Compile Data Set for Download or QSAR

Found 170 hits with Last Name = 'ritz' and Initial = 'd'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM25308 ((1-hydroxy-2-{imidazo[1,2-a]pyridin-3-yl}-1-phosph...) Show SMILES OC(Cc1cnc2ccccn12)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human FPPS				Bioorg Med Chem Lett 25: 1117-23 (2015) Article DOI: 10.1016/j.bmcl.2014.12.089 BindingDB Entry DOI: 10.7270/Q25X2BMF
					More data for this Ligand-Target Pair				3D Structure (crystal)
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)	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)	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)	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)	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
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM12578 (2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...) Show SMILES OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human FPPS				Bioorg Med Chem Lett 25: 1117-23 (2015) Article DOI: 10.1016/j.bmcl.2014.12.089 BindingDB Entry DOI: 10.7270/Q25X2BMF
					More data for this Ligand-Target Pair				3D Structure (crystal)
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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM12576 (Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human FPPS				Bioorg Med Chem Lett 25: 1117-23 (2015) Article DOI: 10.1016/j.bmcl.2014.12.089 BindingDB Entry DOI: 10.7270/Q25X2BMF
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266353 (CHEMBL4103934) Show SMILES Cl.CCNC(=O)Nc1cc2c(ccc(Cc3cccnc3)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C24H23N5O/c1-3-26-24(30)29-23-13-21-20(19-8-10-27-16(2)11-19)7-6-18(22(21)15-28-23)12-17-5-4-9-25-14-17/h4-11,13-15H,3,12H2,1-2H3,(H2,26,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	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)	BDBM50266391 (CHEMBL4075854) Show SMILES CCNC(=O)Nc1cc2c(ccc(C)c2cn1)-c1ccc(cc1)C#N Show InChI InChI=1S/C20H18N4O/c1-3-22-20(25)24-19-10-17-16(9-4-13(2)18(17)12-23-19)15-7-5-14(11-21)6-8-15/h4-10,12H,3H2,1-2H3,(H2,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	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)	BDBM50266395 (CHEMBL4093773) Show SMILES CCNC(=O)Nc1cc2c(ccc(Oc3cccnc3)c2cn1)-c1ccncc1 Show InChI InChI=1S/C22H19N5O2/c1-2-25-22(28)27-21-12-18-17(15-7-10-23-11-8-15)5-6-20(19(18)14-26-21)29-16-4-3-9-24-13-16/h3-14H,2H2,1H3,(H2,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	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)	BDBM50266363 (CHEMBL4099715) Show SMILES CCNC(=O)Nc1cc2c(ccc(C)c2cn1)-c1ccncc1 Show InChI InChI=1S/C18H18N4O/c1-3-20-18(23)22-17-10-15-14(13-6-8-19-9-7-13)5-4-12(2)16(15)11-21-17/h4-11H,3H2,1-2H3,(H2,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	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)	BDBM50266360 (CHEMBL4086418) Show SMILES CCNC(=O)Nc1cc2c(ccc(C)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C19H20N4O/c1-4-20-19(24)23-18-10-16-15(14-7-8-21-13(3)9-14)6-5-12(2)17(16)11-22-18/h5-11H,4H2,1-3H3,(H2,20,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	30	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)	BDBM50266376 (CHEMBL4073597) Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)OCCO)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C22H25N5O4/c1-3-23-21(29)27-20-11-18-17(15-6-7-24-14(2)10-15)5-4-16(19(18)13-25-20)12-26-22(30)31-9-8-28/h4-7,10-11,13,28H,3,8-9,12H2,1-2H3,(H,26,30)(H2,23,25,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	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)	BDBM50440303 (CHEMBL2424876) Show SMILES COc1ccc2ncc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4OCCOc4cn3)c2n1 |r| Show InChI InChI=1S/C24H27FN4O6/c1-32-20-5-3-16-22(29-20)21(15(25)10-28-16)24(31)23(30)17-4-2-13(12-35-17)26-9-14-8-18-19(11-27-14)34-7-6-33-18/h3,5,8,10-11,13,17,23-24,26,30-31H,2,4,6-7,9,12H2,1H3/t13-,17+,23-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr				J Med Chem 56: 7396-415 (2013) Article DOI: 10.1021/jm400963y BindingDB Entry DOI: 10.7270/Q2HT2QRV
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50440323 (CHEMBL2424833) Show SMILES COc1ccc2ncc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r| Show InChI InChI=1S/C24H26FN5O5S/c1-34-19-7-4-15-21(30-19)20(14(25)9-27-15)23(33)22(32)16-5-2-13(10-35-16)26-8-12-3-6-17-24(28-12)29-18(31)11-36-17/h3-4,6-7,9,13,16,22-23,26,32-33H,2,5,8,10-11H2,1H3,(H,28,29,31)/t13-,16+,22-,23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr				J Med Chem 56: 7396-415 (2013) Article DOI: 10.1021/jm400963y BindingDB Entry DOI: 10.7270/Q2HT2QRV
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266346 (CHEMBL4077466) Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)OCCNC)c2cn1)-c1ccncc1 Show InChI InChI=1S/C22H26N6O3/c1-3-25-21(29)28-20-12-18-17(15-6-8-24-9-7-15)5-4-16(19(18)14-26-20)13-27-22(30)31-11-10-23-2/h4-9,12,14,23H,3,10-11,13H2,1-2H3,(H,27,30)(H2,25,26,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	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)	BDBM50440322 (CHEMBL2424836) Show SMILES COc1cnc2cccc([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r| Show InChI InChI=1S/C24H27N5O5S/c1-33-20-10-26-16-4-2-3-15(21(16)29-20)22(31)23(32)17-7-5-14(11-34-17)25-9-13-6-8-18-24(27-13)28-19(30)12-35-18/h2-4,6,8,10,14,17,22-23,25,31-32H,5,7,9,11-12H2,1H3,(H,27,28,30)/t14-,17+,22-,23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr				J Med Chem 56: 7396-415 (2013) Article DOI: 10.1021/jm400963y BindingDB Entry DOI: 10.7270/Q2HT2QRV
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50440321 (CHEMBL2424893) Show SMILES COc1ccc2nccc(NC(=O)[C@H]3CC[C@@H](CC3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r,wU:13.12,wD:16.19,(6.06,-13.06,;7.4,-13.83,;7.4,-15.37,;6.08,-16.14,;6.09,-17.67,;7.41,-18.43,;7.41,-19.97,;8.74,-20.74,;10.08,-19.97,;10.07,-18.42,;11.4,-17.64,;12.74,-18.41,;12.75,-19.95,;14.07,-17.63,;14.06,-16.09,;15.39,-15.32,;16.73,-16.09,;16.73,-17.63,;15.4,-18.4,;18.06,-15.32,;19.4,-16.08,;20.73,-15.31,;20.72,-13.78,;22.05,-13.01,;23.39,-13.77,;24.72,-13,;26.05,-13.78,;26.05,-15.32,;27.38,-16.09,;24.72,-16.08,;23.39,-15.32,;22.06,-16.09,;8.74,-17.66,;8.73,-16.13,)| Show InChI InChI=1S/C24H26N6O3S/c1-33-21-9-7-17-22(30-21)18(10-11-25-17)28-24(32)14-2-4-15(5-3-14)26-12-16-6-8-19-23(27-16)29-20(31)13-34-19/h6-11,14-15,26H,2-5,12-13H2,1H3,(H,25,28,32)(H,27,29,31)/t14-,15-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr				J Med Chem 56: 7396-415 (2013) Article DOI: 10.1021/jm400963y BindingDB Entry DOI: 10.7270/Q2HT2QRV
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50395398 (CHEMBL2165064) Show SMILES F[C@@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@@H]1NCc1cc2OCCOc2cn1 |r| Show InChI InChI=1S/C25H26FN5O3/c26-20-16-30(7-8-31-22-11-17(13-27)1-2-18(22)3-4-25(31)32)6-5-21(20)29-14-19-12-23-24(15-28-19)34-10-9-33-23/h1-4,11-12,15,20-21,29H,5-10,14,16H2/t20-,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr				J Med Chem 56: 7396-415 (2013) Article DOI: 10.1021/jm400963y BindingDB Entry DOI: 10.7270/Q2HT2QRV
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50440327 (CHEMBL2424883) Show SMILES COc1ccc2nccc(CC[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r| Show InChI InChI=1S/C24H27N5O3S/c1-31-22-9-7-19-23(29-22)15(10-11-25-19)2-5-18-6-3-17(13-32-18)26-12-16-4-8-20-24(27-16)28-21(30)14-33-20/h4,7-11,17-18,26H,2-3,5-6,12-14H2,1H3,(H,27,28,30)/t17-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr				J Med Chem 56: 7396-415 (2013) Article DOI: 10.1021/jm400963y BindingDB Entry DOI: 10.7270/Q2HT2QRV
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50440326 (CHEMBL2424886) Show SMILES COc1ccc2nccc([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4OCCOc4cn3)c2n1 |r| Show InChI InChI=1S/C24H28N4O6/c1-31-21-5-3-17-22(28-21)16(6-7-25-17)23(29)24(30)18-4-2-14(13-34-18)26-11-15-10-19-20(12-27-15)33-9-8-32-19/h3,5-7,10,12,14,18,23-24,26,29-30H,2,4,8-9,11,13H2,1H3/t14-,18+,23-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr				J Med Chem 56: 7396-415 (2013) Article DOI: 10.1021/jm400963y BindingDB Entry DOI: 10.7270/Q2HT2QRV
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50440309 (CHEMBL2424889) Show SMILES COc1ccc2nccc([C@H](O)[C@@H](O)[C@H]3CC[C@@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r| Show InChI InChI=1S/C24H27N5O5S/c1-33-20-7-4-16-21(29-20)15(8-9-25-16)22(31)23(32)17-5-2-14(11-34-17)26-10-13-3-6-18-24(27-13)28-19(30)12-35-18/h3-4,6-9,14,17,22-23,26,31-32H,2,5,10-12H2,1H3,(H,27,28,30)/t14-,17+,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr				J Med Chem 56: 7396-415 (2013) Article DOI: 10.1021/jm400963y BindingDB Entry DOI: 10.7270/Q2HT2QRV
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50440325 (CHEMBL2424890) Show SMILES COc1ccc2cccc([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r| Show InChI InChI=1S/C25H28N4O5S/c1-33-21-10-5-14-3-2-4-17(22(14)29-21)23(31)24(32)18-8-6-16(12-34-18)26-11-15-7-9-19-25(27-15)28-20(30)13-35-19/h2-5,7,9-10,16,18,23-24,26,31-32H,6,8,11-13H2,1H3,(H,27,28,30)/t16-,18+,23-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr				J Med Chem 56: 7396-415 (2013) Article DOI: 10.1021/jm400963y BindingDB Entry DOI: 10.7270/Q2HT2QRV
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50440324 (CHEMBL2424892) Show SMILES COc1cnc2ccc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r| Show InChI InChI=1S/C24H26FN5O5S/c1-34-19-9-27-15-5-4-14(25)20(21(15)30-19)23(33)22(32)16-6-2-13(10-35-16)26-8-12-3-7-17-24(28-12)29-18(31)11-36-17/h3-5,7,9,13,16,22-23,26,32-33H,2,6,8,10-11H2,1H3,(H,28,29,31)/t13-,16+,22-,23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr				J Med Chem 56: 7396-415 (2013) Article DOI: 10.1021/jm400963y BindingDB Entry DOI: 10.7270/Q2HT2QRV
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50440302 (CHEMBL2424877) Show SMILES COc1ccc2ncc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4SCCOc4cn3)c2n1 |r| Show InChI InChI=1S/C24H27FN4O5S/c1-32-20-5-3-16-22(29-20)21(15(25)10-28-16)24(31)23(30)17-4-2-13(12-34-17)26-9-14-8-19-18(11-27-14)33-6-7-35-19/h3,5,8,10-11,13,17,23-24,26,30-31H,2,4,6-7,9,12H2,1H3/t13-,17+,23-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr				J Med Chem 56: 7396-415 (2013) Article DOI: 10.1021/jm400963y BindingDB Entry DOI: 10.7270/Q2HT2QRV
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50440304 (CHEMBL2424874) Show SMILES COc1cnc2ccc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4SCCOc4cn3)c2n1 |r| Show InChI InChI=1S/C24H27FN4O5S/c1-32-20-11-28-16-4-3-15(25)21(22(16)29-20)24(31)23(30)17-5-2-13(12-34-17)26-9-14-8-19-18(10-27-14)33-6-7-35-19/h3-4,8,10-11,13,17,23-24,26,30-31H,2,5-7,9,12H2,1H3/t13-,17+,23-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr				J Med Chem 56: 7396-415 (2013) Article DOI: 10.1021/jm400963y BindingDB Entry DOI: 10.7270/Q2HT2QRV
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50440312 (CHEMBL2424891) Show SMILES COc1cnc2cccc([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2c1 |r| Show InChI InChI=1S/C25H28N4O5S/c1-33-16-9-18-17(3-2-4-19(18)27-11-16)23(31)24(32)20-7-5-15(12-34-20)26-10-14-6-8-21-25(28-14)29-22(30)13-35-21/h2-4,6,8-9,11,15,20,23-24,26,31-32H,5,7,10,12-13H2,1H3,(H,28,29,30)/t15-,20+,23-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr				J Med Chem 56: 7396-415 (2013) Article DOI: 10.1021/jm400963y BindingDB Entry DOI: 10.7270/Q2HT2QRV
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266392 (CHEMBL4077461) Show SMILES CCNC(=O)Nc1cc2c(ccc(C)c2cn1)-c1cccnc1 Show InChI InChI=1S/C18H18N4O/c1-3-20-18(23)22-17-9-15-14(13-5-4-8-19-10-13)7-6-12(2)16(15)11-21-17/h4-11H,3H2,1-2H3,(H2,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	125	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)	BDBM50266357 (CHEMBL4085057) Show SMILES Cl.CCNC(=O)Nc1cc2c(ccc(C)c2cn1)-c1cnn(C)c1 Show InChI InChI=1S/C17H19N5O/c1-4-18-17(23)21-16-7-14-13(12-8-20-22(3)10-12)6-5-11(2)15(14)9-19-16/h5-10H,4H2,1-3H3,(H2,18,19,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	125	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)	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	125	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				3D Structure (crystal)
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50440321 (CHEMBL2424893) Show SMILES COc1ccc2nccc(NC(=O)[C@H]3CC[C@@H](CC3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r,wU:13.12,wD:16.19,(6.06,-13.06,;7.4,-13.83,;7.4,-15.37,;6.08,-16.14,;6.09,-17.67,;7.41,-18.43,;7.41,-19.97,;8.74,-20.74,;10.08,-19.97,;10.07,-18.42,;11.4,-17.64,;12.74,-18.41,;12.75,-19.95,;14.07,-17.63,;14.06,-16.09,;15.39,-15.32,;16.73,-16.09,;16.73,-17.63,;15.4,-18.4,;18.06,-15.32,;19.4,-16.08,;20.73,-15.31,;20.72,-13.78,;22.05,-13.01,;23.39,-13.77,;24.72,-13,;26.05,-13.78,;26.05,-15.32,;27.38,-16.09,;24.72,-16.08,;23.39,-15.32,;22.06,-16.09,;8.74,-17.66,;8.73,-16.13,)| Show InChI InChI=1S/C24H26N6O3S/c1-33-21-9-7-17-22(30-21)18(10-11-25-17)28-24(32)14-2-4-15(5-3-14)26-12-16-6-8-19-23(27-16)29-20(31)13-34-19/h6-11,14-15,26H,2-5,12-13H2,1H3,(H,25,28,32)(H,27,29,31)/t14-,15-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr				J Med Chem 56: 7396-415 (2013) Article DOI: 10.1021/jm400963y BindingDB Entry DOI: 10.7270/Q2HT2QRV
					More data for this Ligand-Target Pair

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