Compile Data Set for Download or QSAR

Found 506 hits of ic50 for UniProtKB: P20831   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50274126 (CHEMBL4127938) Show SMILES COc1c(Br)c(OC)c(C(C)=O)c2OC(C)(C)C=Cc12 |c:17| Show InChI InChI=1S/C15H17BrO4/c1-8(17)10-12-9(6-7-15(2,3)20-12)13(18-4)11(16)14(10)19-5/h6-7H,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Bharathiar University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in relaxation of pBR322 DNA by SDS-PAGE analysis				Bioorg Med Chem 26: 3438-3452 (2018) Article DOI: 10.1016/j.bmc.2018.05.016 BindingDB Entry DOI: 10.7270/Q2125W5H
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50274128 (CHEMBL4127899) Show SMILES COc1cc2OC(C)(C)CC(=O)c2c(O)c1C(C)=O Show InChI InChI=1S/C14H16O5/c1-7(15)11-9(18-4)5-10-12(13(11)17)8(16)6-14(2,3)19-10/h5,17H,6H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Bharathiar University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in relaxation of pBR322 DNA by SDS-PAGE analysis				Bioorg Med Chem 26: 3438-3452 (2018) Article DOI: 10.1016/j.bmc.2018.05.016 BindingDB Entry DOI: 10.7270/Q2125W5H
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50274129 (CHEMBL4126667) Show SMILES COC1C(Br)c2c(OC)c(Br)c(OC)c(C(C)=O)c2OC1(C)C Show InChI InChI=1S/C16H20Br2O5/c1-7(19)8-12-9(14(21-5)11(18)13(8)20-4)10(17)15(22-6)16(2,3)23-12/h10,15H,1-6H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Bharathiar University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in relaxation of pBR322 DNA by SDS-PAGE analysis				Bioorg Med Chem 26: 3438-3452 (2018) Article DOI: 10.1016/j.bmc.2018.05.016 BindingDB Entry DOI: 10.7270/Q2125W5H
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50274145 (CHEMBL4127930) Show SMILES COc1cc(OC)c(C(C)=O)c2OC(C)(C)C(O)C(Br)c12 Show InChI InChI=1S/C15H19BrO5/c1-7(17)10-8(19-4)6-9(20-5)11-12(16)14(18)15(2,3)21-13(10)11/h6,12,14,18H,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Bharathiar University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in relaxation of pBR322 DNA by SDS-PAGE analysis				Bioorg Med Chem 26: 3438-3452 (2018) Article DOI: 10.1016/j.bmc.2018.05.016 BindingDB Entry DOI: 10.7270/Q2125W5H
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50274134 (CHEMBL4128711) Show SMILES COc1cc(OC)c(C(C)=O)c2OC(C)(C)[C@@H](O)[C@@H](O)c12 |r| Show InChI InChI=1S/C15H20O6/c1-7(16)10-8(19-4)6-9(20-5)11-12(17)14(18)15(2,3)21-13(10)11/h6,12,14,17-18H,1-5H3/t12-,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Bharathiar University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in relaxation of pBR322 DNA by SDS-PAGE analysis				Bioorg Med Chem 26: 3438-3452 (2018) Article DOI: 10.1016/j.bmc.2018.05.016 BindingDB Entry DOI: 10.7270/Q2125W5H
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50274136 (CHEMBL4126781) Show SMILES COC1C(Cl)c2c(OC)c(Cl)c(OC)c(C(C)=O)c2OC1(C)C Show InChI InChI=1S/C16H20Cl2O5/c1-7(19)8-12-9(14(21-5)11(18)13(8)20-4)10(17)15(22-6)16(2,3)23-12/h10,15H,1-6H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Bharathiar University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in relaxation of pBR322 DNA by SDS-PAGE analysis				Bioorg Med Chem 26: 3438-3452 (2018) Article DOI: 10.1016/j.bmc.2018.05.016 BindingDB Entry DOI: 10.7270/Q2125W5H
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50274133 (CHEMBL4129139) Show SMILES COc1cc2OC(C)(C)[C@@H](O)[C@@H](O)c2c(OC)c1C(C)=O |r| Show InChI InChI=1S/C15H20O6/c1-7(16)10-8(19-4)6-9-11(13(10)20-5)12(17)14(18)15(2,3)21-9/h6,12,14,17-18H,1-5H3/t12-,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Bharathiar University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in relaxation of pBR322 DNA by SDS-PAGE analysis				Bioorg Med Chem 26: 3438-3452 (2018) Article DOI: 10.1016/j.bmc.2018.05.016 BindingDB Entry DOI: 10.7270/Q2125W5H
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50494813 (CHEMBL3094348) Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1ccc(nc1)C(O)=O Show InChI InChI=1S/C21H17N5O3S/c1-2-22-20(29)26-21-25-17-10-13(12-6-7-16(19(27)28)24-11-12)9-14(18(17)30-21)15-5-3-4-8-23-15/h3-11H,2H2,1H3,(H,27,28)(H2,22,25,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.38	n/a	n/a	n/a	n/a	n/a	n/a
Biota Holdings Ltd Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay				Bioorg Med Chem Lett 23: 6598-603 (2013) Article DOI: 10.1016/j.bmcl.2013.10.058 BindingDB Entry DOI: 10.7270/Q2HD7ZMQ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50274135 (CHEMBL4129934) Show SMILES COc1cc(OS(=O)(=O)C(F)(F)F)c2C=CC(C)(C)Oc2c1C(C)=O |c:14| Show InChI InChI=1S/C15H15F3O6S/c1-8(19)12-11(22-4)7-10(24-25(20,21)15(16,17)18)9-5-6-14(2,3)23-13(9)12/h5-7H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Bharathiar University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in relaxation of pBR322 DNA by SDS-PAGE analysis				Bioorg Med Chem 26: 3438-3452 (2018) Article DOI: 10.1016/j.bmc.2018.05.016 BindingDB Entry DOI: 10.7270/Q2125W5H
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50274127 (CHEMBL4129335) Show SMILES COC1C(Cl)c2c(O)c(Cl)c(OC)c(C(C)=O)c2OC1(C)C Show InChI InChI=1S/C15H18Cl2O5/c1-6(18)7-12-8(11(19)10(17)13(7)20-4)9(16)14(21-5)15(2,3)22-12/h9,14,19H,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Bharathiar University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in relaxation of pBR322 DNA by SDS-PAGE analysis				Bioorg Med Chem 26: 3438-3452 (2018) Article DOI: 10.1016/j.bmc.2018.05.016 BindingDB Entry DOI: 10.7270/Q2125W5H
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50226181 ((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/a	n/a	<4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase				Bioorg Med Chem Lett 22: 7127-30 (2012) Article DOI: 10.1016/j.bmcl.2012.09.071 BindingDB Entry DOI: 10.7270/Q2NP2793
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572196 (CHEMBL4879265) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(I)c(F)c3)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572198 (CHEMBL4873479) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3cc(F)c(Br)c(F)c3)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266393 (CHEMBL4099988) Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)OC(C)C)c2cn1)-c1ccncc1 Show InChI InChI=1S/C22H25N5O3/c1-4-24-21(28)27-20-11-18-17(15-7-9-23-10-8-15)6-5-16(19(18)13-25-20)12-26-22(29)30-14(2)3/h5-11,13-14H,4,12H2,1-3H3,(H,26,29)(H2,24,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<4	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266347 (CHEMBL4070524) Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)OCCO)c2cn1)-c1ccncc1 Show InChI InChI=1S/C21H23N5O4/c1-2-23-20(28)26-19-11-17-16(14-5-7-22-8-6-14)4-3-15(18(17)13-24-19)12-25-21(29)30-10-9-27/h3-8,11,13,27H,2,9-10,12H2,1H3,(H,25,29)(H2,23,24,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<4	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266348 (CHEMBL4064539) Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)OC)c2cn1)-c1ccncc1 Show InChI InChI=1S/C20H21N5O3/c1-3-22-19(26)25-18-10-16-15(13-6-8-21-9-7-13)5-4-14(17(16)12-23-18)11-24-20(27)28-2/h4-10,12H,3,11H2,1-2H3,(H,24,27)(H2,22,23,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<4	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266374 (CHEMBL4099469) Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)C3CC3)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C23H25N5O2/c1-3-24-23(30)28-21-11-19-18(16-8-9-25-14(2)10-16)7-6-17(20(19)13-26-21)12-27-22(29)15-4-5-15/h6-11,13,15H,3-5,12H2,1-2H3,(H,27,29)(H2,24,26,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<4	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266345 (CHEMBL4094690) Show SMILES Cl.CCNC(=O)Nc1cc2c(ccc(CNC(=O)OCCN3CCOCC3)c2cn1)-c1ccncc1 Show InChI InChI=1S/C25H30N6O4/c1-2-27-24(32)30-23-15-21-20(18-5-7-26-8-6-18)4-3-19(22(21)17-28-23)16-29-25(33)35-14-11-31-9-12-34-13-10-31/h3-8,15,17H,2,9-14,16H2,1H3,(H,29,33)(H2,27,28,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<4	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572194 (CHEMBL4862136) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(Cl)c(F)c3)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572195 (CHEMBL4868908) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(Br)c(F)c3)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50274132 (CHEMBL4127740) Show SMILES COc1cc(O)c2C=CC(C)(C)Oc2c1C(C)=O |c:7| Show InChI InChI=1S/C14H16O4/c1-8(15)12-11(17-4)7-10(16)9-5-6-14(2,3)18-13(9)12/h5-7,16H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Bharathiar University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in relaxation of pBR322 DNA by SDS-PAGE analysis				Bioorg Med Chem 26: 3438-3452 (2018) Article DOI: 10.1016/j.bmc.2018.05.016 BindingDB Entry DOI: 10.7270/Q2125W5H
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50518949 (CHEMBL4448131) Show SMILES Fc1ccc2ccc(=O)n3C[C@@H](NCCC[C@H]4CN(C(=O)O4)c4ccc5OCC(=O)Nc5n4)c1c23 |r| Show InChI InChI=1S/C24H22FN5O5/c25-15-5-3-13-4-8-20(32)30-11-16(21(15)22(13)30)26-9-1-2-14-10-29(24(33)35-14)18-7-6-17-23(27-18)28-19(31)12-34-17/h3-8,14,16,26H,1-2,9-12H2,(H,27,28,31)/t14-,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Angelini S.p.A. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase				J Med Chem 62: 7445-7472 (2019) Article DOI: 10.1021/acs.jmedchem.9b00394 BindingDB Entry DOI: 10.7270/Q2Z03CKM
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266356 (CHEMBL4074808) Show SMILES CCNC(=O)Nc1cc2c(ccc(Nc3cccnc3)c2cn1)-c1ccncc1 Show InChI InChI=1S/C22H20N6O/c1-2-25-22(29)28-21-12-18-17(15-7-10-23-11-8-15)5-6-20(19(18)14-26-21)27-16-4-3-9-24-13-16/h3-14,27H,2H2,1H3,(H2,25,26,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266349 (CHEMBL4092234) Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)OCCNCC(C)(C)C)c2cn1)-c1ccncc1 Show InChI InChI=1S/C26H34N6O3/c1-5-29-24(33)32-23-14-21-20(18-8-10-27-11-9-18)7-6-19(22(21)16-30-23)15-31-25(34)35-13-12-28-17-26(2,3)4/h6-11,14,16,28H,5,12-13,15,17H2,1-4H3,(H,31,34)(H2,29,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266350 (CHEMBL4091332) Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)OC3CCNCC3(F)F)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C25H28F2N6O3/c1-3-29-23(34)33-22-11-19-18(16-6-9-30-15(2)10-16)5-4-17(20(19)13-31-22)12-32-24(35)36-21-7-8-28-14-25(21,26)27/h4-6,9-11,13,21,28H,3,7-8,12,14H2,1-2H3,(H,32,35)(H2,29,31,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266344 (CHEMBL4061762) Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)OCC#C)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C23H23N5O3/c1-4-10-31-23(30)27-13-17-6-7-18(16-8-9-25-15(3)11-16)19-12-21(26-14-20(17)19)28-22(29)24-5-2/h1,6-9,11-12,14H,5,10,13H2,2-3H3,(H,27,30)(H2,24,26,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266351 (CHEMBL4096181) Show SMILES CCNC(=O)Nc1cc2c(ccc(Cn3ccnn3)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C21H21N7O/c1-3-22-21(29)26-20-11-18-17(15-6-7-23-14(2)10-15)5-4-16(19(18)12-24-20)13-28-9-8-25-27-28/h4-12H,3,13H2,1-2H3,(H2,22,24,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266352 (CHEMBL4086015) Show SMILES CCNC(=O)Nc1cc2c(ccc(Cc3cccc(c3)C(O)=O)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C26H24N4O3/c1-3-27-26(33)30-24-14-22-21(19-9-10-28-16(2)11-19)8-7-18(23(22)15-29-24)12-17-5-4-6-20(13-17)25(31)32/h4-11,13-15H,3,12H2,1-2H3,(H,31,32)(H2,27,29,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266355 (CHEMBL4066198) Show SMILES CCNC(=O)Nc1cc2c(ccc(Nc3cccc(c3)C(O)=O)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C25H23N5O3/c1-3-26-25(33)30-23-13-20-19(16-9-10-27-15(2)11-16)7-8-22(21(20)14-28-23)29-18-6-4-5-17(12-18)24(31)32/h4-14,29H,3H2,1-2H3,(H,31,32)(H2,26,28,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266342 (CHEMBL4101490) Show SMILES CCNC(=O)Nc1cc2c(ccc(Nc3ccc(C)nc3)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C24H24N6O/c1-4-25-24(31)30-23-12-20-19(17-9-10-26-16(3)11-17)7-8-22(21(20)14-28-23)29-18-6-5-15(2)27-13-18/h5-14,29H,4H2,1-3H3,(H2,25,28,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266343 (CHEMBL4078126) Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)OC)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C21H23N5O3/c1-4-22-20(27)26-19-10-17-16(14-7-8-23-13(2)9-14)6-5-15(18(17)12-24-19)11-25-21(28)29-3/h5-10,12H,4,11H2,1-3H3,(H,25,28)(H2,22,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266366 (CHEMBL4091200) Show SMILES CCNC(=O)Nc1cc2c(ccc(COC(=O)N[C@@H]3CCNC[C@H]3F)c2cn1)-c1ccnc(C)c1 |r| Show InChI InChI=1S/C25H29FN6O3/c1-3-28-24(33)32-23-11-19-18(16-6-9-29-15(2)10-16)5-4-17(20(19)12-30-23)14-35-25(34)31-22-7-8-27-13-21(22)26/h4-6,9-12,21-22,27H,3,7-8,13-14H2,1-2H3,(H,31,34)(H2,28,30,32,33)/t21-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266367 (CHEMBL4071960) Show SMILES CCNC(=O)Nc1cc2c(ccc(COC(=O)N[C@@H]3CCNC[C@@H]3F)c2cn1)-c1ccnc(C)c1 |r| Show InChI InChI=1S/C25H29FN6O3/c1-3-28-24(33)32-23-11-19-18(16-6-9-29-15(2)10-16)5-4-17(20(19)12-30-23)14-35-25(34)31-22-7-8-27-13-21(22)26/h4-6,9-12,21-22,27H,3,7-8,13-14H2,1-2H3,(H,31,34)(H2,28,30,32,33)/t21-,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266368 (CHEMBL4098937) Show SMILES CCNC(=O)Nc1cc2c(ccc(COC(=O)NC3CCNCC3)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C25H30N6O3/c1-3-27-24(32)31-23-13-21-20(17-6-11-28-16(2)12-17)5-4-18(22(21)14-29-23)15-34-25(33)30-19-7-9-26-10-8-19/h4-6,11-14,19,26H,3,7-10,15H2,1-2H3,(H,30,33)(H2,27,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266369 (CHEMBL4087439) Show SMILES CCNC(=O)Nc1cc2c(ccc(COC(=O)N3CCN(C)CC3)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C25H30N6O3/c1-4-26-24(32)29-23-14-21-20(18-7-8-27-17(2)13-18)6-5-19(22(21)15-28-23)16-34-25(33)31-11-9-30(3)10-12-31/h5-8,13-15H,4,9-12,16H2,1-3H3,(H2,26,28,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266370 (CHEMBL4081451) Show SMILES CCNC(=O)Nc1cc2c(ccc(COC(=O)N3CCNCC3)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C24H28N6O3/c1-3-26-23(31)29-22-13-20-19(17-6-7-27-16(2)12-17)5-4-18(21(20)14-28-22)15-33-24(32)30-10-8-25-9-11-30/h4-7,12-14,25H,3,8-11,15H2,1-2H3,(H2,26,28,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266375 (CHEMBL4100423) Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(C)=O)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C21H23N5O2/c1-4-22-21(28)26-20-10-18-17(15-7-8-23-13(2)9-15)6-5-16(11-24-14(3)27)19(18)12-25-20/h5-10,12H,4,11H2,1-3H3,(H,24,27)(H2,22,25,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266378 (CHEMBL4066059) Show SMILES Cl.CCNC(=O)Nc1cc2c(ccc(COC(=O)N3CCN(CC4CC4)CC3)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C28H34N6O3/c1-3-29-27(35)32-26-15-24-23(21-8-9-30-19(2)14-21)7-6-22(25(24)16-31-26)18-37-28(36)34-12-10-33(11-13-34)17-20-4-5-20/h6-9,14-16,20H,3-5,10-13,17-18H2,1-2H3,(H2,29,31,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266379 (CHEMBL4083966) Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)CCOC)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C23H27N5O3/c1-4-24-23(30)28-21-12-19-18(16-7-9-25-15(2)11-16)6-5-17(20(19)14-26-21)13-27-22(29)8-10-31-3/h5-7,9,11-12,14H,4,8,10,13H2,1-3H3,(H,27,29)(H2,24,26,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266394 (CHEMBL4070393) Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)OCCOC)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C23H27N5O4/c1-4-24-22(29)28-21-12-19-18(16-7-8-25-15(2)11-16)6-5-17(20(19)14-26-21)13-27-23(30)32-10-9-31-3/h5-8,11-12,14H,4,9-10,13H2,1-3H3,(H,27,30)(H2,24,26,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50330317 (5-Methyl-1H-pyrrole-2-carboxylic acid (3R,4S,5R,6S...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C |r,wU:3.3,13.14,wD:2.1,15.16,(-8.34,-2.73,;-8.34,-1.19,;-7.01,-.42,;-7.01,1.12,;-8.34,1.89,;-9.68,1.12,;-9.68,-.42,;-11.01,1.89,;-11.17,3.42,;-12.68,3.74,;-13.45,2.4,;-14.98,2.24,;-12.42,1.26,;-5.68,1.89,;-5.68,3.43,;-4.34,1.12,;-3.01,1.89,;-1.67,1.12,;-1.67,-.42,;-.34,-1.19,;.99,-.42,;2.33,-1.19,;2.33,-2.73,;3.66,-.42,;4.99,-1.19,;6.33,-.42,;6.33,1.12,;7.66,-1.19,;7.66,-2.73,;8.99,-3.5,;10.33,-2.73,;11.66,-3.5,;10.33,-1.19,;11.66,-.42,;13,-1.19,;14.33,-.42,;15.66,-1.19,;14.33,1.12,;8.99,-.42,;3.66,1.12,;4.99,1.89,;2.33,1.89,;.99,1.12,;-.34,1.89,;-.34,3.43,;-4.34,-.42,;-5.68,-1.19,;-6.67,-2.37,;-4.69,-2.37,)| Show InChI InChI=1S/C35H37ClN2O11/c1-16(2)7-9-18-15-19(10-13-22(18)39)31(42)38-25-26(40)20-11-14-23(24(36)28(20)47-33(25)44)46-34-27(41)29(30(45-6)35(4,5)49-34)48-32(43)21-12-8-17(3)37-21/h7-8,10-15,27,29-30,34,37,39-41H,9H2,1-6H3,(H,38,42)/t27-,29+,30-,34-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Bharathiar University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in relaxation of pBR322 DNA by SDS-PAGE analysis				Bioorg Med Chem 26: 3438-3452 (2018) Article DOI: 10.1016/j.bmc.2018.05.016 BindingDB Entry DOI: 10.7270/Q2125W5H
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572199 (CHEMBL4866999) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3cc(F)c(Br)cc3F)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572201 (CHEMBL4864750) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(I)c(F)c3F)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50406470 (Kibdelomycin) Show SMILES [H][C@@]1(C[C@@](O)([C@H](C)NC(=O)c2[nH]c(C)c(Cl)c2Cl)[C@H](O)[C@@H](C)O1)O[C@@H]1CCC(=C)[C@]2([H])C([C@@H](C)C=C[C@@]12[H])C(\O)=C1/C(=O)[C@H](C(C)C)N([C@H]2O[C@H](C)[C@H](OC(N)=O)[C@H](OC(C)=O)[C@@H]2OC)C1=O |r,c:36| Show InChI InChI=1S/C20H20N6O6/c21-20-25-16-13(18(30)26-20)7-12(9-23-16)22-8-10-1-3-11(4-2-10)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,7,9,14,22H,5-6,8H2,(H,24,29)(H,27,28)(H,31,32)(H3,21,23,25,26,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase				Bioorg Med Chem Lett 22: 7127-30 (2012) Article DOI: 10.1016/j.bmcl.2012.09.071 BindingDB Entry DOI: 10.7270/Q2NP2793
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50572200 (CHEMBL4862951) Show SMILES COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(Br)c(F)c3F)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00345 BindingDB Entry DOI: 10.7270/Q28D012J
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50274131 (CHEMBL4128159) Show SMILES COC1C(F)c2c(OC)c(F)c(OC)c(C(C)=O)c2OC1(C)C Show InChI InChI=1S/C16H20F2O5/c1-7(19)8-12-9(14(21-5)11(18)13(8)20-4)10(17)15(22-6)16(2,3)23-12/h10,15H,1-6H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Bharathiar University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in relaxation of pBR322 DNA by SDS-PAGE analysis				Bioorg Med Chem 26: 3438-3452 (2018) Article DOI: 10.1016/j.bmc.2018.05.016 BindingDB Entry DOI: 10.7270/Q2125W5H
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50494804 (CHEMBL3094361) Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCCC1(C)C(O)=O Show InChI InChI=1S/C25H25N7O3S/c1-3-26-23(35)31-24-30-19-12-15(11-17(20(19)36-24)18-7-4-5-9-27-18)16-13-28-22(29-14-16)32-10-6-8-25(32,2)21(33)34/h4-5,7,9,11-14H,3,6,8,10H2,1-2H3,(H,33,34)(H2,26,30,31,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.93	n/a	n/a	n/a	n/a	n/a	n/a
Biota Holdings Ltd Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay				Bioorg Med Chem Lett 23: 6598-603 (2013) Article DOI: 10.1016/j.bmcl.2013.10.058 BindingDB Entry DOI: 10.7270/Q2HD7ZMQ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50568728 (CHEMBL4850565) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(OCc4cccc(c4)C(O)=O)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50568729 (CHEMBL4868482) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(OCc4ccc(cc4)C(O)=O)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50568730 (CHEMBL4878712) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(OCc4cccs4)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair

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