Compile Data Set for Download or QSAR

Found 141 hits with Last Name = 'english' and Initial = 'a'   

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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50096154 (4b,12-Difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-6b-...) Show SMILES CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)S[C@@H]1CCOC1=O |c:15,t:11| Show InChI InChI=1S/C26H32F2O6S/c1-22(2)33-20-11-14-15-10-17(27)16-9-13(29)5-7-23(16,3)25(15,28)19(30)12-24(14,4)26(20,34-22)35-18-6-8-32-21(18)31/h5,7,9,14-15,17-20,30H,6,8,10-12H2,1-4H3/t14?,15?,17-,18+,19-,20+,23-,24-,25-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Affinity for human glucocorticoid receptor				J Med Chem 44: 602-12 (2001) BindingDB Entry DOI: 10.7270/Q2GM86JV
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50096153 (4b,12-Difluoro-5-hydroxy-4a,6a-dimethyl-6b-(2-oxo-...) Show SMILES CCC[C@@H]1O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)S[C@@H]1CCOC1=O |t:12| Show InChI InChI=1S/C27H36F2O6S/c1-4-5-22-34-21-12-15-16-11-18(28)17-10-14(30)6-8-24(17,2)26(16,29)20(31)13-25(15,3)27(21,35-22)36-19-7-9-33-23(19)32/h10,15-16,18-22,31H,4-9,11-13H2,1-3H3/t15?,16?,18-,19+,20-,21+,22+,24-,25-,26-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Affinity for human glucocorticoid receptor				J Med Chem 44: 602-12 (2001) BindingDB Entry DOI: 10.7270/Q2GM86JV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50462032 (CHEBI:3720 | CHEMBL560739 | US11590142, Compound C...) Show SMILES CO[C@H]1CN(CCCOc2ccc(F)cc2)CC[C@H]1NC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)/t20-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHOK1 cells by patch clamp assay				Bioorg Med Chem Lett 28: 2477-2480 (2018) Article DOI: 10.1016/j.bmcl.2018.06.003 BindingDB Entry DOI: 10.7270/Q2D2218S
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50577575 (CHEMBL4851183) Show SMILES [H][C@@]1(OC[C@@H](CO1)NCc1cc2OCCOc2cn1)[C@@H](O)Cc1c(F)ccc2ccc(OC)nc12 |r,wU:19.22,wD:4.7,1.0,(11.25,-30.96,;9.92,-30.19,;8.58,-29.44,;8.58,-27.9,;9.91,-27.12,;11.25,-27.89,;11.25,-29.43,;9.91,-25.58,;11.24,-24.81,;12.58,-25.58,;13.9,-24.8,;15.23,-25.56,;16.56,-24.79,;17.9,-25.56,;17.9,-27.1,;16.57,-27.87,;15.23,-27.11,;13.91,-27.88,;12.58,-27.12,;9.92,-31.73,;11.27,-32.5,;8.61,-32.51,;8.61,-34.05,;9.94,-34.81,;11.27,-34.03,;9.94,-36.36,;8.62,-37.13,;7.28,-36.37,;5.95,-37.15,;4.62,-36.37,;4.62,-34.83,;3.28,-34.06,;3.28,-32.52,;5.95,-34.06,;7.28,-34.82,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus Gyrase supercoiling activity assessed as reduction in supercoiling pBR322 DNA by measuring relaxation by bromophe...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01250 BindingDB Entry DOI: 10.7270/Q2CN77R0
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50577574 (CHEMBL4872821) Show SMILES [H][C@@]1(OC[C@@H](CO1)NCc1ccc(C)cc1)[C@@H](O)Cc1c(F)cnc2ccc(OC)cc12 |r,wU:16.18,wD:4.7,1.0,(66.94,-11.75,;65.61,-10.99,;64.27,-10.24,;64.27,-8.69,;65.6,-7.92,;66.94,-8.69,;66.94,-10.22,;65.6,-6.38,;66.93,-5.61,;68.27,-6.37,;68.27,-7.91,;69.6,-8.68,;70.93,-7.9,;72.26,-8.67,;70.93,-6.36,;69.59,-5.6,;65.61,-12.53,;66.96,-13.29,;64.3,-13.31,;64.3,-14.85,;65.63,-15.61,;66.96,-14.83,;65.63,-17.16,;64.31,-17.93,;62.97,-17.16,;61.64,-17.94,;60.31,-17.17,;60.31,-15.63,;58.97,-14.86,;58.97,-13.32,;61.64,-14.86,;62.97,-15.62,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus Gyrase supercoiling activity assessed as reduction in supercoiling pBR322 DNA by measuring relaxation by bromophe...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01250 BindingDB Entry DOI: 10.7270/Q2CN77R0
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50577566 (CHEMBL4864841) Show SMILES COc1ccc2ncc(=O)n(CC(O)[C@H]3OC[C@@H](CO3)NCc3ccc4OCCOc4c3)c2c1 |r,wU:14.13,wD:17.20,(36.35,-29.99,;36.35,-31.53,;37.68,-32.3,;37.68,-33.85,;39.01,-34.62,;40.34,-33.84,;41.68,-34.6,;43.01,-33.83,;43.01,-32.28,;44.34,-31.5,;41.67,-31.52,;41.67,-29.98,;42.98,-29.2,;44.33,-29.97,;42.98,-27.66,;41.65,-26.91,;41.65,-25.36,;42.98,-24.59,;44.32,-25.36,;44.32,-26.89,;42.98,-23.05,;44.31,-22.28,;45.65,-23.04,;45.65,-24.58,;46.98,-25.35,;48.3,-24.58,;49.64,-25.34,;50.98,-24.56,;50.98,-23.02,;49.63,-22.25,;48.3,-23.03,;46.97,-22.27,;40.34,-32.29,;39.01,-31.53,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus Gyrase supercoiling activity assessed as reduction in supercoiling pBR322 DNA by measuring relaxation by bromophe...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01250 BindingDB Entry DOI: 10.7270/Q2CN77R0
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50577561 (CHEMBL4854247) Show SMILES COc1ccc2ncc(F)c(C(O)C[C@H]3OC[C@@H](CO3)NCc3ccc4OCCOc4c3)c2n1 |r,wU:14.13,wD:17.20,(21.94,-10.58,;21.94,-12.12,;23.28,-12.89,;23.28,-14.43,;24.61,-15.2,;25.94,-14.42,;27.28,-15.19,;28.6,-14.42,;28.6,-12.87,;29.93,-12.09,;27.27,-12.11,;27.27,-10.57,;25.92,-9.81,;28.58,-9.79,;28.58,-8.25,;27.25,-7.5,;27.25,-5.95,;28.58,-5.18,;29.92,-5.95,;29.92,-7.48,;28.58,-3.64,;29.91,-2.86,;31.24,-3.63,;31.24,-5.17,;32.58,-5.93,;33.9,-5.16,;35.24,-5.93,;36.58,-5.15,;36.58,-3.6,;35.23,-2.83,;33.9,-3.62,;32.57,-2.85,;25.94,-12.88,;24.61,-12.12,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus Gyrase supercoiling activity assessed as reduction in supercoiling pBR322 DNA by measuring relaxation by bromophe...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01250 BindingDB Entry DOI: 10.7270/Q2CN77R0
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50577568 (CHEMBL4877845) Show SMILES [H][C@@]1(OC[C@@H](CO1)NCc1ccc2OCCOc2c1)[C@@H](O)Cc1c(F)cnc2ccc(OC)cc12 |r,wU:19.22,wD:4.7,1.0,(28,-49.92,;26.68,-49.16,;25.33,-48.41,;25.33,-46.86,;26.67,-46.09,;28.01,-46.86,;28.01,-48.39,;26.67,-44.55,;28,-43.78,;29.33,-44.54,;29.33,-46.08,;30.66,-46.85,;31.99,-46.07,;33.32,-46.84,;34.66,-46.07,;34.66,-44.53,;33.32,-43.75,;31.99,-44.53,;30.66,-43.77,;26.68,-50.7,;28.02,-51.46,;25.36,-51.48,;25.36,-53.02,;26.7,-53.78,;28.03,-53,;26.7,-55.33,;25.37,-56.1,;24.04,-55.33,;22.71,-56.11,;21.37,-55.34,;21.37,-53.8,;20.04,-53.03,;20.04,-51.49,;22.7,-53.03,;24.04,-53.79,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus Gyrase supercoiling activity assessed as reduction in supercoiling pBR322 DNA by measuring relaxation by bromophe...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01250 BindingDB Entry DOI: 10.7270/Q2CN77R0
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50577580 (CHEMBL4865826) Show SMILES [H][C@@]1(OC[C@@H](CO1)NCc1cc2OCCOc2cn1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wU:19.22,wD:4.7,1.0,(29.25,-15.08,;27.93,-14.32,;26.58,-13.57,;26.58,-12.02,;27.92,-11.25,;29.26,-12.02,;29.26,-13.55,;27.92,-9.71,;29.25,-8.93,;30.58,-9.7,;31.91,-8.93,;33.24,-9.69,;34.57,-8.91,;35.91,-9.69,;35.91,-11.23,;34.57,-12,;33.24,-11.23,;31.91,-12.01,;30.58,-11.24,;27.93,-15.86,;29.27,-16.62,;26.61,-16.63,;26.61,-18.17,;27.95,-18.93,;29.28,-18.16,;27.95,-20.48,;26.62,-21.26,;25.29,-20.49,;23.95,-21.27,;22.62,-20.5,;22.62,-18.95,;21.29,-18.18,;21.29,-16.64,;23.95,-18.18,;25.29,-18.95,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus Gyrase supercoiling activity assessed as reduction in supercoiling pBR322 DNA by measuring relaxation by bromophe...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01250 BindingDB Entry DOI: 10.7270/Q2CN77R0
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50561963 (CHEMBL4787821) Show SMILES COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NC(=O)c3ccc4OCC(=O)Nc4n3)c2c1 |r,wU:12.11,wD:15.18,(61.61,-32.73,;61.62,-34.26,;62.95,-35.03,;62.95,-36.57,;64.28,-37.34,;65.61,-36.57,;66.95,-37.35,;68.28,-36.57,;68.28,-35.02,;66.94,-34.26,;66.94,-32.72,;68.27,-31.94,;69.61,-32.71,;70.93,-31.92,;72.27,-32.7,;72.27,-34.24,;70.94,-35.01,;69.6,-34.25,;73.6,-35.01,;74.94,-34.24,;74.94,-32.7,;76.27,-35,;76.27,-36.54,;77.6,-37.31,;78.93,-36.54,;80.27,-37.3,;81.61,-36.53,;81.6,-34.98,;82.93,-34.21,;80.26,-34.2,;78.93,-34.99,;77.59,-34.23,;65.61,-35.03,;64.28,-34.26,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase using relaxed pBR322 as substrate by gel electrophoresis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00428 BindingDB Entry DOI: 10.7270/Q2Z89H4G
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50577569 (CHEMBL4853297) Show SMILES [H][C@@]1(OC[C@@H](CO1)NCc1cc2OCCOc2cn1)[C@@H](O)Cc1c(F)cnc2ccc(OC)cc12 |r,wU:19.22,wD:4.7,1.0,(48.24,-49.87,;46.91,-49.11,;45.57,-48.36,;45.57,-46.81,;46.9,-46.04,;48.24,-46.81,;48.24,-48.34,;46.9,-44.5,;48.23,-43.73,;49.57,-44.49,;50.89,-43.72,;52.23,-44.48,;53.55,-43.7,;54.89,-44.48,;54.89,-46.02,;53.56,-46.79,;52.23,-46.02,;50.9,-46.8,;49.57,-46.03,;46.91,-50.65,;48.26,-51.41,;45.6,-51.43,;45.6,-52.97,;46.94,-53.73,;48.27,-52.95,;46.94,-55.28,;45.61,-56.05,;44.27,-55.28,;42.94,-56.06,;41.61,-55.29,;41.61,-53.75,;40.28,-52.98,;40.28,-51.44,;42.94,-52.98,;44.27,-53.74,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus Gyrase supercoiling activity assessed as reduction in supercoiling pBR322 DNA by measuring relaxation by bromophe...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01250 BindingDB Entry DOI: 10.7270/Q2CN77R0
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50577578 (CHEMBL4855186) Show SMILES [H][C@@]1(OC[C@@H](CO1)NCc1ccc(Cl)c(Cl)c1)[C@@H](O)Cc1c(F)ccc2ccc(OC)nc12 |r,wU:17.19,wD:4.7,1.0,(66.27,-31.21,;64.94,-30.44,;63.6,-29.69,;63.6,-28.15,;64.93,-27.37,;66.27,-28.14,;66.27,-29.68,;64.93,-25.83,;66.26,-25.06,;67.6,-25.83,;67.6,-27.37,;68.93,-28.14,;70.25,-27.36,;71.59,-28.12,;70.25,-25.81,;71.59,-25.04,;68.92,-25.05,;64.94,-31.98,;66.29,-32.75,;63.63,-32.76,;63.63,-34.3,;64.96,-35.06,;66.29,-34.28,;64.96,-36.61,;63.64,-37.39,;62.3,-36.62,;60.97,-37.4,;59.64,-36.63,;59.64,-35.08,;58.3,-34.31,;58.3,-32.77,;60.97,-34.31,;62.3,-35.07,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus Gyrase supercoiling activity assessed as reduction in supercoiling pBR322 DNA by measuring relaxation by bromophe...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01250 BindingDB Entry DOI: 10.7270/Q2CN77R0
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50577564 (CHEMBL4859342) Show SMILES COc1ccc2ncc(F)c(C(O)C[C@H]3OC[C@@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r,wU:14.13,wD:17.20,(3.28,-30.86,;3.28,-32.4,;4.61,-33.17,;4.61,-34.72,;5.94,-35.49,;7.27,-34.71,;8.61,-35.48,;9.94,-34.7,;9.94,-33.15,;11.27,-32.37,;8.6,-32.39,;8.6,-30.85,;7.25,-30.09,;9.91,-30.07,;9.91,-28.54,;8.58,-27.78,;8.58,-26.23,;9.91,-25.46,;11.25,-26.23,;11.25,-27.76,;9.91,-23.92,;11.24,-23.15,;12.58,-23.92,;12.58,-25.45,;13.91,-26.22,;15.23,-25.45,;16.57,-26.21,;17.9,-25.44,;17.9,-23.89,;19.23,-23.11,;16.56,-23.12,;15.23,-23.9,;13.9,-23.14,;7.27,-33.17,;5.94,-32.4,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus Gyrase supercoiling activity assessed as reduction in supercoiling pBR322 DNA by measuring relaxation by bromophe...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01250 BindingDB Entry DOI: 10.7270/Q2CN77R0
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50577573 (CHEMBL4875838) Show SMILES [H][C@@]1(OC[C@@H](CO1)NCc1ccc(Cl)c(Cl)c1)[C@@H](O)Cc1c(F)cnc2ccc(OC)cc12 |r,wU:17.19,wD:4.7,1.0,(46.92,-12.03,;45.6,-11.27,;44.25,-10.52,;44.25,-8.97,;45.59,-8.2,;46.93,-8.97,;46.93,-10.5,;45.59,-6.65,;46.92,-5.88,;48.25,-6.65,;48.25,-8.19,;49.59,-8.96,;50.91,-8.18,;52.25,-8.94,;50.91,-6.64,;52.25,-5.86,;49.58,-5.88,;45.6,-12.81,;46.94,-13.57,;44.28,-13.59,;44.28,-15.13,;45.62,-15.89,;46.95,-15.11,;45.62,-17.44,;44.29,-18.21,;42.96,-17.45,;41.62,-18.22,;40.29,-17.45,;40.29,-15.91,;38.96,-15.14,;38.96,-13.6,;41.62,-15.14,;42.96,-15.9,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus Gyrase supercoiling activity assessed as reduction in supercoiling pBR322 DNA by measuring relaxation by bromophe...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01250 BindingDB Entry DOI: 10.7270/Q2CN77R0
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50577570 (CHEMBL4869090) Show SMILES [H][C@@]1(OC[C@@H](CO1)NCc1cc2SCCOc2nn1)[C@@H](O)Cc1c(F)cnc2ccc(OC)cc12 |r,wU:19.22,wD:4.7,1.0,(66.96,-49.85,;65.63,-49.09,;64.29,-48.34,;64.29,-46.8,;65.62,-46.02,;66.96,-46.79,;66.96,-48.32,;65.62,-44.48,;66.95,-43.71,;68.29,-44.48,;69.61,-43.7,;70.95,-44.46,;72.27,-43.69,;73.61,-44.46,;73.61,-46,;72.28,-46.77,;70.95,-46,;69.62,-46.78,;68.29,-46.01,;65.63,-50.63,;66.98,-51.39,;64.32,-51.41,;64.32,-52.95,;65.66,-53.71,;66.98,-52.93,;65.66,-55.26,;64.33,-56.03,;62.99,-55.26,;61.66,-56.04,;60.33,-55.27,;60.33,-53.73,;59,-52.96,;59,-51.42,;61.66,-52.96,;62.99,-53.72,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus Gyrase supercoiling activity assessed as reduction in supercoiling pBR322 DNA by measuring relaxation by bromophe...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01250 BindingDB Entry DOI: 10.7270/Q2CN77R0
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50577579 (CHEMBL4867964) Show SMILES [H][C@@]1(OC[C@@H](CO1)NCc1ccc2OCCOc2c1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wU:19.22,wD:4.7,1.0,(12.1,-14.99,;10.78,-14.23,;9.44,-13.47,;9.44,-11.93,;10.77,-11.15,;12.11,-11.93,;12.11,-13.46,;10.77,-9.61,;12.1,-8.84,;13.43,-9.61,;13.43,-11.15,;14.76,-11.92,;16.09,-11.14,;17.42,-11.9,;18.76,-11.13,;18.76,-9.59,;17.42,-8.82,;16.09,-9.6,;14.76,-8.84,;10.78,-15.77,;12.12,-16.53,;9.46,-16.54,;9.46,-18.08,;10.8,-18.84,;12.13,-18.07,;10.8,-20.39,;9.47,-21.17,;8.14,-20.4,;6.81,-21.18,;5.47,-20.41,;5.47,-18.86,;4.14,-18.09,;4.14,-16.55,;6.8,-18.09,;8.14,-18.86,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus Gyrase supercoiling activity assessed as reduction in supercoiling pBR322 DNA by measuring relaxation by bromophe...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01250 BindingDB Entry DOI: 10.7270/Q2CN77R0
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50561964 (CHEMBL4755744) Show SMILES COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NC(=O)c3ccc4OCC(=O)Nc4c3)c2c1 |r,wU:12.11,wD:15.18,(4.07,-48.98,;4.08,-50.52,;5.41,-51.28,;5.42,-52.83,;6.74,-53.6,;8.07,-52.83,;9.41,-53.6,;10.75,-52.83,;10.74,-51.28,;9.41,-50.52,;9.4,-48.98,;10.73,-48.19,;12.07,-48.96,;13.39,-48.18,;14.73,-48.95,;14.74,-50.5,;13.4,-51.26,;12.07,-50.5,;16.06,-51.26,;17.4,-50.5,;17.4,-48.96,;18.74,-51.26,;18.73,-52.8,;20.07,-53.57,;21.4,-52.79,;22.73,-53.56,;24.07,-52.78,;24.07,-51.24,;25.39,-50.46,;22.72,-50.46,;21.39,-51.25,;20.06,-50.49,;8.08,-51.29,;6.74,-50.52,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase using relaxed pBR322 as substrate by gel electrophoresis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00428 BindingDB Entry DOI: 10.7270/Q2Z89H4G
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50577587 (CHEMBL4869929) Show SMILES [H][C@@]1(OC[C@@H](CO1)NCc1cc2NC(=O)COc2cn1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wU:20.23,wD:4.7,1.0,(11.74,-54.25,;10.42,-53.49,;9.08,-52.74,;9.08,-51.19,;10.41,-50.42,;11.75,-51.19,;11.75,-52.72,;10.41,-48.88,;11.74,-48.1,;13.07,-48.87,;14.4,-48.1,;15.73,-48.86,;17.06,-48.08,;18.4,-48.85,;19.73,-48.08,;18.4,-50.4,;17.06,-51.16,;15.73,-50.4,;14.4,-51.18,;13.07,-50.41,;10.42,-55.03,;11.76,-55.79,;9.11,-55.8,;9.11,-57.34,;10.44,-58.1,;11.77,-57.33,;10.44,-59.65,;9.12,-60.43,;7.78,-59.66,;6.45,-60.44,;5.12,-59.67,;5.12,-58.12,;3.78,-57.35,;3.78,-55.81,;6.44,-57.35,;7.78,-58.12,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus Gyrase supercoiling activity assessed as reduction in supercoiling pBR322 DNA by measuring relaxation by bromophe...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01250 BindingDB Entry DOI: 10.7270/Q2CN77R0
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50577554 (CHEMBL4877359) Show SMILES COc1ccc2ncc(F)c(C(O)C[C@H]3OC[C@@H](CO3)NCc3ccc4OCCOc4c3)c2c1 |r,wU:14.13,wD:17.20,(37.79,-32.58,;37.79,-34.12,;39.12,-34.89,;39.12,-36.43,;40.45,-37.21,;41.78,-36.43,;43.12,-37.19,;44.45,-36.42,;44.45,-34.87,;45.77,-34.09,;43.11,-34.11,;43.11,-32.57,;41.76,-31.81,;44.42,-31.79,;44.42,-30.25,;43.09,-29.5,;43.09,-27.95,;44.42,-27.18,;45.76,-27.95,;45.76,-29.48,;44.42,-25.64,;45.75,-24.87,;47.09,-25.63,;47.09,-27.17,;48.42,-27.94,;49.74,-27.17,;51.08,-27.94,;52.42,-27.16,;52.42,-25.61,;51.08,-24.84,;49.74,-25.62,;48.41,-24.86,;41.78,-34.88,;40.45,-34.12,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus Gyrase supercoiling activity assessed as reduction in supercoiling pBR322 DNA by measuring relaxation by bromophe...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01250 BindingDB Entry DOI: 10.7270/Q2CN77R0
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50577572 (CHEMBL4867350) Show SMILES [H][C@@]1(OC[C@@H](CO1)NCc1ccc2OCC(=O)Nc2n1)[C@@H](O)Cc1c(F)cnc2ccc(OC)cc12 |r,wU:20.23,wD:4.7,1.0,(27.63,-11.49,;26.31,-10.72,;24.97,-9.97,;24.97,-8.43,;26.3,-7.65,;27.64,-8.42,;27.64,-9.96,;26.3,-6.11,;27.63,-5.34,;28.96,-6.11,;28.96,-7.65,;30.29,-8.42,;31.62,-7.64,;32.95,-8.4,;34.29,-7.63,;34.29,-6.09,;35.62,-5.32,;32.95,-5.32,;31.62,-6.1,;30.29,-5.33,;26.31,-12.26,;27.65,-13.03,;25,-13.04,;25,-14.58,;26.33,-15.34,;27.66,-14.56,;26.33,-16.89,;25.01,-17.66,;23.67,-16.9,;22.34,-17.68,;21.01,-16.91,;21.01,-15.36,;19.67,-14.59,;19.67,-13.05,;22.33,-14.59,;23.67,-15.35,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus Gyrase supercoiling activity assessed as reduction in supercoiling pBR322 DNA by measuring relaxation by bromophe...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01250 BindingDB Entry DOI: 10.7270/Q2CN77R0
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50577577 (CHEMBL4848487) Show SMILES [H][C@@]1(OC[C@@H](CO1)NCc1ccc2OCC(=O)Nc2n1)[C@@H](O)Cc1c(F)ccc2ccc(OC)nc12 |r,wU:20.23,wD:4.7,1.0,(44.26,-30.26,;42.93,-29.49,;41.59,-28.74,;41.59,-27.2,;42.92,-26.42,;44.26,-27.19,;44.26,-28.72,;42.92,-24.88,;44.25,-24.11,;45.58,-24.88,;45.58,-26.41,;46.92,-27.18,;48.24,-26.4,;49.57,-27.17,;50.91,-26.4,;50.91,-24.86,;52.24,-24.09,;49.57,-24.09,;48.24,-24.86,;46.91,-24.1,;42.93,-31.03,;44.28,-31.79,;41.62,-31.81,;41.62,-33.35,;42.95,-34.11,;44.28,-33.33,;42.95,-35.66,;41.63,-36.43,;40.29,-35.67,;38.96,-36.44,;37.63,-35.67,;37.63,-34.13,;36.29,-33.36,;36.29,-31.82,;38.95,-33.36,;40.29,-34.12,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus Gyrase supercoiling activity assessed as reduction in supercoiling pBR322 DNA by measuring relaxation by bromophe...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01250 BindingDB Entry DOI: 10.7270/Q2CN77R0
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50577585 (CHEMBL4856026) Show SMILES [H][C@@]1(OC[C@@H](CO1)NCc1cc2SCOc2cn1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wU:18.21,wD:4.7,1.0,(46.47,-34.25,;45.15,-33.49,;43.8,-32.74,;43.8,-31.19,;45.14,-30.42,;46.48,-31.19,;46.48,-32.72,;45.14,-28.88,;46.47,-28.11,;47.8,-28.87,;49.12,-28.1,;50.46,-28.85,;51.94,-28.38,;52.85,-29.63,;51.93,-30.88,;50.46,-30.4,;49.13,-31.18,;47.8,-30.41,;45.15,-35.03,;46.49,-35.79,;43.83,-35.81,;43.83,-37.35,;45.17,-38.11,;46.5,-37.33,;45.17,-39.66,;43.84,-40.43,;42.51,-39.66,;41.17,-40.44,;39.84,-39.67,;39.84,-38.13,;38.51,-37.36,;38.51,-35.82,;41.17,-37.36,;42.51,-38.12,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus Gyrase supercoiling activity assessed as reduction in supercoiling pBR322 DNA by measuring relaxation by bromophe...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01250 BindingDB Entry DOI: 10.7270/Q2CN77R0
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50462044 (CHEMBL4229089) Show SMILES COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NCc3ccc4OCCOc4c3)c2c1 |r,wU:12.11,wD:15.18,(3.21,-3.06,;3.21,-4.6,;4.54,-5.37,;4.53,-6.91,;5.87,-7.68,;7.2,-6.9,;8.54,-7.67,;9.87,-6.89,;9.86,-5.35,;8.53,-4.59,;8.52,-3.05,;9.85,-2.27,;11.19,-3.04,;12.51,-2.26,;13.84,-3.03,;13.84,-4.57,;12.51,-5.34,;11.18,-4.58,;15.18,-5.34,;16.51,-4.57,;17.84,-5.33,;17.84,-6.87,;19.17,-7.64,;20.5,-6.86,;21.83,-7.63,;23.16,-6.85,;23.16,-5.31,;21.82,-4.54,;20.5,-5.32,;19.16,-4.56,;7.2,-5.36,;5.86,-4.6,)| Show InChI InChI=1S/C25H28N2O5/c1-28-20-4-5-22-21(13-20)18(8-9-26-22)3-7-25-31-15-19(16-32-25)27-14-17-2-6-23-24(12-17)30-11-10-29-23/h2,4-6,8-9,12-13,19,25,27H,3,7,10-11,14-16H2,1H3/t19-,25-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase supercoiling activity using pBR322 as substrate after 30 mins by agarose gel electrophoresis				Bioorg Med Chem Lett 28: 2477-2480 (2018) Article DOI: 10.1016/j.bmcl.2018.06.003 BindingDB Entry DOI: 10.7270/Q2D2218S
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50577560 (CHEMBL4876514) Show SMILES COc1ccc2ncc(F)c(C(O)C[C@H]3OC[C@@H](CO3)NCc3ccc(C)cc3)c2c1 |r,wU:14.13,wD:17.20,(4.55,-10.22,;4.55,-11.76,;5.89,-12.53,;5.89,-14.08,;7.22,-14.85,;8.55,-14.07,;9.89,-14.84,;11.21,-14.06,;11.21,-12.51,;12.54,-11.73,;9.88,-11.75,;9.88,-10.21,;8.53,-9.45,;11.19,-9.43,;11.19,-7.89,;9.85,-7.14,;9.85,-5.59,;11.19,-4.82,;12.53,-5.59,;12.53,-7.12,;11.19,-3.28,;12.52,-2.51,;13.85,-3.27,;13.85,-4.81,;15.18,-5.58,;16.51,-4.81,;17.85,-5.57,;16.51,-3.26,;15.18,-2.5,;8.55,-12.52,;7.21,-11.76,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus Gyrase supercoiling activity assessed as reduction in supercoiling pBR322 DNA by measuring relaxation by bromophe...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01250 BindingDB Entry DOI: 10.7270/Q2CN77R0
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50577576 (CHEMBL4862813) Show SMILES [H][C@@]1(OC[C@@H](CO1)NCc1cc2SCCOc2nn1)[C@@H](O)Cc1c(F)ccc2ccc(OC)nc12 |r,wU:19.22,wD:4.7,1.0,(27.35,-30.81,;26.02,-30.04,;24.68,-29.29,;24.68,-27.75,;26.01,-26.97,;27.35,-27.74,;27.35,-29.28,;26.01,-25.43,;27.34,-24.66,;28.68,-25.43,;30,-24.65,;31.33,-25.42,;32.66,-24.64,;34,-25.41,;34,-26.95,;32.66,-27.72,;31.33,-26.96,;30.01,-27.74,;28.68,-26.97,;26.02,-31.58,;27.37,-32.35,;24.71,-32.36,;24.71,-33.9,;26.04,-34.66,;27.37,-33.88,;26.04,-36.21,;24.72,-36.98,;23.38,-36.22,;22.05,-37,;20.72,-36.23,;20.72,-34.68,;19.38,-33.91,;19.38,-32.37,;22.05,-33.91,;23.38,-34.67,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus Gyrase supercoiling activity assessed as reduction in supercoiling pBR322 DNA by measuring relaxation by bromophe...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01250 BindingDB Entry DOI: 10.7270/Q2CN77R0
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50561966 (CHEMBL4759626) Show SMILES COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NC(=O)c3ccc4SCC(=O)Nc4c3)c2c1 |r,wU:12.11,wD:15.18,(61.72,-49.58,;61.72,-51.11,;63.06,-51.88,;63.06,-53.43,;64.38,-54.2,;65.71,-53.42,;67.05,-54.2,;68.39,-53.42,;68.38,-51.87,;67.05,-51.11,;67.04,-49.57,;68.37,-48.79,;69.71,-49.56,;71.03,-48.77,;72.37,-49.55,;72.38,-51.09,;71.04,-51.86,;69.71,-51.1,;73.71,-51.86,;75.04,-51.09,;75.04,-49.55,;76.38,-51.86,;76.37,-53.4,;77.71,-54.16,;79.04,-53.39,;80.37,-54.15,;81.71,-53.38,;81.71,-51.83,;83.03,-51.06,;80.36,-51.06,;79.03,-51.84,;77.7,-51.08,;65.72,-51.88,;64.39,-51.11,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase using relaxed pBR322 as substrate by gel electrophoresis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00428 BindingDB Entry DOI: 10.7270/Q2Z89H4G
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50577581 (CHEMBL4874489) Show SMILES [H][C@@]1(OC[C@@H](CO1)NCc1cc2CCCOc2cn1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wU:19.22,wD:4.7,1.0,(46.4,-15.49,;45.08,-14.72,;43.73,-13.97,;43.73,-12.43,;45.07,-11.65,;46.41,-12.42,;46.41,-13.95,;45.07,-10.11,;46.4,-9.34,;47.73,-10.11,;49.05,-9.33,;50.39,-10.09,;51.72,-9.32,;53.06,-10.09,;53.06,-11.63,;51.72,-12.4,;50.39,-11.63,;49.06,-12.41,;47.73,-11.65,;45.08,-16.26,;46.42,-17.02,;43.76,-17.04,;43.76,-18.58,;45.1,-19.34,;46.43,-18.56,;45.1,-20.89,;43.77,-21.66,;42.44,-20.9,;41.1,-21.67,;39.77,-20.9,;39.77,-19.36,;38.44,-18.59,;38.44,-17.05,;41.1,-18.59,;42.44,-19.35,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus Gyrase supercoiling activity assessed as reduction in supercoiling pBR322 DNA by measuring relaxation by bromophe...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01250 BindingDB Entry DOI: 10.7270/Q2CN77R0
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50577562 (CHEMBL4846316) Show SMILES COc1ccc2ncc(F)c(C(O)C[C@H]3OC[C@@H](CO3)NCc3cc4OCCOc4cn3)c2n1 |r,wU:14.13,wD:17.20,(36.93,-10.75,;36.93,-12.29,;38.26,-13.06,;38.26,-14.6,;39.6,-15.37,;40.93,-14.6,;42.27,-15.36,;43.59,-14.59,;43.59,-13.04,;44.92,-12.26,;42.25,-12.28,;42.25,-10.74,;40.91,-9.98,;43.57,-9.96,;43.57,-8.42,;42.23,-7.67,;42.23,-6.12,;43.57,-5.35,;44.9,-6.12,;44.9,-7.65,;43.57,-3.81,;44.9,-3.04,;46.23,-3.8,;47.55,-3.02,;48.88,-3.79,;50.21,-3,;51.57,-3.77,;51.57,-5.32,;50.23,-6.1,;48.88,-5.34,;47.56,-6.11,;46.23,-5.34,;40.93,-13.05,;39.59,-12.29,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus Gyrase supercoiling activity assessed as reduction in supercoiling pBR322 DNA by measuring relaxation by bromophe...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01250 BindingDB Entry DOI: 10.7270/Q2CN77R0
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50577559 (CHEMBL4863171) Show SMILES COc1ccc2ncc(F)c(C(O)C[C@H]3OC[C@@H](CO3)NCc3ccc(Cl)c(Cl)c3)c2c1 |r,wU:14.13,wD:17.20,(59.06,-54.96,;59.06,-56.5,;60.39,-57.27,;60.39,-58.81,;61.72,-59.58,;63.06,-58.8,;64.39,-59.57,;65.72,-58.8,;65.72,-57.25,;67.05,-56.47,;64.38,-56.49,;64.38,-54.95,;63.04,-54.18,;65.7,-54.17,;65.7,-52.63,;64.36,-51.88,;64.36,-50.33,;65.7,-49.55,;67.04,-50.33,;67.04,-51.86,;65.7,-48.01,;67.03,-47.24,;68.36,-48.01,;68.36,-49.54,;69.7,-50.31,;71.02,-49.54,;72.36,-50.31,;71.02,-47.99,;72.35,-47.22,;69.69,-47.23,;63.06,-57.26,;61.72,-56.5,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus Gyrase supercoiling activity assessed as reduction in supercoiling pBR322 DNA by measuring relaxation by bromophe...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01250 BindingDB Entry DOI: 10.7270/Q2CN77R0
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50577589 (CHEMBL4869986) Show SMILES [H][C@@]1(OC[C@@H](CO1)NCc1ccc(Cl)c(Cl)c1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wU:17.19,wD:4.7,1.0,(50.13,-53.68,;48.8,-52.92,;47.46,-52.17,;47.46,-50.62,;48.79,-49.85,;50.13,-50.62,;50.13,-52.15,;48.79,-48.31,;50.12,-47.54,;51.46,-48.3,;51.46,-49.84,;52.79,-50.61,;54.12,-49.84,;55.46,-50.6,;54.12,-48.29,;55.44,-47.51,;52.78,-47.53,;48.8,-54.46,;50.15,-55.22,;47.49,-55.23,;47.49,-56.77,;48.82,-57.54,;50.15,-56.76,;48.82,-59.08,;47.5,-59.86,;46.16,-59.09,;44.83,-59.87,;43.5,-59.1,;43.5,-57.55,;42.16,-56.79,;42.16,-55.25,;44.83,-56.78,;46.16,-57.55,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus Gyrase supercoiling activity assessed as reduction in supercoiling pBR322 DNA by measuring relaxation by bromophe...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01250 BindingDB Entry DOI: 10.7270/Q2CN77R0
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50577588 (CHEMBL4875924) Show SMILES [H][C@@]1(OC[C@@H](CO1)NCc1cc2NC(=O)CSc2cn1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wU:20.23,wD:4.7,1.0,(30.53,-53.76,;29.2,-53,;27.86,-52.24,;27.86,-50.7,;29.19,-49.93,;30.53,-50.7,;30.53,-52.23,;29.19,-48.39,;30.52,-47.61,;31.86,-48.38,;33.18,-47.61,;34.51,-48.37,;35.84,-47.59,;37.18,-48.36,;38.51,-47.59,;37.18,-49.91,;35.85,-50.67,;34.51,-49.91,;33.19,-50.69,;31.86,-49.92,;29.2,-54.54,;30.55,-55.3,;27.89,-55.31,;27.89,-56.85,;29.22,-57.61,;30.55,-56.83,;29.22,-59.16,;27.9,-59.94,;26.56,-59.17,;25.23,-59.95,;23.9,-59.18,;23.9,-57.63,;22.56,-56.86,;22.56,-55.32,;25.23,-56.86,;26.56,-57.63,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus Gyrase supercoiling activity assessed as reduction in supercoiling pBR322 DNA by measuring relaxation by bromophe...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01250 BindingDB Entry DOI: 10.7270/Q2CN77R0
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50577590 (CHEMBL4868523) Show SMILES [H][C@@]1(OC[C@@H](CO1)NCc1ccc(C)cc1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wU:16.18,wD:4.7,1.0,(67.04,-52.95,;65.71,-52.19,;64.37,-51.44,;64.37,-49.89,;65.7,-49.12,;67.04,-49.89,;67.04,-51.42,;65.7,-47.58,;67.03,-46.8,;68.37,-47.57,;68.37,-49.11,;69.7,-49.88,;71.03,-49.11,;72.37,-49.87,;71.03,-47.56,;69.69,-46.8,;65.71,-53.73,;67.06,-54.49,;64.4,-54.5,;64.4,-56.04,;65.73,-56.8,;67.06,-56.03,;65.73,-58.35,;64.41,-59.13,;63.07,-58.36,;61.74,-59.14,;60.41,-58.37,;60.41,-56.82,;59.07,-56.05,;59.07,-54.51,;61.74,-56.05,;63.07,-56.82,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus Gyrase supercoiling activity assessed as reduction in supercoiling pBR322 DNA by measuring relaxation by bromophe...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01250 BindingDB Entry DOI: 10.7270/Q2CN77R0
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50561965 (CHEMBL4787145) Show SMILES COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NC(=O)c3ccc4SCC(=O)Nc4n3)c2c1 |r,wU:12.11,wD:15.18,(32.16,-49.84,;32.16,-51.37,;33.5,-52.14,;33.5,-53.68,;34.82,-54.45,;36.15,-53.68,;37.49,-54.46,;38.83,-53.68,;38.82,-52.13,;37.49,-51.37,;37.48,-49.83,;38.81,-49.05,;40.15,-49.82,;41.47,-49.03,;42.81,-49.81,;42.82,-51.35,;41.48,-52.12,;40.15,-51.35,;44.15,-52.12,;45.48,-51.35,;45.48,-49.81,;46.82,-52.11,;46.81,-53.65,;48.15,-54.42,;49.48,-53.65,;50.81,-54.41,;52.15,-53.63,;52.15,-52.09,;53.47,-51.32,;50.8,-51.31,;49.47,-52.1,;48.14,-51.34,;36.16,-52.14,;34.83,-51.37,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase using relaxed pBR322 as substrate by gel electrophoresis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00428 BindingDB Entry DOI: 10.7270/Q2Z89H4G
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50050549 (GSK2140944 | Gepotidacin) Show SMILES O=c1ccc2ncc(=O)n3[C@H](CN4CCC(CC4)NCc4cc5CCCOc5cn4)Cn1c23 |r| Show InChI InChI=1S/C24H28N6O3/c31-22-4-3-20-24-29(22)15-19(30(24)23(32)13-27-20)14-28-7-5-17(6-8-28)25-11-18-10-16-2-1-9-33-21(16)12-26-18/h3-4,10,12-13,17,19,25H,1-2,5-9,11,14-15H2/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus Gyrase supercoiling activity assessed as reduction in supercoiling pBR322 DNA by measuring relaxation by bromophe...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01250 BindingDB Entry DOI: 10.7270/Q2CN77R0
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50577567 (CHEMBL4861334) Show SMILES COc1ccc2ncc(=O)n(CC(O)[C@H]3OC[C@@H](CO3)NCc3cc4OCCOc4cn3)c2n1 |r,wU:14.13,wD:17.20,(54.83,-29.87,;54.83,-31.4,;56.16,-32.17,;56.16,-33.72,;57.5,-34.49,;58.83,-33.71,;60.17,-34.48,;61.49,-33.7,;61.49,-32.15,;62.82,-31.38,;60.15,-31.39,;60.15,-29.85,;61.47,-29.08,;62.82,-29.85,;61.47,-27.54,;60.13,-26.78,;60.13,-25.24,;61.47,-24.46,;62.8,-25.23,;62.8,-26.77,;61.47,-22.92,;62.8,-22.15,;64.13,-22.92,;65.45,-22.14,;66.78,-22.9,;68.11,-22.12,;69.47,-22.89,;69.47,-24.44,;68.13,-25.21,;66.78,-24.45,;65.46,-25.22,;64.13,-24.45,;58.83,-32.17,;57.49,-31.4,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus Gyrase supercoiling activity assessed as reduction in supercoiling pBR322 DNA by measuring relaxation by bromophe...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01250 BindingDB Entry DOI: 10.7270/Q2CN77R0
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50561963 (CHEMBL4787821) Show SMILES COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NC(=O)c3ccc4OCC(=O)Nc4n3)c2c1 |r,wU:12.11,wD:15.18,(61.61,-32.73,;61.62,-34.26,;62.95,-35.03,;62.95,-36.57,;64.28,-37.34,;65.61,-36.57,;66.95,-37.35,;68.28,-36.57,;68.28,-35.02,;66.94,-34.26,;66.94,-32.72,;68.27,-31.94,;69.61,-32.71,;70.93,-31.92,;72.27,-32.7,;72.27,-34.24,;70.94,-35.01,;69.6,-34.25,;73.6,-35.01,;74.94,-34.24,;74.94,-32.7,;76.27,-35,;76.27,-36.54,;77.6,-37.31,;78.93,-36.54,;80.27,-37.3,;81.61,-36.53,;81.6,-34.98,;82.93,-34.21,;80.26,-34.2,;78.93,-34.99,;77.59,-34.23,;65.61,-35.03,;64.28,-34.26,)| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus topoisomerase-4 assessed as reduction in decatenation of kinetoplast DNA agarose gel electrophoresis method				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00428 BindingDB Entry DOI: 10.7270/Q2Z89H4G
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50577565 (CHEMBL4850745) Show SMILES COc1ccc2ncc(F)c(C(O)C[C@H]3OC[C@@H](CO3)NCc3ccc(Cl)c(Cl)c3)c2n1 |r,wU:14.13,wD:17.20,(20.71,-30.05,;20.71,-31.59,;22.04,-32.36,;22.04,-33.9,;23.37,-34.67,;24.7,-33.89,;26.04,-34.66,;27.37,-33.88,;27.37,-32.34,;28.69,-31.56,;26.03,-31.58,;26.03,-30.04,;24.68,-29.27,;27.34,-29.26,;27.34,-27.72,;26.01,-26.96,;26.01,-25.42,;27.34,-24.64,;28.68,-25.41,;28.68,-26.95,;27.34,-23.1,;28.67,-22.33,;30.01,-23.1,;30.01,-24.63,;31.34,-25.4,;32.66,-24.63,;34,-25.4,;32.66,-23.08,;33.99,-22.31,;31.33,-22.32,;24.7,-32.35,;23.37,-31.58,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus Gyrase supercoiling activity assessed as reduction in supercoiling pBR322 DNA by measuring relaxation by bromophe...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01250 BindingDB Entry DOI: 10.7270/Q2CN77R0
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50577582 (CHEMBL4852949) Show SMILES [H][C@@]1(OC[C@@H](CO1)NCc1cc2SCCOc2nn1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wU:19.22,wD:4.7,1.0,(68.73,-15.28,;67.41,-14.52,;66.06,-13.77,;66.06,-12.22,;67.4,-11.45,;68.74,-12.22,;68.74,-13.75,;67.4,-9.91,;68.73,-9.14,;70.06,-9.9,;71.38,-9.13,;72.72,-9.89,;74.05,-9.11,;75.39,-9.89,;75.39,-11.43,;74.05,-12.2,;72.72,-11.43,;71.39,-12.21,;70.06,-11.44,;67.41,-16.06,;68.75,-16.82,;66.09,-16.84,;66.09,-18.38,;67.43,-19.14,;68.76,-18.36,;67.43,-20.69,;66.1,-21.46,;64.77,-20.69,;63.43,-21.47,;62.1,-20.7,;62.1,-19.16,;60.77,-18.39,;60.77,-16.85,;63.43,-18.39,;64.77,-19.15,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus Gyrase supercoiling activity assessed as reduction in supercoiling pBR322 DNA by measuring relaxation by bromophe...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01250 BindingDB Entry DOI: 10.7270/Q2CN77R0
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50577563 (CHEMBL4847286) Show SMILES COc1ccc2ncc(F)c(C(O)C[C@H]3OC[C@@H](CO3)NCc3cc4SCCOc4nn3)c2n1 |r,wU:14.13,wD:17.20,(55.94,-10.75,;55.94,-12.29,;57.27,-13.06,;57.27,-14.6,;58.6,-15.37,;59.94,-14.6,;61.27,-15.36,;62.6,-14.59,;62.6,-13.04,;63.93,-12.26,;61.26,-12.28,;61.26,-10.74,;59.92,-9.98,;62.58,-9.96,;62.58,-8.42,;61.24,-7.67,;61.24,-6.12,;62.57,-5.35,;63.91,-6.12,;63.91,-7.65,;62.57,-3.81,;63.9,-3.03,;65.24,-3.8,;66.56,-3.02,;67.89,-3.79,;69.22,-3,;70.57,-3.77,;70.57,-5.32,;69.24,-6.1,;67.89,-5.34,;66.57,-6.11,;65.24,-5.34,;59.94,-13.05,;58.6,-12.29,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus Gyrase supercoiling activity assessed as reduction in supercoiling pBR322 DNA by measuring relaxation by bromophe...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01250 BindingDB Entry DOI: 10.7270/Q2CN77R0
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50462030 (CHEMBL4228889) Show SMILES COc1ccc2nccc(CC[C@H]3CC[C@@H](CC3)NCc3ccc4OCCOc4c3)c2c1 |r,wU:12.11,wD:15.18,(3.22,-39.28,;3.22,-40.82,;4.54,-41.58,;4.54,-43.13,;5.88,-43.9,;7.21,-43.12,;8.55,-43.89,;9.88,-43.11,;9.87,-41.56,;8.54,-40.81,;8.53,-39.27,;9.86,-38.49,;11.2,-39.26,;12.52,-38.47,;13.85,-39.25,;13.85,-40.79,;12.53,-41.56,;11.19,-40.8,;15.19,-41.55,;16.52,-40.79,;17.85,-41.55,;17.85,-43.09,;19.18,-43.86,;20.51,-43.08,;21.84,-43.84,;23.17,-43.07,;23.17,-41.53,;21.83,-40.76,;20.51,-41.54,;19.17,-40.78,;7.21,-41.58,;5.87,-40.82,)| Show InChI InChI=1S/C27H32N2O3/c1-30-23-9-10-25-24(17-23)21(12-13-28-25)6-2-19-3-7-22(8-4-19)29-18-20-5-11-26-27(16-20)32-15-14-31-26/h5,9-13,16-17,19,22,29H,2-4,6-8,14-15,18H2,1H3/t19-,22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHOK1 cells by patch clamp assay				Bioorg Med Chem Lett 28: 2477-2480 (2018) Article DOI: 10.1016/j.bmcl.2018.06.003 BindingDB Entry DOI: 10.7270/Q2D2218S
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50462036 (CHEMBL4226251) Show SMILES COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NCc3ccc(Cl)c(Cl)c3)c2c1 |r,wU:12.11,wD:15.18,(24.65,-19.73,;24.65,-21.27,;25.97,-22.03,;25.97,-23.58,;27.31,-24.35,;28.64,-23.57,;29.98,-24.34,;31.31,-23.56,;31.3,-22.01,;29.97,-21.26,;29.96,-19.72,;31.29,-18.94,;32.63,-19.7,;33.95,-18.92,;35.28,-19.7,;35.28,-21.24,;33.96,-22,;32.63,-21.24,;36.62,-22,;37.95,-21.23,;39.29,-22,;39.28,-23.53,;40.61,-24.31,;41.94,-23.52,;43.27,-24.28,;41.94,-21.98,;43.26,-21.21,;40.61,-21.23,;28.64,-22.02,;27.3,-21.27,)| Show InChI InChI=1S/C23H24Cl2N2O3/c1-28-18-4-6-22-19(11-18)16(8-9-26-22)3-7-23-29-13-17(14-30-23)27-12-15-2-5-20(24)21(25)10-15/h2,4-6,8-11,17,23,27H,3,7,12-14H2,1H3/t17-,23-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase supercoiling activity using pBR322 as substrate after 30 mins by agarose gel electrophoresis				Bioorg Med Chem Lett 28: 2477-2480 (2018) Article DOI: 10.1016/j.bmcl.2018.06.003 BindingDB Entry DOI: 10.7270/Q2D2218S
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50096155 (2-(4b,12-Difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-...) Show SMILES CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)SC(CCO)C(O)=O |c:15,t:11| Show InChI InChI=1S/C26H34F2O7S/c1-22(2)34-20-11-14-15-10-17(27)16-9-13(30)5-7-23(16,3)25(15,28)19(31)12-24(14,4)26(20,35-22)36-18(6-8-29)21(32)33/h5,7,9,14-15,17-20,29,31H,6,8,10-12H2,1-4H3,(H,32,33)/t14?,15?,17-,18?,19-,20+,23-,24-,25-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	289	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Affinity for human glucocorticoid receptor				J Med Chem 44: 602-12 (2001) BindingDB Entry DOI: 10.7270/Q2GM86JV
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50561965 (CHEMBL4787145) Show SMILES COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NC(=O)c3ccc4SCC(=O)Nc4n3)c2c1 |r,wU:12.11,wD:15.18,(32.16,-49.84,;32.16,-51.37,;33.5,-52.14,;33.5,-53.68,;34.82,-54.45,;36.15,-53.68,;37.49,-54.46,;38.83,-53.68,;38.82,-52.13,;37.49,-51.37,;37.48,-49.83,;38.81,-49.05,;40.15,-49.82,;41.47,-49.03,;42.81,-49.81,;42.82,-51.35,;41.48,-52.12,;40.15,-51.35,;44.15,-52.12,;45.48,-51.35,;45.48,-49.81,;46.82,-52.11,;46.81,-53.65,;48.15,-54.42,;49.48,-53.65,;50.81,-54.41,;52.15,-53.63,;52.15,-52.09,;53.47,-51.32,;50.8,-51.31,;49.47,-52.1,;48.14,-51.34,;36.16,-52.14,;34.83,-51.37,)| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus topoisomerase-4 assessed as reduction in decatenation of kinetoplast DNA agarose gel electrophoresis method				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00428 BindingDB Entry DOI: 10.7270/Q2Z89H4G
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50577588 (CHEMBL4875924) Show SMILES [H][C@@]1(OC[C@@H](CO1)NCc1cc2NC(=O)CSc2cn1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wU:20.23,wD:4.7,1.0,(30.53,-53.76,;29.2,-53,;27.86,-52.24,;27.86,-50.7,;29.19,-49.93,;30.53,-50.7,;30.53,-52.23,;29.19,-48.39,;30.52,-47.61,;31.86,-48.38,;33.18,-47.61,;34.51,-48.37,;35.84,-47.59,;37.18,-48.36,;38.51,-47.59,;37.18,-49.91,;35.85,-50.67,;34.51,-49.91,;33.19,-50.69,;31.86,-49.92,;29.2,-54.54,;30.55,-55.3,;27.89,-55.31,;27.89,-56.85,;29.22,-57.61,;30.55,-56.83,;29.22,-59.16,;27.9,-59.94,;26.56,-59.17,;25.23,-59.95,;23.9,-59.18,;23.9,-57.63,;22.56,-56.86,;22.56,-55.32,;25.23,-56.86,;26.56,-57.63,)| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus topoisomerase IV decatenation activity using kDNA as substrate by ethidium bromide/bromophenol blue staining base...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01250 BindingDB Entry DOI: 10.7270/Q2CN77R0
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50561962 (CHEMBL4751977) Show SMILES COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NC(=O)c3cccc(Cl)c3)c2c1 |r,wU:12.11,wD:15.18,(61.12,-49.14,;61.13,-50.68,;62.46,-51.44,;62.47,-52.99,;63.79,-53.76,;65.12,-52.99,;66.46,-53.76,;67.8,-52.99,;67.79,-51.44,;66.45,-50.68,;66.45,-49.13,;67.78,-48.35,;69.12,-49.12,;70.44,-48.34,;71.78,-49.11,;71.79,-50.66,;70.45,-51.42,;69.12,-50.66,;73.11,-51.42,;74.45,-50.66,;74.45,-49.11,;75.78,-51.42,;75.78,-52.96,;77.12,-53.73,;78.45,-52.95,;78.44,-51.41,;79.76,-50.63,;77.1,-50.65,;65.13,-51.45,;63.79,-50.68,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase using relaxed pBR322 as substrate by gel electrophoresis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00428 BindingDB Entry DOI: 10.7270/Q2Z89H4G
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50577587 (CHEMBL4869929) Show SMILES [H][C@@]1(OC[C@@H](CO1)NCc1cc2NC(=O)COc2cn1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wU:20.23,wD:4.7,1.0,(11.74,-54.25,;10.42,-53.49,;9.08,-52.74,;9.08,-51.19,;10.41,-50.42,;11.75,-51.19,;11.75,-52.72,;10.41,-48.88,;11.74,-48.1,;13.07,-48.87,;14.4,-48.1,;15.73,-48.86,;17.06,-48.08,;18.4,-48.85,;19.73,-48.08,;18.4,-50.4,;17.06,-51.16,;15.73,-50.4,;14.4,-51.18,;13.07,-50.41,;10.42,-55.03,;11.76,-55.79,;9.11,-55.8,;9.11,-57.34,;10.44,-58.1,;11.77,-57.33,;10.44,-59.65,;9.12,-60.43,;7.78,-59.66,;6.45,-60.44,;5.12,-59.67,;5.12,-58.12,;3.78,-57.35,;3.78,-55.81,;6.44,-57.35,;7.78,-58.12,)| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus topoisomerase IV decatenation activity using kDNA as substrate by ethidium bromide/bromophenol blue staining base...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01250 BindingDB Entry DOI: 10.7270/Q2CN77R0
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50462031 (CHEMBL4229223) Show SMILES COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NCc3cc4CCCOc4cn3)c2c1 |r,wU:12.11,wD:15.18,(47.65,-3.01,;47.65,-4.55,;48.98,-5.31,;48.98,-6.85,;50.31,-7.63,;51.64,-6.84,;52.98,-7.61,;54.31,-6.84,;54.3,-5.29,;52.97,-4.53,;52.96,-3,;54.29,-2.22,;55.63,-2.98,;56.95,-2.2,;58.28,-2.98,;58.28,-4.52,;56.95,-5.28,;55.62,-4.52,;59.61,-5.28,;60.95,-4.51,;62.28,-5.28,;63.6,-4.51,;64.93,-5.26,;66.26,-4.49,;67.6,-5.26,;67.6,-6.8,;66.26,-7.57,;64.93,-6.8,;63.61,-7.58,;62.27,-6.81,;51.64,-5.3,;50.31,-4.54,)| Show InChI InChI=1S/C25H29N3O4/c1-29-21-5-6-23-22(12-21)17(8-9-26-23)4-7-25-31-15-20(16-32-25)27-13-19-11-18-3-2-10-30-24(18)14-28-19/h5-6,8-9,11-12,14,20,25,27H,2-4,7,10,13,15-16H2,1H3/t20-,25-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase supercoiling activity using pBR322 as substrate after 30 mins by agarose gel electrophoresis				Bioorg Med Chem Lett 28: 2477-2480 (2018) Article DOI: 10.1016/j.bmcl.2018.06.003 BindingDB Entry DOI: 10.7270/Q2D2218S
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50577558 (CHEMBL4847289) Show SMILES COc1ccc2ncc(F)c(C(O)C[C@H]3OC[C@@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2c1 |r,wU:14.13,wD:17.20,(39.2,-55.22,;39.2,-56.76,;40.53,-57.53,;40.53,-59.08,;41.86,-59.85,;43.19,-59.07,;44.53,-59.84,;45.86,-59.06,;45.86,-57.51,;47.18,-56.74,;44.52,-56.75,;44.52,-55.21,;43.17,-54.45,;45.83,-54.44,;45.83,-52.9,;44.5,-52.14,;44.5,-50.6,;45.83,-49.82,;47.17,-50.59,;47.17,-52.13,;45.83,-48.28,;47.16,-47.51,;48.5,-48.28,;48.5,-49.81,;49.83,-50.58,;51.15,-49.81,;52.49,-50.58,;53.83,-49.81,;53.83,-48.26,;55.17,-47.49,;52.49,-47.48,;51.15,-48.26,;49.82,-47.5,;43.19,-57.53,;41.86,-56.76,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus Gyrase supercoiling activity assessed as reduction in supercoiling pBR322 DNA by measuring relaxation by bromophe...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01250 BindingDB Entry DOI: 10.7270/Q2CN77R0
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50577584 (CHEMBL4864940) Show SMILES [H][C@@]1(OC[C@@H](CO1)NCc1cnc2OCCOc2n1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wU:19.22,wD:4.7,1.0,(27.1,-34.4,;25.77,-33.64,;24.43,-32.89,;24.43,-31.34,;25.76,-30.57,;27.1,-31.34,;27.1,-32.87,;25.76,-29.03,;27.09,-28.25,;28.43,-29.02,;28.43,-30.56,;29.76,-31.33,;31.08,-30.55,;32.42,-31.32,;33.75,-30.55,;33.75,-29,;32.41,-28.23,;31.08,-29.01,;29.75,-28.25,;25.77,-35.18,;27.12,-35.94,;24.46,-35.95,;24.46,-37.49,;25.79,-38.25,;27.12,-37.48,;25.79,-39.8,;24.47,-40.58,;23.13,-39.81,;21.8,-40.59,;20.47,-39.82,;20.47,-38.27,;19.13,-37.5,;19.13,-35.96,;21.8,-37.5,;23.13,-38.27,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus Gyrase supercoiling activity assessed as reduction in supercoiling pBR322 DNA by measuring relaxation by bromophe...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01250 BindingDB Entry DOI: 10.7270/Q2CN77R0
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50462038 (CHEMBL4228258) Show SMILES COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NCc3cc4OCCOc4cn3)c2c1 |r,wU:12.11,wD:15.18,(25.37,-3,;25.37,-4.54,;26.69,-5.3,;26.69,-6.84,;28.03,-7.62,;29.36,-6.84,;30.69,-7.61,;32.03,-6.83,;32.02,-5.28,;30.68,-4.53,;30.68,-2.99,;32,-2.21,;33.34,-2.98,;34.66,-2.19,;35.99,-2.97,;36,-4.51,;34.67,-5.27,;33.34,-4.52,;37.33,-5.27,;38.66,-4.5,;40,-5.27,;41.31,-4.5,;42.65,-5.25,;43.97,-4.48,;45.31,-5.25,;45.31,-6.79,;43.98,-7.56,;42.65,-6.79,;41.32,-7.57,;39.99,-6.8,;29.36,-5.3,;28.02,-4.54,)| Show InChI InChI=1S/C24H27N3O5/c1-28-19-3-4-21-20(11-19)16(6-7-25-21)2-5-24-31-14-18(15-32-24)26-12-17-10-22-23(13-27-17)30-9-8-29-22/h3-4,6-7,10-11,13,18,24,26H,2,5,8-9,12,14-15H2,1H3/t18-,24-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase supercoiling activity using pBR322 as substrate after 30 mins by agarose gel electrophoresis				Bioorg Med Chem Lett 28: 2477-2480 (2018) Article DOI: 10.1016/j.bmcl.2018.06.003 BindingDB Entry DOI: 10.7270/Q2D2218S
					More data for this Ligand-Target Pair

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