Compile Data Set for Download or QSAR

Found 227 hits with Last Name = 'lindert' and Initial = 's'   

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
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
Decaprenyl diphosphate synthase (Mycobacterium tuberculosis H37Rv)	BDBM153301 (BPH-1463) Show SMILES CCCCCCCCOC(CC=C)\C=C\C(=O)Nc1ccc(F)cc1C(O)=O Show InChI InChI=1S/C22H30FNO4/c1-3-5-6-7-8-9-15-28-18(10-4-2)12-14-21(25)24-20-13-11-17(23)16-19(20)22(26)27/h4,11-14,16,18H,2-3,5-10,15H2,1H3,(H,24,25)(H,26,27)/b14-12+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	7.5	n/a
University of California San Diego					Assay Description We screened an in-house library of 43 compounds using GPP as substrate. Briefly, the condensation of IPP and GPP, FPP, or cis-FPP catalyzed by DPPS w...				Chem Biol Drug Des 85: 756-69 (2015) Article DOI: 10.1111/cbdd.12463 BindingDB Entry DOI: 10.7270/Q2ZG6QZN
					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
Decaprenyl diphosphate synthase (Mycobacterium tuberculosis H37Rv)	BDBM153302 (BPH-948) Show SMILES CCCCCCCCCCCCCCSc1ccccc1C(O)=O Show InChI InChI=1S/C21H34O2S/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-24-20-17-14-13-16-19(20)21(22)23/h13-14,16-17H,2-12,15,18H2,1H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	7.5	n/a
University of California San Diego					Assay Description We screened an in-house library of 43 compounds using GPP as substrate. Briefly, the condensation of IPP and GPP, FPP, or cis-FPP catalyzed by DPPS w...				Chem Biol Drug Des 85: 756-69 (2015) Article DOI: 10.1111/cbdd.12463 BindingDB Entry DOI: 10.7270/Q2ZG6QZN
					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
Decaprenyl diphosphate synthase (Mycobacterium tuberculosis H37Rv)	BDBM153303 (BPH-1256) Show SMILES CCCCCCCCCCOc1cccc(c1)C(=O)Nc1ccc(cc1C(O)=O)S(N)(=O)=O Show InChI InChI=1S/C24H32N2O6S/c1-2-3-4-5-6-7-8-9-15-32-19-12-10-11-18(16-19)23(27)26-22-14-13-20(33(25,30)31)17-21(22)24(28)29/h10-14,16-17H,2-9,15H2,1H3,(H,26,27)(H,28,29)(H2,25,30,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	7.5	n/a
University of California San Diego					Assay Description We screened an in-house library of 43 compounds using GPP as substrate. Briefly, the condensation of IPP and GPP, FPP, or cis-FPP catalyzed by DPPS w...				Chem Biol Drug Des 85: 756-69 (2015) Article DOI: 10.1111/cbdd.12463 BindingDB Entry DOI: 10.7270/Q2ZG6QZN
					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
Decaprenyl diphosphate synthase (Mycobacterium tuberculosis H37Rv)	BDBM153304 (BPH-1477) Show SMILES CCCCCCCCO\C(=C\CC(=O)Nc1ccc(OC(F)(F)F)cc1C(O)=O)\C=C/C Show InChI InChI=1S/C23H30F3NO5/c1-3-5-6-7-8-9-15-31-17(10-4-2)12-14-21(28)27-20-13-11-18(32-23(24,25)26)16-19(20)22(29)30/h4,10-13,16H,3,5-9,14-15H2,1-2H3,(H,27,28)(H,29,30)/b10-4-,17-12+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	7.5	n/a
University of California San Diego					Assay Description We screened an in-house library of 43 compounds using GPP as substrate. Briefly, the condensation of IPP and GPP, FPP, or cis-FPP catalyzed by DPPS w...				Chem Biol Drug Des 85: 756-69 (2015) Article DOI: 10.1111/cbdd.12463 BindingDB Entry DOI: 10.7270/Q2ZG6QZN
					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)	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)	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)	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
Decaprenyl diphosphate synthase (Mycobacterium tuberculosis H37Rv)	BDBM153305 (BPH-1264) Show SMILES CCCCCCCCOc1cccc(c1)C(=O)Nc1ccc(Br)cc1C(O)=O Show InChI InChI=1S/C22H26BrNO4/c1-2-3-4-5-6-7-13-28-18-10-8-9-16(14-18)21(25)24-20-12-11-17(23)15-19(20)22(26)27/h8-12,14-15H,2-7,13H2,1H3,(H,24,25)(H,26,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	7.5	n/a
University of California San Diego					Assay Description We screened an in-house library of 43 compounds using GPP as substrate. Briefly, the condensation of IPP and GPP, FPP, or cis-FPP catalyzed by DPPS w...				Chem Biol Drug Des 85: 756-69 (2015) Article DOI: 10.1111/cbdd.12463 BindingDB Entry DOI: 10.7270/Q2ZG6QZN
					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)	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
Decaprenyl diphosphate synthase (Mycobacterium tuberculosis H37Rv)	BDBM153306 (BPH-1247) Show SMILES CCCCCCCCOc1cccc(c1)C(=O)Nc1ccc(cc1C(O)=O)N(=O)=O Show InChI InChI=1S/C22H26N2O6/c1-2-3-4-5-6-7-13-30-18-10-8-9-16(14-18)21(25)23-20-12-11-17(24(28)29)15-19(20)22(26)27/h8-12,14-15H,2-7,13H2,1H3,(H,23,25)(H,26,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	7.5	n/a
University of California San Diego					Assay Description We screened an in-house library of 43 compounds using GPP as substrate. Briefly, the condensation of IPP and GPP, FPP, or cis-FPP catalyzed by DPPS w...				Chem Biol Drug Des 85: 756-69 (2015) Article DOI: 10.1111/cbdd.12463 BindingDB Entry DOI: 10.7270/Q2ZG6QZN
					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
Decaprenyl diphosphate synthase (Mycobacterium tuberculosis H37Rv)	BDBM153307 (BPH-1167) Show SMILES CCCCCCCOc1cccc(c1)C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C21H25NO4/c1-2-3-4-5-8-14-26-17-11-9-10-16(15-17)20(23)22-19-13-7-6-12-18(19)21(24)25/h6-7,9-13,15H,2-5,8,14H2,1H3,(H,22,23)(H,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	7.5	n/a
University of California San Diego					Assay Description We screened an in-house library of 43 compounds using GPP as substrate. Briefly, the condensation of IPP and GPP, FPP, or cis-FPP catalyzed by DPPS w...				Chem Biol Drug Des 85: 756-69 (2015) Article DOI: 10.1111/cbdd.12463 BindingDB Entry DOI: 10.7270/Q2ZG6QZN
					More data for this Ligand-Target Pair
Decaprenyl diphosphate synthase (Mycobacterium tuberculosis H37Rv)	BDBM153308 (BPH-1467) Show SMILES CCCCCCCCOc1cccc(c1)C(=O)Nc1cc(ccc1C(O)=O)S(C)(=O)=O Show InChI InChI=1S/C23H29NO6S/c1-3-4-5-6-7-8-14-30-18-11-9-10-17(15-18)22(25)24-21-16-19(31(2,28)29)12-13-20(21)23(26)27/h9-13,15-16H,3-8,14H2,1-2H3,(H,24,25)(H,26,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	138	n/a	n/a	n/a	n/a	7.5	n/a
University of California San Diego					Assay Description We screened an in-house library of 43 compounds using GPP as substrate. Briefly, the condensation of IPP and GPP, FPP, or cis-FPP catalyzed by DPPS w...				Chem Biol Drug Des 85: 756-69 (2015) Article DOI: 10.1111/cbdd.12463 BindingDB Entry DOI: 10.7270/Q2ZG6QZN
					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
Decaprenyl diphosphate synthase (Mycobacterium tuberculosis H37Rv)	BDBM153309 (BPH-1466) Show SMILES CCCCCCCCOc1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O Show InChI InChI=1S/C22H26ClNO4/c1-2-3-4-5-6-7-13-28-18-10-8-9-16(14-18)21(25)24-20-12-11-17(23)15-19(20)22(26)27/h8-12,14-15H,2-7,13H2,1H3,(H,24,25)(H,26,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	156	n/a	n/a	n/a	n/a	7.5	n/a
University of California San Diego					Assay Description We screened an in-house library of 43 compounds using GPP as substrate. Briefly, the condensation of IPP and GPP, FPP, or cis-FPP catalyzed by DPPS w...				Chem Biol Drug Des 85: 756-69 (2015) Article DOI: 10.1111/cbdd.12463 BindingDB Entry DOI: 10.7270/Q2ZG6QZN
					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)	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)	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)	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)	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
Decaprenyl diphosphate synthase (Mycobacterium tuberculosis H37Rv)	BDBM153310 (BPH-1461) Show SMILES CCCCCCCCOc1cccc(c1)C(=O)Nc1cccc(C(O)=O)c1C(O)O Show InChI InChI=1S/C23H29NO6/c1-2-3-4-5-6-7-14-30-17-11-8-10-16(15-17)21(25)24-19-13-9-12-18(22(26)27)20(19)23(28)29/h8-13,15,23,28-29H,2-7,14H2,1H3,(H,24,25)(H,26,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	164	n/a	n/a	n/a	n/a	7.5	n/a
University of California San Diego					Assay Description We screened an in-house library of 43 compounds using GPP as substrate. Briefly, the condensation of IPP and GPP, FPP, or cis-FPP catalyzed by DPPS w...				Chem Biol Drug Des 85: 756-69 (2015) Article DOI: 10.1111/cbdd.12463 BindingDB Entry DOI: 10.7270/Q2ZG6QZN
					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)	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)	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
Decaprenyl diphosphate synthase (Mycobacterium tuberculosis H37Rv)	BDBM153311 (BPH-1294 | BPH-1296) Show SMILES CCCCCCCCOc1cccc(c1)C(=O)Nc1cc(OC)c(OC)cc1C(O)=O Show InChI InChI=1S/C24H31NO6/c1-4-5-6-7-8-9-13-31-18-12-10-11-17(14-18)23(26)25-20-16-22(30-3)21(29-2)15-19(20)24(27)28/h10-12,14-16H,4-9,13H2,1-3H3,(H,25,26)(H,27,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	205	n/a	n/a	n/a	n/a	7.5	n/a
University of California San Diego					Assay Description We screened an in-house library of 43 compounds using GPP as substrate. Briefly, the condensation of IPP and GPP, FPP, or cis-FPP catalyzed by DPPS w...				Chem Biol Drug Des 85: 756-69 (2015) Article DOI: 10.1111/cbdd.12463 BindingDB Entry DOI: 10.7270/Q2ZG6QZN
					More data for this Ligand-Target Pair
Decaprenyl diphosphate synthase (Mycobacterium tuberculosis H37Rv)	BDBM153312 (BPH-1432) Show SMILES CCCCCCCCOc1cccc(c1)C(=O)Nc1cccc(c1)P(O)(O)=O Show InChI InChI=1S/C21H28NO5P/c1-2-3-4-5-6-7-14-27-19-12-8-10-17(15-19)21(23)22-18-11-9-13-20(16-18)28(24,25)26/h8-13,15-16H,2-7,14H2,1H3,(H,22,23)(H2,24,25,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	7.5	n/a
University of California San Diego					Assay Description We screened an in-house library of 43 compounds using GPP as substrate. Briefly, the condensation of IPP and GPP, FPP, or cis-FPP catalyzed by DPPS w...				Chem Biol Drug Des 85: 756-69 (2015) Article DOI: 10.1111/cbdd.12463 BindingDB Entry DOI: 10.7270/Q2ZG6QZN
					More data for this Ligand-Target Pair
Tuberculosinyl adenosine transferase (Mycobacterium tuberculosis H37Rv)	BDBM25288 (BPH-629 | [1-hydroxy-2-(3-{8-oxatricyclo[7.4.0.0^{...) Show SMILES OC(Cc1cccc(c1)-c1cccc2c1oc1ccccc21)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C20H18O8P2/c21-20(29(22,23)24,30(25,26)27)12-13-5-3-6-14(11-13)15-8-4-9-17-16-7-1-2-10-18(16)28-19(15)17/h1-11,21H,12H2,(H2,22,23,24)(H2,25,26,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Diego					Assay Description For inhibition assay of Rv3378c, using tuberculosinyl diphosphate and adenosine as substrates, a mixture of 100 µM TPP, 100 µM adenosine,75 µg/mL Rv3...				Chem Biol Drug Des 85: 756-69 (2015) Article DOI: 10.1111/cbdd.12463 BindingDB Entry DOI: 10.7270/Q2ZG6QZN
					More data for this Ligand-Target Pair				3D Structure (crystal)
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)	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)	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
Decaprenyl diphosphate synthase (Mycobacterium tuberculosis H37Rv)	BDBM153313 (BPH-1455) Show SMILES CCCCCCCCOc1cccc(c1)C(=O)Nc1cc(F)c(F)cc1C(O)=O Show InChI InChI=1S/C22H25F2NO4/c1-2-3-4-5-6-7-11-29-16-10-8-9-15(12-16)21(26)25-20-14-19(24)18(23)13-17(20)22(27)28/h8-10,12-14H,2-7,11H2,1H3,(H,25,26)(H,27,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	279	n/a	n/a	n/a	n/a	7.5	n/a
University of California San Diego					Assay Description We screened an in-house library of 43 compounds using GPP as substrate. Briefly, the condensation of IPP and GPP, FPP, or cis-FPP catalyzed by DPPS w...				Chem Biol Drug Des 85: 756-69 (2015) Article DOI: 10.1111/cbdd.12463 BindingDB Entry DOI: 10.7270/Q2ZG6QZN
					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

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