Compile Data Set for Download or QSAR

Found 1040 hits Enz. Inhib. hit(s) with Target = 'DNA gyrase subunit B'   

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 B (Escherichia coli (strain K12))	BDBM50408204 (CHEMBL4165664) Show SMILES [H][C@]12CCN[C@@]1([H])CN(C2)c1nc(Oc2cnc(C)nc2)nc2[nH]c3c(NC)cc(F)cc3c12 |r| Show InChI InChI=1S/C22H23FN8O/c1-11-26-7-14(8-27-11)32-22-29-20-18(15-5-13(23)6-16(24-2)19(15)28-20)21(30-22)31-9-12-3-4-25-17(12)10-31/h5-8,12,17,24-25H,3-4,9-10H2,1-2H3,(H,28,29,30)/t12-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase B				Eur J Med Chem 154: 117-132 (2018) Article DOI: 10.1016/j.ejmech.2018.05.011 BindingDB Entry DOI: 10.7270/Q2CV4M9N
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50226181 ((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...) Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r| Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. C. Patel Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli H560 DNA gyrase B ATPase activity after 30 mins by ammonium molybdate/malachite green-based phosphate detection assay				Eur J Med Chem 124: 160-185 (2016) Article DOI: 10.1016/j.ejmech.2016.08.034 BindingDB Entry DOI: 10.7270/Q2K64M38
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Staphylococcus aureus)	BDBM50393079 (CHEMBL2152855 | US9040542, 23) Show SMILES CCNC(=O)Nc1nc2cc(c(F)c([C@H]3CCCO3)c2[nH]1)-c1cnc(nc1)C(C)(C)O |r| Show InChI InChI=1S/C21H25FN6O3/c1-4-23-20(29)28-19-26-13-8-12(11-9-24-18(25-10-11)21(2,3)30)16(22)15(17(13)27-19)14-6-5-7-31-14/h8-10,14,30H,4-7H2,1-3H3,(H3,23,26,27,28,29)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase Gyr B subunit by ATPase assay				ACS Med Chem Lett 3: 783-784 (2012) Article DOI: 10.1021/ml300234y BindingDB Entry DOI: 10.7270/Q2N29Z1N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50010376 (CHEMBL3263618) Show SMILES CCNC(=O)Nc1nc2cc(-c3ccn(CCOC)c(=O)c3)c(OCC3CCOC3)nc2s1 Show InChI InChI=1S/C22H27N5O5S/c1-3-23-21(29)26-22-24-17-11-16(15-4-6-27(7-9-30-2)18(28)10-15)19(25-20(17)33-22)32-13-14-5-8-31-12-14/h4,6,10-11,14H,3,5,7-9,12-13H2,1-2H3,(H2,23,24,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca India Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...				Cell Chem Biol 56: 8834-48 (2013) Article DOI: 10.1021/jm401268f BindingDB Entry DOI: 10.7270/Q2RV0Q7W
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50010373 (CHEMBL3263615) Show SMILES CCNC(=O)Nc1nc2cc(-c3ccn(C)c(=O)c3)c(OCC3CCOC3)nc2s1 Show InChI InChI=1S/C20H23N5O4S/c1-3-21-19(27)24-20-22-15-9-14(13-4-6-25(2)16(26)8-13)17(23-18(15)30-20)29-11-12-5-7-28-10-12/h4,6,8-9,12H,3,5,7,10-11H2,1-2H3,(H2,21,22,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca India Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...				Cell Chem Biol 56: 8834-48 (2013) Article DOI: 10.1021/jm401268f BindingDB Entry DOI: 10.7270/Q2RV0Q7W
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Staphylococcus aureus)	BDBM50047345 (CHEMBL3314588) Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1cncc(NCCN2CCN(C)CC2)n1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATPase activity of Staphylococcus aureus GyrB				J Med Chem 57: 6060-82 (2014) Article DOI: 10.1021/jm500462x BindingDB Entry DOI: 10.7270/Q24J0GR1
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470392 (CHEMBL4283208) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C2CC2)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1 Show InChI InChI=1S/C28H31N9O3S/c1-3-29-27(38)33-23-9-20(26-32-22(14-41-26)15-4-5-15)21(11-30-23)19-8-16(25-34-35-28(39)40-25)10-31-24(19)37-17-6-7-18(37)13-36(2)12-17/h8-11,14-15,17-18H,3-7,12-13H2,1-2H3,(H,35,39)(H2,29,30,33,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470399 (CHEMBL4286573) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1CCC(N)CC1)-c1n[nH]c(=O)o1 Show InChI InChI=1S/C24H24F3N9O3S/c1-2-29-22(37)33-18-8-15(21-32-17(11-40-21)24(25,26)27)16(10-30-18)14-7-12(20-34-35-23(38)39-20)9-31-19(14)36-5-3-13(28)4-6-36/h7-11,13H,2-6,28H2,1H3,(H,35,38)(H2,29,30,33,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Staphylococcus aureus)	BDBM50388101 (CHEMBL2059380) Show SMILES CCNC(=O)c1cc2c(c(cnc2[nH]1)-c1cc(cnc1OC)-c1n[nH]c(=O)o1)-n1ccc(n1)C(F)(F)F Show InChI InChI=1S/C22H17F3N8O4/c1-3-26-18(34)14-7-12-16(33-5-4-15(32-33)22(23,24)25)13(9-27-17(12)29-14)11-6-10(8-28-20(11)36-2)19-30-31-21(35)37-19/h4-9H,3H2,1-2H3,(H,26,34)(H,27,29)(H,31,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase B expressed in Escherichia coli BL21(DE3) cells assessed ATP hydrolysis activity after 18 to 24 hrs by...				Bioorg Med Chem Lett 22: 5150-6 (2012) Article DOI: 10.1016/j.bmcl.2012.05.128 BindingDB Entry DOI: 10.7270/Q2D79CG0
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50010340 (CHEMBL3263621) Show SMILES CCNC(=O)Nc1nc2cc(c(OCC3CCOC3)nc2s1)-c1ccn(CCN2CCOCC2)c(=O)c1 Show InChI InChI=1S/C25H32N6O5S/c1-2-26-24(33)29-25-27-20-14-19(22(28-23(20)37-25)36-16-17-4-10-35-15-17)18-3-5-31(21(32)13-18)7-6-30-8-11-34-12-9-30/h3,5,13-14,17H,2,4,6-12,15-16H2,1H3,(H2,26,27,29,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca India Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...				Cell Chem Biol 56: 8834-48 (2013) Article DOI: 10.1021/jm401268f BindingDB Entry DOI: 10.7270/Q2RV0Q7W
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50447299 (CHEMBL3114208) Show SMILES CCNC(=O)Nc1nc2cc(-c3cc(C)n(CCOC)c(=O)c3)c(=O)n(C(C)C)c2s1 Show InChI InChI=1S/C21H27N5O4S/c1-6-22-20(29)24-21-23-16-11-15(18(28)26(12(2)3)19(16)31-21)14-9-13(4)25(7-8-30-5)17(27)10-14/h9-12H,6-8H2,1-5H3,(H2,22,23,24,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins				Bioorg Med Chem Lett 24: 870-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.080 BindingDB Entry DOI: 10.7270/Q2K9390V
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50010377 (CHEMBL3263619) Show SMILES CCNC(=O)Nc1nc2cc(-c3ccn(CCOC)c(=O)c3)c(O[C@@H]3CCOC3)nc2s1 |r| Show InChI InChI=1S/C21H25N5O5S/c1-3-22-20(28)25-21-23-16-11-15(13-4-6-26(7-9-29-2)17(27)10-13)18(24-19(16)32-21)31-14-5-8-30-12-14/h4,6,10-11,14H,3,5,7-9,12H2,1-2H3,(H2,22,23,25,28)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca India Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...				Cell Chem Biol 56: 8834-48 (2013) Article DOI: 10.1021/jm401268f BindingDB Entry DOI: 10.7270/Q2RV0Q7W
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470397 (CHEMBL4294536) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1CCN(C)CC1 Show InChI InChI=1S/C25H25F3N8OS/c1-3-29-24(37)34-21-12-16(23-33-20(14-38-23)25(26,27)28)17(13-31-21)15-11-19-18(5-4-6-30-19)32-22(15)36-9-7-35(2)8-10-36/h4-6,11-14H,3,7-10H2,1-2H3,(H2,29,31,34,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50010339 (CHEMBL3263620) Show SMILES CCNC(=O)Nc1nc2cc(-c3ccn(CCN(C)C)c(=O)c3)c(OCC3CCOC3)nc2s1 Show InChI InChI=1S/C23H30N6O4S/c1-4-24-22(31)27-23-25-18-12-17(16-5-7-29(19(30)11-16)9-8-28(2)3)20(26-21(18)34-23)33-14-15-6-10-32-13-15/h5,7,11-12,15H,4,6,8-10,13-14H2,1-3H3,(H2,24,25,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca India Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...				Cell Chem Biol 56: 8834-48 (2013) Article DOI: 10.1021/jm401268f BindingDB Entry DOI: 10.7270/Q2RV0Q7W
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470406 (CHEMBL4295081) Show SMILES [H][C@]12CC[C@]([H])(C[C@H](N)C1)N2c1nc2cccnc2cc1-c1cnc(NC(=O)NCC)cc1-c1nc(cs1)C(F)(F)F |r| Show InChI InChI=1S/C27H27F3N8OS/c1-2-32-26(39)37-23-11-18(25-36-22(13-40-25)27(28,29)30)19(12-34-23)17-10-21-20(4-3-7-33-21)35-24(17)38-15-5-6-16(38)9-14(31)8-15/h3-4,7,10-16H,2,5-6,8-9,31H2,1H3,(H2,32,34,37,39)/t14-,15+,16-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50010338 (CHEMBL3259858) Show SMILES CCNC(=O)Nc1nc2cc(c(N[C@H]3CCOC3)nc2s1)-c1ccn(CCOC)c(=O)c1 |r| Show InChI InChI=1S/C21H26N6O4S/c1-3-22-20(29)26-21-24-16-11-15(13-4-6-27(7-9-30-2)17(28)10-13)18(25-19(16)32-21)23-14-5-8-31-12-14/h4,6,10-11,14H,3,5,7-9,12H2,1-2H3,(H,23,25)(H2,22,24,26,29)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca India Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...				Cell Chem Biol 56: 8834-48 (2013) Article DOI: 10.1021/jm401268f BindingDB Entry DOI: 10.7270/Q2RV0Q7W
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50010371 (CHEMBL3263613) Show SMILES CCNC(=O)Nc1nc2cc(c(OCC3CCOC3)nc2s1)-c1cncc(OCCN2CCOCC2)c1 Show InChI InChI=1S/C25H32N6O5S/c1-2-27-24(32)30-25-28-21-12-20(22(29-23(21)37-25)36-16-17-3-7-34-15-17)18-11-19(14-26-13-18)35-10-6-31-4-8-33-9-5-31/h11-14,17H,2-10,15-16H2,1H3,(H2,27,28,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca India Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...				Cell Chem Biol 56: 8834-48 (2013) Article DOI: 10.1021/jm401268f BindingDB Entry DOI: 10.7270/Q2RV0Q7W
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Staphylococcus aureus)	BDBM50388100 (CHEMBL2059379) Show SMILES CCNC(=O)c1cc2c(c(cnc2[nH]1)-c1cnc(OC)c(c1)-c1n[nH]c(=O)o1)-n1ccc(n1)C(F)(F)F Show InChI InChI=1S/C22H17F3N8O4/c1-3-26-18(34)14-7-11-16(33-5-4-15(32-33)22(23,24)25)13(9-27-17(11)29-14)10-6-12(19(36-2)28-8-10)20-30-31-21(35)37-20/h4-9H,3H2,1-2H3,(H,26,34)(H,27,29)(H,31,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase B expressed in Escherichia coli BL21(DE3) cells assessed ATP hydrolysis activity after 18 to 24 hrs by...				Bioorg Med Chem Lett 22: 5150-6 (2012) Article DOI: 10.1016/j.bmcl.2012.05.128 BindingDB Entry DOI: 10.7270/Q2D79CG0
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50447303 (CHEMBL3114202) Show SMILES CCNC(=O)Nc1nc2cc(-c3cncc(c3)C#N)c(=O)n(C(C)C)c2s1 Show InChI InChI=1S/C18H18N6O2S/c1-4-21-17(26)23-18-22-14-6-13(12-5-11(7-19)8-20-9-12)15(25)24(10(2)3)16(14)27-18/h5-6,8-10H,4H2,1-3H3,(H2,21,22,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins				Bioorg Med Chem Lett 24: 870-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.080 BindingDB Entry DOI: 10.7270/Q2K9390V
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Staphylococcus aureus)	BDBM50358854 (CHEMBL1923440) Show SMILES Cc1[nH]c(C(=O)N[C@@H]2CCN(C[C@@H]2F)c2ncc(s2)C(O)=O)c(Cl)c1Cl |r| Show InChI InChI=1S/C15H15Cl2FN4O3S/c1-6-10(16)11(17)12(20-6)13(23)21-8-2-3-22(5-7(8)18)15-19-4-9(26-15)14(24)25/h4,7-8,20H,2-3,5H2,1H3,(H,21,23)(H,24,25)/t7-,8+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of ATPase activity of recombinant Staphylococcus aureus DNA gyrase B hybrid tetramer enzyme reconstituted from Escherichia coli GyrA by am...				Bioorg Med Chem Lett 21: 7416-20 (2011) Article DOI: 10.1016/j.bmcl.2011.10.010 BindingDB Entry DOI: 10.7270/Q2RB7512
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470393 (CHEMBL4291061) Show SMILES [H][C@]12CC[C@]([H])(C[C@H](N)C1)N2c1ncc(cc1-c1cnc(NC(=O)NCC)cc1-c1nc(cs1)C(F)(F)F)-c1n[nH]c(=O)o1 |r| Show InChI InChI=1S/C26H26F3N9O3S/c1-2-31-24(39)35-20-8-17(23-34-19(11-42-23)26(27,28)29)18(10-32-20)16-5-12(22-36-37-25(40)41-22)9-33-21(16)38-14-3-4-15(38)7-13(30)6-14/h5,8-11,13-15H,2-4,6-7,30H2,1H3,(H,37,40)(H2,31,32,35,39)/t13-,14+,15-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470407 (CHEMBL4286625) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cnc2cccnc2c1 Show InChI InChI=1S/C20H15F3N6OS/c1-2-24-19(30)29-17-7-12(18-28-16(10-31-18)20(21,22)23)13(9-27-17)11-6-15-14(26-8-11)4-3-5-25-15/h3-10H,2H2,1H3,(H2,24,27,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Staphylococcus aureus)	BDBM50173889 (CHEMBL3809400) Show SMILES C=CCn1c2[nH]nc(-c3cnc(s3)-c3cccnc3)c2ccc1=O Show InChI InChI=1S/C17H13N5OS/c1-2-8-22-14(23)6-5-12-15(20-21-16(12)22)13-10-19-17(24-13)11-4-3-7-18-9-11/h2-7,9-10H,1,8H2,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...				ACS Med Chem Lett 7: 374-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00368 BindingDB Entry DOI: 10.7270/Q20R9RB6
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50010374 (CHEMBL3263616) Show SMILES CCNC(=O)Nc1nc2cc(-c3cc(C)n(C)c(=O)c3)c(OCC3CCOC3)nc2s1 Show InChI InChI=1S/C21H25N5O4S/c1-4-22-20(28)25-21-23-16-9-15(14-7-12(2)26(3)17(27)8-14)18(24-19(16)31-21)30-11-13-5-6-29-10-13/h7-9,13H,4-6,10-11H2,1-3H3,(H2,22,23,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca India Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...				Cell Chem Biol 56: 8834-48 (2013) Article DOI: 10.1021/jm401268f BindingDB Entry DOI: 10.7270/Q2RV0Q7W
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50010347 (CHEMBL3263591) Show SMILES CCNC(=O)Nc1nc2cc(-c3cccnc3)c(OCC3CCOC3)nc2s1 Show InChI InChI=1S/C19H21N5O3S/c1-2-21-18(25)24-19-22-15-8-14(13-4-3-6-20-9-13)16(23-17(15)28-19)27-11-12-5-7-26-10-12/h3-4,6,8-9,12H,2,5,7,10-11H2,1H3,(H2,21,22,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca India Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...				Cell Chem Biol 56: 8834-48 (2013) Article DOI: 10.1021/jm401268f BindingDB Entry DOI: 10.7270/Q2RV0Q7W
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50447301 (CHEMBL3114206) Show SMILES CCNC(=O)Nc1nc2cc(-c3cc(C)n(CC)c(=O)c3)c(=O)n(C(C)C)c2s1 Show InChI InChI=1S/C20H25N5O3S/c1-6-21-19(28)23-20-22-15-10-14(17(27)25(11(3)4)18(15)29-20)13-8-12(5)24(7-2)16(26)9-13/h8-11H,6-7H2,1-5H3,(H2,21,22,23,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins				Bioorg Med Chem Lett 24: 870-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.080 BindingDB Entry DOI: 10.7270/Q2K9390V
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Staphylococcus aureus)	BDBM50388092 (CHEMBL2059196) Show SMILES CCNC(=O)c1cc2c(c(cnc2[nH]1)-c1cncc(c1)C(O)=O)-n1ccc(n1)C(F)(F)F Show InChI InChI=1S/C20H15F3N6O3/c1-2-25-18(30)14-6-12-16(29-4-3-15(28-29)20(21,22)23)13(9-26-17(12)27-14)10-5-11(19(31)32)8-24-7-10/h3-9H,2H2,1H3,(H,25,30)(H,26,27)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase B expressed in Escherichia coli BL21(DE3) cells assessed ATP hydrolysis activity after 18 to 24 hrs by...				Bioorg Med Chem Lett 22: 5150-6 (2012) Article DOI: 10.1016/j.bmcl.2012.05.128 BindingDB Entry DOI: 10.7270/Q2D79CG0
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470401 (CHEMBL4290062) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1C2CC1CN(C)C2 Show InChI InChI=1S/C26H25F3N8OS/c1-3-30-25(38)35-22-9-17(24-34-21(13-39-24)26(27,28)29)18(10-32-22)16-8-20-19(5-4-6-31-20)33-23(16)37-14-7-15(37)12-36(2)11-14/h4-6,8-10,13-15H,3,7,11-12H2,1-2H3,(H2,30,32,35,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50447300 (CHEMBL3114207) Show SMILES CCNC(=O)Nc1nc2cc(-c3ccn(CCOC)c(=O)c3)c(=O)n(C(C)C)c2s1 Show InChI InChI=1S/C20H25N5O4S/c1-5-21-19(28)23-20-22-15-11-14(17(27)25(12(2)3)18(15)30-20)13-6-7-24(8-9-29-4)16(26)10-13/h6-7,10-12H,5,8-9H2,1-4H3,(H2,21,22,23,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins				Bioorg Med Chem Lett 24: 870-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.080 BindingDB Entry DOI: 10.7270/Q2K9390V
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50463770 (CHEMBL4238919) Show SMILES CNc1cc(F)cc2c1[nH]c1nc(CNC(=O)c3cocn3)nc(N3CCC(N)C3)c21 Show InChI InChI=1S/C20H21FN8O2/c1-23-13-5-10(21)4-12-16-18(28-17(12)13)26-15(6-24-20(30)14-8-31-9-25-14)27-19(16)29-3-2-11(22)7-29/h4-5,8-9,11,23H,2-3,6-7,22H2,1H3,(H,24,30)(H,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Redx Pharma Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase activity				Bioorg Med Chem Lett 28: 2998-3003 (2018) Article DOI: 10.1016/j.bmcl.2018.05.049 BindingDB Entry DOI: 10.7270/Q2G73HD3
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Staphylococcus aureus)	BDBM50173875 (CHEMBL3808756) Show SMILES CCCn1c2[nH]nc(-c3nc(C(=O)OC)c(s3)-c3cccnc3)c2ccc1=O Show InChI InChI=1S/C19H17N5O3S/c1-3-9-24-13(25)7-6-12-14(22-23-17(12)24)18-21-15(19(26)27-2)16(28-18)11-5-4-8-20-10-11/h4-8,10H,3,9H2,1-2H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...				ACS Med Chem Lett 7: 374-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00368 BindingDB Entry DOI: 10.7270/Q20R9RB6
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50006565 (CHEMBL3235085) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cncc(c1)C(O)=O Show InChI InChI=1S/C18H14F3N5O3S/c1-2-23-17(29)26-14-4-11(15-25-13(8-30-15)18(19,20)21)12(7-24-14)9-3-10(16(27)28)6-22-5-9/h3-8H,2H2,1H3,(H,27,28)(H2,23,24,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470394 (CHEMBL4281775) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)C(O)=O Show InChI InChI=1S/C25H26F3N7O3S/c1-3-29-24(38)33-20-7-17(22-32-19(12-39-22)25(26,27)28)18(9-30-20)16-6-13(23(36)37)8-31-21(16)35-14-4-5-15(35)11-34(2)10-14/h6-9,12,14-15H,3-5,10-11H2,1-2H3,(H,36,37)(H2,29,30,33,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470403 (CHEMBL4294467) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)-c1n[nH]c(=O)o1 Show InChI InChI=1S/C26H26F3N9O3S/c1-3-30-24(39)34-20-7-17(23-33-19(12-42-23)26(27,28)29)18(9-31-20)16-6-13(22-35-36-25(40)41-22)8-32-21(16)38-14-4-5-15(38)11-37(2)10-14/h6-9,12,14-15H,3-5,10-11H2,1-2H3,(H,36,40)(H2,30,31,34,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50447305 (CHEMBL3114200) Show SMILES CCNC(=O)Nc1nc2cc(-c3cncc(OC)c3)c(=O)n(C(C)C)c2s1 Show InChI InChI=1S/C18H21N5O3S/c1-5-20-17(25)22-18-21-14-7-13(11-6-12(26-4)9-19-8-11)15(24)23(10(2)3)16(14)27-18/h6-10H,5H2,1-4H3,(H2,20,21,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins				Bioorg Med Chem Lett 24: 870-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.080 BindingDB Entry DOI: 10.7270/Q2K9390V
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470396 (CHEMBL4293447) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1CCC(N)CC1 Show InChI InChI=1S/C25H25F3N8OS/c1-2-30-24(37)35-21-11-16(23-34-20(13-38-23)25(26,27)28)17(12-32-21)15-10-19-18(4-3-7-31-19)33-22(15)36-8-5-14(29)6-9-36/h3-4,7,10-14H,2,5-6,8-9,29H2,1H3,(H2,30,32,35,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Staphylococcus aureus)	BDBM50173879 (CHEMBL3810359) Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3cccnc3)c2ccc1=O Show InChI InChI=1S/C17H15N5OS/c1-2-8-22-14(23)6-5-12-15(20-21-16(12)22)13-10-19-17(24-13)11-4-3-7-18-9-11/h3-7,9-10H,2,8H2,1H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...				ACS Med Chem Lett 7: 374-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00368 BindingDB Entry DOI: 10.7270/Q20R9RB6
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50010365 (CHEMBL3263607) Show SMILES CCNC(=O)Nc1nc2cc(-c3cnc(C)nc3)c(OCC3CCOC3)nc2s1 Show InChI InChI=1S/C19H22N6O3S/c1-3-20-18(26)25-19-23-15-6-14(13-7-21-11(2)22-8-13)16(24-17(15)29-19)28-10-12-4-5-27-9-12/h6-8,12H,3-5,9-10H2,1-2H3,(H2,20,23,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca India Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...				Cell Chem Biol 56: 8834-48 (2013) Article DOI: 10.1021/jm401268f BindingDB Entry DOI: 10.7270/Q2RV0Q7W
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50010362 (CHEMBL3263604) Show SMILES CCNC(=O)Nc1nc2cc(-c3cncc(F)c3)c(OCC3CCOC3)nc2s1 Show InChI InChI=1S/C19H20FN5O3S/c1-2-22-18(26)25-19-23-15-6-14(12-5-13(20)8-21-7-12)16(24-17(15)29-19)28-10-11-3-4-27-9-11/h5-8,11H,2-4,9-10H2,1H3,(H2,22,23,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca India Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...				Cell Chem Biol 56: 8834-48 (2013) Article DOI: 10.1021/jm401268f BindingDB Entry DOI: 10.7270/Q2RV0Q7W
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470404 (CHEMBL4279382) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc2ncccc2nc1N1C2CCC1CN(C)C2 Show InChI InChI=1S/C27H27F3N8OS/c1-3-31-26(39)36-23-10-18(25-35-22(14-40-25)27(28,29)30)19(11-33-23)17-9-21-20(5-4-8-32-21)34-24(17)38-15-6-7-16(38)13-37(2)12-15/h4-5,8-11,14-16H,3,6-7,12-13H2,1-2H3,(H2,31,33,36,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Staphylococcus aureus)	BDBM50499015 (CHEMBL3736321) Show SMILES CCNC(=O)Nc1cn(-c2ncc(Br)cn2)c2cc(cnc12)-c1ccn(CCO)c(=O)c1 Show InChI InChI=1S/C21H20BrN7O3/c1-2-23-21(32)27-16-12-29(20-25-10-15(22)11-26-20)17-7-14(9-24-19(16)17)13-3-4-28(5-6-30)18(31)8-13/h3-4,7-12,30H,2,5-6H2,1H3,(H2,23,27,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA GyraseB ATPase activity using linear pBR322 DNA as substrate incubated for 30 mins by fluorescence polarizati...				J Med Chem 58: 8503-12 (2015) Article DOI: 10.1021/acs.jmedchem.5b00961 BindingDB Entry DOI: 10.7270/Q24B34BK
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50470395 (CHEMBL4279313) Show SMILES CCNC(=O)Nc1cc(-c2nc(cs2)C(F)(F)F)c(cn1)-c1cc(cnc1N1C2CCC1CN(C)C2)C(=O)NS(C)(=O)=O Show InChI InChI=1S/C26H29F3N8O4S2/c1-4-30-25(39)34-21-8-18(24-33-20(13-42-24)26(27,28)29)19(10-31-21)17-7-14(23(38)35-43(3,40)41)9-32-22(17)37-15-5-6-16(37)12-36(2)11-15/h7-10,13,15-16H,4-6,11-12H2,1-3H3,(H,35,38)(H2,30,31,34,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)				Eur J Med Chem 157: 610-621 (2018) Article DOI: 10.1016/j.ejmech.2018.08.025 BindingDB Entry DOI: 10.7270/Q28P637N
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50010375 (CHEMBL3263617) Show SMILES CCNC(=O)Nc1nc2cc(-c3cc(C(C)C)n(C)c(=O)c3)c(OCC3CCOC3)nc2s1 Show InChI InChI=1S/C23H29N5O4S/c1-5-24-22(30)27-23-25-17-10-16(15-8-18(13(2)3)28(4)19(29)9-15)20(26-21(17)33-23)32-12-14-6-7-31-11-14/h8-10,13-14H,5-7,11-12H2,1-4H3,(H2,24,25,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca India Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...				Cell Chem Biol 56: 8834-48 (2013) Article DOI: 10.1021/jm401268f BindingDB Entry DOI: 10.7270/Q2RV0Q7W
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50010364 (CHEMBL3263606) Show SMILES CCNC(=O)Nc1nc2cc(-c3cncc(OC)c3)c(OCC3CCOC3)nc2s1 Show InChI InChI=1S/C20H23N5O4S/c1-3-22-19(26)25-20-23-16-7-15(13-6-14(27-2)9-21-8-13)17(24-18(16)30-20)29-11-12-4-5-28-10-12/h6-9,12H,3-5,10-11H2,1-2H3,(H2,22,23,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca India Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...				Cell Chem Biol 56: 8834-48 (2013) Article DOI: 10.1021/jm401268f BindingDB Entry DOI: 10.7270/Q2RV0Q7W
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Staphylococcus aureus)	BDBM50173718 (CHEMBL3809821) Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(CO)nc3)c2ccc1=O Show InChI InChI=1S/C18H17N5O2S/c1-2-7-23-15(25)6-5-13-16(21-22-17(13)23)14-9-20-18(26-14)11-3-4-12(10-24)19-8-11/h3-6,8-9,24H,2,7,10H2,1H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<8	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...				ACS Med Chem Lett 7: 374-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00368 BindingDB Entry DOI: 10.7270/Q20R9RB6
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Staphylococcus aureus)	BDBM50173644 (CHEMBL3810048) Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(C)nc3)c2ccc1=O Show InChI InChI=1S/C18H17N5OS/c1-3-8-23-15(24)7-6-13-16(21-22-17(13)23)14-10-20-18(25-14)12-5-4-11(2)19-9-12/h4-7,9-10H,3,8H2,1-2H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<8	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...				ACS Med Chem Lett 7: 374-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00368 BindingDB Entry DOI: 10.7270/Q20R9RB6
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Staphylococcus aureus)	BDBM50173641 (CHEMBL3810223) Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(nc3)N3CCN(C)CC3)c2ccc1=O Show InChI InChI=1S/C22H25N7OS/c1-3-8-29-19(30)7-5-16-20(25-26-21(16)29)17-14-24-22(31-17)15-4-6-18(23-13-15)28-11-9-27(2)10-12-28/h4-7,13-14H,3,8-12H2,1-2H3,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...				ACS Med Chem Lett 7: 374-8 (2016) Article DOI: 10.1021/acsmedchemlett.5b00368 BindingDB Entry DOI: 10.7270/Q20R9RB6
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Staphylococcus aureus)	BDBM50134212 (CHEMBL3741453) Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(nc3)C(O)=O)c2ccc1=O Show InChI InChI=1S/C18H15N5O3S/c1-2-7-23-14(24)6-4-11-15(21-22-16(11)23)13-9-20-17(27-13)10-3-5-12(18(25)26)19-8-10/h3-6,8-9H,2,7H2,1H3,(H,21,22)(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<8	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus Gyrase B ATPase activity by fluorescence analysis				ACS Med Chem Lett 6: 1080-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00266 BindingDB Entry DOI: 10.7270/Q2GB25VF
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Staphylococcus aureus)	BDBM50135116 (CHEMBL3740365) Show SMILES CCCOc1nccc2c(n[nH]c12)-c1cnc(s1)-c1ccc(nc1)C(O)=O Show InChI InChI=1S/C18H15N5O3S/c1-2-7-26-16-15-11(5-6-19-16)14(22-23-15)13-9-21-17(27-13)10-3-4-12(18(24)25)20-8-10/h3-6,8-9H,2,7H2,1H3,(H,22,23)(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<8	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus Gyrase B ATPase activity by fluorescence analysis				ACS Med Chem Lett 6: 1080-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00266 BindingDB Entry DOI: 10.7270/Q2GB25VF
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Staphylococcus aureus)	BDBM50135115 (CHEMBL3741066) Show SMILES CCCOc1nccc2c(n[nH]c12)-c1cnc(s1)-c1ccc(CO)nc1 Show InChI InChI=1S/C18H17N5O2S/c1-2-7-25-17-16-13(5-6-19-17)15(22-23-16)14-9-21-18(26-14)11-3-4-12(10-24)20-8-11/h3-6,8-9,24H,2,7,10H2,1H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<8	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus Gyrase B ATPase activity by fluorescence analysis				ACS Med Chem Lett 6: 1080-5 (2015) Article DOI: 10.1021/acsmedchemlett.5b00266 BindingDB Entry DOI: 10.7270/Q2GB25VF
					More data for this Ligand-Target Pair

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