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PubMed code 26786695

Compile data set for download or QSAR
Found 12 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 A/B


(Staphylococcus aureus)
BDBM50143184
PNG
(CHEMBL3759063)
Show SMILES O=c1ccc2c(n[nH]c2[nH]1)-c1cnc(s1)-c1cccnc1
Show InChI InChI=1S/C14H9N5OS/c20-11-4-3-9-12(18-19-13(9)17-11)10-7-16-14(21-10)8-2-1-5-15-6-8/h1-7H,(H2,17,18,19,20)
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PubMed
n/an/a 265n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase activity using pBR322 DNA as substrate after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 26: 1314-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.009
BindingDB Entry DOI: 10.7270/Q2XK8HDG
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50143186
PNG
(CHEMBL3759862)
Show SMILES O=c1cc(-c2ccccc2)c2c(n[nH]c2[nH]1)-c1cnc(s1)-c1cccnc1
Show InChI InChI=1S/C20H13N5OS/c26-16-9-14(12-5-2-1-3-6-12)17-18(24-25-19(17)23-16)15-11-22-20(27-15)13-7-4-8-21-10-13/h1-11H,(H2,23,24,25,26)
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UniChem
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PubMed
n/an/a 1.32E+3n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase activity using pBR322 DNA as substrate after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 26: 1314-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.009
BindingDB Entry DOI: 10.7270/Q2XK8HDG
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50143185
PNG
(CHEMBL3759272)
Show SMILES Cc1cc(=O)[nH]c2[nH]nc(-c3cnc(s3)-c3cccnc3)c12
Show InChI InChI=1S/C15H11N5OS/c1-8-5-11(21)18-14-12(8)13(19-20-14)10-7-17-15(22-10)9-3-2-4-16-6-9/h2-7H,1H3,(H2,18,19,20,21)
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PubMed
n/an/a 3.25E+3n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase ATPase activity using pBR322 DNA as substrate after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 26: 1314-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.009
BindingDB Entry DOI: 10.7270/Q2XK8HDG
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50143184
PNG
(CHEMBL3759063)
Show SMILES O=c1ccc2c(n[nH]c2[nH]1)-c1cnc(s1)-c1cccnc1
Show InChI InChI=1S/C14H9N5OS/c20-11-4-3-9-12(18-19-13(9)17-11)10-7-16-14(21-10)8-2-1-5-15-6-8/h1-7H,(H2,17,18,19,20)
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PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to full length Staphylococcus aureus GyrB by STD-NMR spectroscopic analysis


Bioorg Med Chem Lett 26: 1314-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.009
BindingDB Entry DOI: 10.7270/Q2XK8HDG
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50449136
PNG
(CHEMBL288959)
Show SMILES Nc1nc(cc(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C10H9N3O/c11-10-12-8(6-9(14)13-10)7-4-2-1-3-5-7/h1-6H,(H3,11,12,13,14)
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Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to full length Staphylococcus aureus GyrB by STD-NMR spectroscopic analysis


Bioorg Med Chem Lett 26: 1314-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.009
BindingDB Entry DOI: 10.7270/Q2XK8HDG
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50143186
PNG
(CHEMBL3759862)
Show SMILES O=c1cc(-c2ccccc2)c2c(n[nH]c2[nH]1)-c1cnc(s1)-c1cccnc1
Show InChI InChI=1S/C20H13N5OS/c26-16-9-14(12-5-2-1-3-6-12)17-18(24-25-19(17)23-16)15-11-22-20(27-15)13-7-4-8-21-10-13/h1-11H,(H2,23,24,25,26)
PDB
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KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to full length Staphylococcus aureus GyrB by STD-NMR spectroscopic analysis


Bioorg Med Chem Lett 26: 1314-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.009
BindingDB Entry DOI: 10.7270/Q2XK8HDG
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50143189
PNG
(CHEMBL3759276)
Show SMILES CCCC(=O)Nc1sccc1C(N)=O
Show InChI InChI=1S/C9H12N2O2S/c1-2-3-7(12)11-9-6(8(10)13)4-5-14-9/h4-5H,2-3H2,1H3,(H2,10,13)(H,11,12)
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PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to full length Staphylococcus aureus GyrB by STD-NMR spectroscopic analysis


Bioorg Med Chem Lett 26: 1314-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.009
BindingDB Entry DOI: 10.7270/Q2XK8HDG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50414094
PNG
(CHEMBL559696)
Show SMILES O=c1[nH]cnc2scc(-c3cccs3)c12
Show InChI InChI=1S/C10H6N2OS2/c13-9-8-6(7-2-1-3-14-7)4-15-10(8)12-5-11-9/h1-5H,(H,11,12,13)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to full length Staphylococcus aureus GyrB by STD-NMR spectroscopic analysis


Bioorg Med Chem Lett 26: 1314-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.009
BindingDB Entry DOI: 10.7270/Q2XK8HDG
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50143185
PNG
(CHEMBL3759272)
Show SMILES Cc1cc(=O)[nH]c2[nH]nc(-c3cnc(s3)-c3cccnc3)c12
Show InChI InChI=1S/C15H11N5OS/c1-8-5-11(21)18-14-12(8)13(19-20-14)10-7-17-15(22-10)9-3-2-4-16-6-9/h2-7H,1H3,(H2,18,19,20,21)
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to full length Staphylococcus aureus GyrB by STD-NMR spectroscopic analysis


Bioorg Med Chem Lett 26: 1314-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.009
BindingDB Entry DOI: 10.7270/Q2XK8HDG
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50143187
PNG
(CHEMBL1481051)
Show SMILES Cc1n[nH]c2NC(=O)CC(c12)c1ccccc1F
Show InChI InChI=1S/C13H12FN3O/c1-7-12-9(8-4-2-3-5-10(8)14)6-11(18)15-13(12)17-16-7/h2-5,9H,6H2,1H3,(H2,15,16,17,18)
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Article
PubMed
n/an/a 8.40E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to full length Staphylococcus aureus GyrB by STD-NMR spectroscopic analysis


Bioorg Med Chem Lett 26: 1314-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.009
BindingDB Entry DOI: 10.7270/Q2XK8HDG
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50143188
PNG
(CHEMBL1419183)
Show SMILES Cc1cc(O)[nH]c2nnc(-c3ccccc3)c12
Show InChI InChI=1S/C13H11N3O/c1-8-7-10(17)14-13-11(8)12(15-16-13)9-5-3-2-4-6-9/h2-7H,1H3,(H2,14,15,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.40E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to full length Staphylococcus aureus GyrB by STD-NMR spectroscopic analysis


Bioorg Med Chem Lett 26: 1314-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.009
BindingDB Entry DOI: 10.7270/Q2XK8HDG
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50143190
PNG
(CHEMBL3760057)
Show SMILES O=C1Nc2ccccc2\C1=C/c1cccnc1
Show InChI InChI=1S/C14H10N2O/c17-14-12(8-10-4-3-7-15-9-10)11-5-1-2-6-13(11)16-14/h1-9H,(H,16,17)/b12-8+
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PubMed
n/an/a 8.40E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to full length Staphylococcus aureus GyrB by STD-NMR spectroscopic analysis


Bioorg Med Chem Lett 26: 1314-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.009
BindingDB Entry DOI: 10.7270/Q2XK8HDG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%