Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50046283   

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 (Escherichia coli (strain K12))	BDBM159843 (BDBM159925 | US9040528, 2 | US9040528, 2(b)) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(C)noc4c(F)c23)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C19H19FN4O5/c1-7-6-24-13-10(4-11-8(2)23-29-14(11)12(13)20)5-19(15(24)9(3)28-7)16(25)21-18(27)22-17(19)26/h4,7,9,15H,5-6H2,1-3H3,(H2,21,22,25,26,27)/t7-,9+,15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase using fluorescence-tagged DNA by fluorescenct polarization assay				J Med Chem 57: 9078-95 (2014) Article DOI: 10.1021/jm501174m BindingDB Entry DOI: 10.7270/Q2F76FB6
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50103538 (CHEMBL3357561) Show SMILES CC1CN2C(C(C)O1)C1(Cc3cc4c(C)noc4c(F)c23)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C19H19FN4O5/c1-7-6-24-13-10(4-11-8(2)23-29-14(11)12(13)20)5-19(15(24)9(3)28-7)16(25)21-18(27)22-17(19)26/h4,7,9,15H,5-6H2,1-3H3,(H2,21,22,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase using fluorescence-tagged DNA by fluorescenct polarization assay				J Med Chem 57: 9078-95 (2014) Article DOI: 10.1021/jm501174m BindingDB Entry DOI: 10.7270/Q2F76FB6
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50103539 (CHEMBL3357982) Show SMILES [H][C@@]12[C@@H](C)O[C@H](C)CN1c1c(CC22C(=O)NC(=O)NC2=O)cc2c(C)noc2c1F |r| Show InChI InChI=1S/C19H19FN4O5/c1-7-6-24-13-10(4-11-8(2)23-29-14(11)12(13)20)5-19(15(24)9(3)28-7)16(25)21-18(27)22-17(19)26/h4,7,9,15H,5-6H2,1-3H3,(H2,21,22,25,26,27)/t7-,9-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase using fluorescence-tagged DNA by fluorescenct polarization assay				J Med Chem 57: 9078-95 (2014) Article DOI: 10.1021/jm501174m BindingDB Entry DOI: 10.7270/Q2F76FB6
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50103540 (CHEMBL3357983) Show SMILES [H][C@]12[C@H](C)O[C@@H](C)CN1c1c(CC22C(=O)NC(=O)NC2=O)cc2c(C)noc2c1F |r| Show InChI InChI=1S/C19H19FN4O5/c1-7-6-24-13-10(4-11-8(2)23-29-14(11)12(13)20)5-19(15(24)9(3)28-7)16(25)21-18(27)22-17(19)26/h4,7,9,15H,5-6H2,1-3H3,(H2,21,22,25,26,27)/t7-,9-,15+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase using fluorescence-tagged DNA by fluorescenct polarization assay				J Med Chem 57: 9078-95 (2014) Article DOI: 10.1021/jm501174m BindingDB Entry DOI: 10.7270/Q2F76FB6
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM159845 (US9040528, 2(a)) Show SMILES C[C@H]1CN2[C@@H]([C@@H](C)O1)C1(Cc3cc4c(C)noc4c(F)c23)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C19H19FN4O5/c1-7-6-24-13-10(4-11-8(2)23-29-14(11)12(13)20)5-19(15(24)9(3)28-7)16(25)21-18(27)22-17(19)26/h4,7,9,15H,5-6H2,1-3H3,(H2,21,22,25,26,27)/t7-,9+,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>83	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase using fluorescence-tagged DNA by fluorescenct polarization assay				J Med Chem 57: 9078-95 (2014) Article DOI: 10.1021/jm501174m BindingDB Entry DOI: 10.7270/Q2F76FB6
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM160047 (US9040528, 180) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(Cl)noc4c(F)c23)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C18H16ClFN4O5/c1-6-5-24-11-8(3-9-12(10(11)20)29-23-14(9)19)4-18(13(24)7(2)28-6)15(25)21-17(27)22-16(18)26/h3,6-7,13H,4-5H2,1-2H3,(H2,21,22,25,26,27)/t6-,7+,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase using fluorescence-tagged DNA by fluorescenct polarization assay				J Med Chem 57: 9078-95 (2014) Article DOI: 10.1021/jm501174m BindingDB Entry DOI: 10.7270/Q2F76FB6
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM159842 (US9040528, 1) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(N)noc4c(F)c23)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C18H18FN5O5/c1-6-5-24-11-8(3-9-12(10(11)19)29-23-14(9)20)4-18(13(24)7(2)28-6)15(25)21-17(27)22-16(18)26/h3,6-7,13H,4-5H2,1-2H3,(H2,20,23)(H2,21,22,25,26,27)/t6-,7+,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase using fluorescence-tagged DNA by fluorescenct polarization assay				J Med Chem 57: 9078-95 (2014) Article DOI: 10.1021/jm501174m BindingDB Entry DOI: 10.7270/Q2F76FB6
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM21690 (1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...) Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase using fluorescence-tagged DNA by fluorescenct polarization assay				J Med Chem 57: 9078-95 (2014) Article DOI: 10.1021/jm501174m BindingDB Entry DOI: 10.7270/Q2F76FB6
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50103541 (CHEMBL3357990) Show SMILES CC1CC(C)C2N(C1)c1c(CC22C(=O)NC(=O)NC2=O)cc2c(C)noc2c1F Show InChI InChI=1S/C20H21FN4O4/c1-8-4-9(2)16-20(17(26)22-19(28)23-18(20)27)6-11-5-12-10(3)24-29-15(12)13(21)14(11)25(16)7-8/h5,8-9,16H,4,6-7H2,1-3H3,(H2,22,23,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase using fluorescence-tagged DNA by fluorescenct polarization assay				J Med Chem 57: 9078-95 (2014) Article DOI: 10.1021/jm501174m BindingDB Entry DOI: 10.7270/Q2F76FB6
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50103535 (CHEMBL3357988) Show SMILES CC1CN2C(C(C)O1)C1(Cc3cc4c(noc4c(F)c23)C2CC2)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C21H21FN4O5/c1-8-7-26-15-11(5-12-14(10-3-4-10)25-31-16(12)13(15)22)6-21(17(26)9(2)30-8)18(27)23-20(29)24-19(21)28/h5,8-10,17H,3-4,6-7H2,1-2H3,(H2,23,24,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase using fluorescence-tagged DNA by fluorescenct polarization assay				J Med Chem 57: 9078-95 (2014) Article DOI: 10.1021/jm501174m BindingDB Entry DOI: 10.7270/Q2F76FB6
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50103537 (CHEMBL3357984) Show SMILES CC1CN2C(C(C)O1)C1(Cc3cc4c(C)noc4c(Cl)c23)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C19H19ClN4O5/c1-7-6-24-13-10(4-11-8(2)23-29-14(11)12(13)20)5-19(15(24)9(3)28-7)16(25)21-18(27)22-17(19)26/h4,7,9,15H,5-6H2,1-3H3,(H2,21,22,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase using fluorescence-tagged DNA by fluorescenct polarization assay				J Med Chem 57: 9078-95 (2014) Article DOI: 10.1021/jm501174m BindingDB Entry DOI: 10.7270/Q2F76FB6
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM159943 (US9040528, 93 | US9040528, 93(b)) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)C(F)F)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C19H17F3N4O5/c1-6-5-26-12-8(3-9-11(15(21)22)25-31-13(9)10(12)20)4-19(14(26)7(2)30-6)16(27)23-18(29)24-17(19)28/h3,6-7,14-15H,4-5H2,1-2H3,(H2,23,24,27,28,29)/t6-,7+,14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase using fluorescence-tagged DNA by fluorescenct polarization assay				J Med Chem 57: 9078-95 (2014) Article DOI: 10.1021/jm501174m BindingDB Entry DOI: 10.7270/Q2F76FB6
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM159940 (US9040528, 92 | US9040528, 92(b)) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)C(F)(F)F)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C19H16F4N4O5/c1-6-5-27-11-8(3-9-12(10(11)20)32-26-13(9)19(21,22)23)4-18(14(27)7(2)31-6)15(28)24-17(30)25-16(18)29/h3,6-7,14H,4-5H2,1-2H3,(H2,24,25,28,29,30)/t6-,7+,14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase using fluorescence-tagged DNA by fluorescenct polarization assay				J Med Chem 57: 9078-95 (2014) Article DOI: 10.1021/jm501174m BindingDB Entry DOI: 10.7270/Q2F76FB6
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM159895 (US9040528, 51) Show SMILES COc1noc2c(F)c3N4C[C@@H](C)O[C@@H](C)[C@@H]4C4(Cc3cc12)C(=O)NC(=O)NC4=O |r| Show InChI InChI=1S/C19H19FN4O6/c1-7-6-24-12-9(4-10-13(11(12)20)30-23-15(10)28-3)5-19(14(24)8(2)29-7)16(25)21-18(27)22-17(19)26/h4,7-8,14H,5-6H2,1-3H3,(H2,21,22,25,26,27)/t7-,8+,14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase using fluorescence-tagged DNA by fluorescenct polarization assay				J Med Chem 57: 9078-95 (2014) Article DOI: 10.1021/jm501174m BindingDB Entry DOI: 10.7270/Q2F76FB6
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50103536 (CHEMBL3357987) Show SMILES COCc1noc2c(F)c3N4CC(C)OC(C)C4C4(Cc3cc12)C(=O)NC(=O)NC4=O Show InChI InChI=1S/C20H21FN4O6/c1-8-6-25-14-10(4-11-12(7-29-3)24-31-15(11)13(14)21)5-20(16(25)9(2)30-8)17(26)22-19(28)23-18(20)27/h4,8-9,16H,5-7H2,1-3H3,(H2,22,23,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase using fluorescence-tagged DNA by fluorescenct polarization assay				J Med Chem 57: 9078-95 (2014) Article DOI: 10.1021/jm501174m BindingDB Entry DOI: 10.7270/Q2F76FB6
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50103542 (CHEMBL3357989) Show SMILES CC1CN2C(C(C)O1)C1(Cc3cc4c(noc4c(F)c23)C(C)(C)C)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C22H25FN4O5/c1-9-8-27-14-11(6-12-15(13(14)23)32-26-16(12)21(3,4)5)7-22(17(27)10(2)31-9)18(28)24-20(30)25-19(22)29/h6,9-10,17H,7-8H2,1-5H3,(H2,24,25,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase using fluorescence-tagged DNA by fluorescenct polarization assay				J Med Chem 57: 9078-95 (2014) Article DOI: 10.1021/jm501174m BindingDB Entry DOI: 10.7270/Q2F76FB6
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50116067 ((Linezolid)N-[3-(3-Fluoro-4-morpholin-4-yl-phenyl)...) Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1 |r| Show InChI InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase using fluorescence-tagged DNA by fluorescenct polarization assay				J Med Chem 57: 9078-95 (2014) Article DOI: 10.1021/jm501174m BindingDB Entry DOI: 10.7270/Q2F76FB6
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM159843 (BDBM159925 | US9040528, 2 | US9040528, 2(b)) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(C)noc4c(F)c23)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C19H19FN4O5/c1-7-6-24-13-10(4-11-8(2)23-29-14(11)12(13)20)5-19(15(24)9(3)28-7)16(25)21-18(27)22-17(19)26/h4,7,9,15H,5-6H2,1-3H3,(H2,21,22,25,26,27)/t7-,9+,15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha				J Med Chem 57: 9078-95 (2014) Article DOI: 10.1021/jm501174m BindingDB Entry DOI: 10.7270/Q2F76FB6
					More data for this Ligand-Target Pair