Show InChI InChI=1S/C17H15N5OS/c1-2-8-22-14(23)6-5-12-15(20-21-16(12)22)17-19-10-13(24-17)11-4-3-7-18-9-11/h3-7,9-10H,2,8H2,1H3,(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 9n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


ACS Med Chem Lett 7: 374-8 (2016)


BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010348
PNG
(CHEMBL3263592)
Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(OC3CCOCC3)nc2s1
Show InChI InChI=1S/C19H21N5O3S/c1-2-21-18(25)24-19-22-15-10-14(12-4-3-7-20-11-12)16(23-17(15)28-19)27-13-5-8-26-9-6-13/h3-4,7,10-11,13H,2,5-6,8-9H2,1H3,(H2,21,22,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



AstraZeneca India Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Cell Chem Biol 56: 8834-48 (2013)


Article DOI: 10.1021/jm401268f
BindingDB Entry DOI: 10.7270/Q2RV0Q7W
More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Staphylococcus aureus)
BDBM50388097
PNG
(CHEMBL2059375)
Show SMILES CCNC(=O)c1cc2c(c(cnc2[nH]1)-c1cncc(c1)C(N)=O)-n1ccc(n1)C(F)(F)F
Show InChI InChI=1S/C20H16F3N7O2/c1-2-26-19(32)14-6-12-16(30-4-3-15(29-30)20(21,22)23)13(9-27-18(12)28-14)10-5-11(17(24)31)8-25-7-10/h3-9H,2H2,1H3,(H2,24,31)(H,26,32)(H,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B expressed in Escherichia coli BL21(DE3) cells assessed ATP hydrolysis activity after 18 to 24 hrs by...


Bioorg Med Chem Lett 22: 5150-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.128
BindingDB Entry DOI: 10.7270/Q2D79CG0
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50010360
PNG
(CHEMBL3263603)
Show SMILES CCNC(=O)Nc1nc2cc(-c3ccc(F)nc3)c(OCC3CCOC3)nc2s1
Show InChI InChI=1S/C19H20FN5O3S/c1-2-21-18(26)25-19-23-14-7-13(12-3-4-15(20)22-8-12)16(24-17(14)29-19)28-10-11-5-6-27-9-11/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H2,21,23,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



AstraZeneca India Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Cell Chem Biol 56: 8834-48 (2013)


Article DOI: 10.1021/jm401268f
BindingDB Entry DOI: 10.7270/Q2RV0Q7W
More data for this
Ligand-Target Pair
DNA gyrase


(Staphylococcus aureus)
BDBM50173723
PNG
(CHEMBL3809816)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(CN(CC)CC)nc3)c2ccc1=O
Show InChI InChI=1S/C22H26N6OS/c1-4-11-28-19(29)10-9-17-20(25-26-21(17)28)18-13-24-22(30-18)15-7-8-16(23-12-15)14-27(5-2)6-3/h7-10,12-13H,4-6,11,14H2,1-3H3,(H,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 9n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


ACS Med Chem Lett 7: 374-8 (2016)


BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Staphylococcus aureus)
BDBM50047346
PNG
(CHEMBL3314589)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1ccccn1 |r|
Show InChI InChI=1/C21H21Cl2N5O4S/c1-10-14(22)15(23)17(25-10)19(29)26-11-6-8-28(9-13(11)32-2)21-27-16(18(33-21)20(30)31)12-5-3-4-7-24-12/h3-5,7,11,13,25H,6,8-9H2,1-2H3,(H,26,29)(H,30,31)/t11-,13+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<9.80n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Staphylococcus aureus GyrB


J Med Chem 57: 6060-82 (2014)


Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1
More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Staphylococcus aureus)
BDBM50047347
PNG
(CHEMBL3314590)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(-c2nccs2)c(s1)C(O)=O |r|
Show InChI InChI=1/C19H19Cl2N5O4S2/c1-8-11(20)12(21)13(23-8)16(27)24-9-3-5-26(7-10(9)30-2)19-25-14(15(32-19)18(28)29)17-22-4-6-31-17/h4,6,9-10,23H,3,5,7H2,1-2H3,(H,24,27)(H,28,29)/t9-,10+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<9.80n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Staphylococcus aureus GyrB


J Med Chem 57: 6060-82 (2014)


Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1
More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Staphylococcus aureus)
BDBM50047348
PNG
(CHEMBL3314591)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(-c2csc(N)n2)c(s1)C(O)=O |r|
Show InChI InChI=1/C19H20Cl2N6O4S2/c1-7-11(20)12(21)14(23-7)16(28)24-8-3-4-27(5-10(8)31-2)19-26-13(15(33-19)17(29)30)9-6-32-18(22)25-9/h6,8,10,23H,3-5H2,1-2H3,(H2,22,25)(H,24,28)(H,29,30)/t8-,10+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<9.80n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Staphylococcus aureus GyrB


J Med Chem 57: 6060-82 (2014)


Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1
More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Staphylococcus aureus)
BDBM50047177
PNG
(CHEMBL3314560)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(C(O)=O)c(C)s1 |r|
Show InChI InChI=1/C17H20Cl2N4O4S/c1-7-11(18)12(19)14(20-7)15(24)21-9-4-5-23(6-10(9)27-3)17-22-13(16(25)26)8(2)28-17/h9-10,20H,4-6H2,1-3H3,(H,21,24)(H,25,26)/t9-,10+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a<10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Staphylococcus aureus GyrB


J Med Chem 57: 6060-82 (2014)


Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1
More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Staphylococcus aureus)
BDBM50047188
PNG
(CHEMBL3314561)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(C(O)=O)c(s1)C(N)=O |r|
Show InChI InChI=1/C17H19Cl2N5O5S/c1-6-9(18)10(19)11(21-6)15(26)22-7-3-4-24(5-8(7)29-2)17-23-12(16(27)28)13(30-17)14(20)25/h7-8,21H,3-5H2,1-2H3,(H2,20,25)(H,22,26)(H,27,28)/t7-,8+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Staphylococcus aureus GyrB


J Med Chem 57: 6060-82 (2014)


Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1
More data for this
Ligand-Target Pair
DNA Gyrase Subunit B


(Staphylococcus aureus)
BDBM50047196
PNG
(CHEMBL3314562)
Show SMILES CNC(=O)c1sc(nc1C(O)=O)N1CC[C@@H](NC(=O)c2[nH]c(C)c(Cl)c2Cl)[C@H](C1)OC |r|
Show InChI InChI=1/C18H21Cl2N5O5S/c1-7-10(19)11(20)12(22-7)15(26)23-8-4-5-25(6-9(8)30-3)18-24-13(17(28)29)14(31-18)16(27)21-2/h8-9,22H,4-6H2,1-3H3,(H,21,27)(H,23,26)(H,28,29)/t8-,9+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Staphylococcus aureus GyrB


J Med Chem 57: 6060-82 (2014)


Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 759 total )  |  Next  |  Last  >>
Jump to: