Compile Data Set for Download or QSAR
Found 12 Enz. Inhib. hit(s) with all data for entry = 50047007
TargetDNA gyrase subunit A/B(Staphylococcus aureus)
Cubist Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50143184(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)
Affinity DataIC50: 265nMAssay Description:Inhibition of Staphylococcus aureus DNA gyrase ATPase activity using pBR322 DNA as substrate after 30 mins by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetDNA gyrase subunit A/B(Staphylococcus aureus)
Cubist Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50143186(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)
Affinity DataIC50: 1.32E+3nMAssay Description:Inhibition of Staphylococcus aureus DNA gyrase ATPase activity using pBR322 DNA as substrate after 30 mins by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetDNA gyrase subunit A/B(Staphylococcus aureus)
Cubist Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50143185(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)
Affinity DataIC50: 3.25E+3nMAssay Description:Inhibition of Staphylococcus aureus DNA gyrase ATPase activity using pBR322 DNA as substrate after 30 mins by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetDNA gyrase subunit B(Staphylococcus aureus)
Cubist Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50143189(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)
Affinity DataIC50: 5.00E+4nMAssay Description:Binding affinity to full length Staphylococcus aureus GyrB by STD-NMR spectroscopic analysisMore data for this Ligand-Target Pair
TargetDNA gyrase subunit B(Staphylococcus aureus)
Cubist Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50414094(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)
Affinity DataIC50: 5.00E+4nMAssay Description:Binding affinity to full length Staphylococcus aureus GyrB by STD-NMR spectroscopic analysisMore data for this Ligand-Target Pair
TargetDNA gyrase subunit B(Staphylococcus aureus)
Cubist Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50143186(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)
Affinity DataIC50: 5.00E+4nMAssay Description:Binding affinity to full length Staphylococcus aureus GyrB by STD-NMR spectroscopic analysisMore data for this Ligand-Target Pair
TargetDNA gyrase subunit B(Staphylococcus aureus)
Cubist Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50143185(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)
Affinity DataIC50: 5.00E+4nMAssay Description:Binding affinity to full length Staphylococcus aureus GyrB by STD-NMR spectroscopic analysisMore data for this Ligand-Target Pair
TargetDNA gyrase subunit B(Staphylococcus aureus)
Cubist Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50143184(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)
Affinity DataIC50: 5.00E+4nMAssay Description:Binding affinity to full length Staphylococcus aureus GyrB by STD-NMR spectroscopic analysisMore data for this Ligand-Target Pair
TargetDNA gyrase subunit B(Staphylococcus aureus)
Cubist Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50449136(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)
Affinity DataIC50: 5.00E+4nMAssay Description:Binding affinity to full length Staphylococcus aureus GyrB by STD-NMR spectroscopic analysisMore data for this Ligand-Target Pair
TargetDNA gyrase subunit B(Staphylococcus aureus)
Cubist Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50143188(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)
Affinity DataIC50: 8.40E+5nMAssay Description:Binding affinity to full length Staphylococcus aureus GyrB by STD-NMR spectroscopic analysisMore data for this Ligand-Target Pair
TargetDNA gyrase subunit B(Staphylococcus aureus)
Cubist Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50143187(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)
Affinity DataIC50: 8.40E+5nMAssay Description:Binding affinity to full length Staphylococcus aureus GyrB by STD-NMR spectroscopic analysisMore data for this Ligand-Target Pair
TargetDNA gyrase subunit B(Staphylococcus aureus)
Cubist Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50143190(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+
Affinity DataIC50: 8.40E+5nMAssay Description:Binding affinity to full length Staphylococcus aureus GyrB by STD-NMR spectroscopic analysisMore data for this Ligand-Target Pair