Compile Data Set for Download or QSAR

Found 139 hits of ic50 for UniProtKB: P0AES4   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM50518948 (CHEMBL4574863) Show SMILES COc1ccc2cc(F)nc(N3CCN(CC(O)CNc4cc(=O)oc5ccc(F)cc45)CC3)c2c1 Show InChI InChI=1S/C26H26F2N4O4/c1-35-19-4-2-16-10-24(28)30-26(20(16)12-19)32-8-6-31(7-9-32)15-18(33)14-29-22-13-25(34)36-23-5-3-17(27)11-21(22)23/h2-5,10-13,18,29,33H,6-9,14-15H2,1H3	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
Angelini S.p.A. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ATCC 25922 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium bromid...				J Med Chem 62: 7445-7472 (2019) Article DOI: 10.1021/acs.jmedchem.9b00394 BindingDB Entry DOI: 10.7270/Q2Z03CKM
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139408 (US8889671, 38) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)N2C[C@H](CF)OC2=O)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C22H21F2N5O7/c1-8-6-28-14-10(4-22(16(28)9(2)34-8)18(30)25-20(32)26-19(22)31)3-12-15(13(14)24)36-27-17(12)29-7-11(5-23)35-21(29)33/h3,8-9,11,16H,4-7H2,1-2H3,(H2,25,26,30,31,32)/t8-,9+,11+,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	67	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139409 (US8889671, 39) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)N2[C@H](COC2=O)C=C)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C23H22FN5O7/c1-4-12-8-34-22(33)29(12)18-13-5-11-6-23(19(30)25-21(32)26-20(23)31)17-10(3)35-9(2)7-28(17)15(11)14(24)16(13)36-27-18/h4-5,9-10,12,17H,1,6-8H2,2-3H3,(H2,25,26,30,31,32)/t9-,10+,12+,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	97	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM50518915 (CHEMBL4583368) Show SMILES OC(CNc1nc(=O)oc2ccc(F)cc12)CN1CCN(CC1)c1nc(F)cc2ccc(F)cc12 Show InChI InChI=1S/C24H22F3N5O3/c25-15-2-1-14-9-21(27)29-23(18(14)10-15)32-7-5-31(6-8-32)13-17(33)12-28-22-19-11-16(26)3-4-20(19)35-24(34)30-22/h1-4,9-11,17,33H,5-8,12-13H2,(H,28,30,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Angelini S.p.A. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ATCC 25922 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium bromid...				J Med Chem 62: 7445-7472 (2019) Article DOI: 10.1021/acs.jmedchem.9b00394 BindingDB Entry DOI: 10.7270/Q2Z03CKM
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM50483022 (8-Methoxy Fluoroquinolone | CHEMBL1276635) Show SMILES CC[C@@H]1CCN(C1)c1c(F)cc2c(c1OC)n(cc(C(O)=O)c2=O)C1CC1 |r| Show InChI InChI=1S/C20H23FN2O4/c1-3-11-6-7-22(9-11)17-15(21)8-13-16(19(17)27-2)23(12-4-5-12)10-14(18(13)24)20(25)26/h8,10-12H,3-7,9H2,1-2H3,(H,25,26)/t11-/m1/s1	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
University of Minnesota Medical School Curated by ChEMBL					Assay Description Inhibition of DNA supercoiling activity of Escherichia coli DNA gyrase gyrA A67S mutant				Antimicrob Agents Chemother 54: 3011-4 (2010) Article DOI: 10.1128/AAC.00190-10 BindingDB Entry DOI: 10.7270/Q2W098SQ
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139407 (US8889671, 37) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)N2C[C@H](CO)OC2=O)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C22H22FN5O8/c1-8-5-27-14-10(4-22(16(27)9(2)34-8)18(30)24-20(32)25-19(22)31)3-12-15(13(14)23)36-26-17(12)28-6-11(7-29)35-21(28)33/h3,8-9,11,16,29H,4-7H2,1-2H3,(H2,24,25,30,31,32)/t8-,9+,11-,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139428 (US8889671, 65) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)N2[C@H](COC2=O)C#C)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C23H20FN5O7/c1-4-12-8-34-22(33)29(12)18-13-5-11-6-23(19(30)25-21(32)26-20(23)31)17-10(3)35-9(2)7-28(17)15(11)14(24)16(13)36-27-18/h1,5,9-10,12,17H,6-8H2,2-3H3,(H2,25,26,30,31,32)/t9-,10+,12+,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139386 (US8889671, 15) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)N2[C@@H](CF)COC2=O)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C22H21F2N5O7/c1-8-6-28-14-10(4-22(16(28)9(2)35-8)18(30)25-20(32)26-19(22)31)3-12-15(13(14)24)36-27-17(12)29-11(5-23)7-34-21(29)33/h3,8-9,11,16H,4-7H2,1-2H3,(H2,25,26,30,31,32)/t8-,9+,11+,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139388 (US8889671, 17 | US8889671, 67) Show SMILES COC[C@H]1COC(=O)N1c1noc2c(F)c3N4C[C@@H](C)O[C@@H](C)[C@@H]4C4(Cc3cc12)C(=O)NC(=O)NC4=O |r| Show InChI InChI=1S/C23H24FN5O8/c1-9-6-28-15-11(5-23(17(28)10(2)36-9)19(30)25-21(32)26-20(23)31)4-13-16(14(15)24)37-27-18(13)29-12(7-34-3)8-35-22(29)33/h4,9-10,12,17H,5-8H2,1-3H3,(H2,25,26,30,31,32)/t9-,10+,12+,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	140	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139445 (US8889671, 55) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)N2[C@@H](COC2=O)c2ccccn2)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C26H23FN6O7/c1-11-9-32-18-13(8-26(20(32)12(2)39-11)22(34)29-24(36)30-23(26)35)7-14-19(17(18)27)40-31-21(14)33-16(10-38-25(33)37)15-5-3-4-6-28-15/h3-7,11-12,16,20H,8-10H2,1-2H3,(H2,29,30,34,35,36)/t11-,12+,16+,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	150	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139443 (US8889671, 47) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)N2[C@H](CN=[N+]=[N-])COC2=O)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C22H21FN8O7/c1-8-6-30-14-10(4-22(16(30)9(2)37-8)18(32)26-20(34)27-19(22)33)3-12-15(13(14)23)38-28-17(12)31-11(5-25-29-24)7-36-21(31)35/h3,8-9,11,16H,4-7H2,1-2H3,(H2,26,27,32,33,34)/t8-,9+,11-,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	150	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM50518924 (CHEMBL4533152) Show SMILES OC(CNc1cc(=O)oc2ccc(F)cc12)CN1CCN(CC1)c1nccc2ncccc12 Show InChI InChI=1S/C24H24FN5O3/c25-16-3-4-22-19(12-16)21(13-23(32)33-22)28-14-17(31)15-29-8-10-30(11-9-29)24-18-2-1-6-26-20(18)5-7-27-24/h1-7,12-13,17,28,31H,8-11,14-15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Angelini S.p.A. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ATCC 25922 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium bromid...				J Med Chem 62: 7445-7472 (2019) Article DOI: 10.1021/acs.jmedchem.9b00394 BindingDB Entry DOI: 10.7270/Q2Z03CKM
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139434 (US8889671, 71) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)N2[C@@H](CC#N)COC2=O)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C23H21FN6O7/c1-9-7-29-15-11(6-23(17(29)10(2)36-9)19(31)26-21(33)27-20(23)32)5-13-16(14(15)24)37-28-18(13)30-12(3-4-25)8-35-22(30)34/h5,9-10,12,17H,3,6-8H2,1-2H3,(H2,26,27,31,32,33)/t9-,10+,12+,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	160	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139390 (US8889671, 19) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)N2C[C@@H](CF)OC2=O)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C22H21F2N5O7/c1-8-6-28-14-10(4-22(16(28)9(2)34-8)18(30)25-20(32)26-19(22)31)3-12-15(13(14)24)36-27-17(12)29-7-11(5-23)35-21(29)33/h3,8-9,11,16H,4-7H2,1-2H3,(H2,25,26,30,31,32)/t8-,9+,11-,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	160	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139376 (US8889671, 5) Show SMILES C[C@H]1COC(=O)N1c1noc2c(F)c3N4C[C@@H](C)O[C@@H](C)[C@@H]4C4(Cc3cc12)C(=O)NC(=O)NC4=O |r| Show InChI InChI=1S/C22H22FN5O7/c1-8-7-33-21(32)28(8)17-12-4-11-5-22(18(29)24-20(31)25-19(22)30)16-10(3)34-9(2)6-27(16)14(11)13(23)15(12)35-26-17/h4,8-10,16H,5-7H2,1-3H3,(H2,24,25,29,30,31)/t8-,9+,10-,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	169	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139441 (US8889671, 80) Show SMILES COC[C@@H]1[C@@H](C)OC(=O)N1c1noc2c(F)c3N4C[C@@H](C)O[C@@H](C)[C@@H]4C4(Cc3cc12)C(=O)NC(=O)NC4=O |r| Show InChI InChI=1S/C24H26FN5O8/c1-9-7-29-16-12(6-24(18(29)11(3)36-9)20(31)26-22(33)27-21(24)32)5-13-17(15(16)25)38-28-19(13)30-14(8-35-4)10(2)37-23(30)34/h5,9-11,14,18H,6-8H2,1-4H3,(H2,26,27,31,32,33)/t9-,10-,11+,14-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	170	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139416 (US8889671, 46) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)N2[C@@H](CS(C)(=O)=O)COC2=O)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C23H24FN5O9S/c1-9-6-28-15-11(5-23(17(28)10(2)37-9)19(30)25-21(32)26-20(23)31)4-13-16(14(15)24)38-27-18(13)29-12(7-36-22(29)33)8-39(3,34)35/h4,9-10,12,17H,5-8H2,1-3H3,(H2,25,26,30,31,32)/t9-,10+,12-,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	170	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139429 (US8889671, 66) Show SMILES C[C@H]1COC(=O)N1c1noc2c(Cl)c3N4C[C@@H](C)O[C@@H](C)[C@@H]4C4(Cc3cc12)C(=O)NC(=O)NC4=O |r| Show InChI InChI=1S/C22H22ClN5O7/c1-8-7-33-21(32)28(8)17-12-4-11-5-22(18(29)24-20(31)25-19(22)30)16-10(3)34-9(2)6-27(16)14(11)13(23)15(12)35-26-17/h4,8-10,16H,5-7H2,1-3H3,(H2,24,25,29,30,31)/t8-,9+,10-,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	170	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139397 (US8889671, 26) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)N2C[C@@H](CO)OC2=O)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C22H22FN5O8/c1-8-5-27-14-10(4-22(16(27)9(2)34-8)18(30)24-20(32)25-19(22)31)3-12-15(13(14)23)36-26-17(12)28-6-11(7-29)35-21(28)33/h3,8-9,11,16,29H,4-7H2,1-2H3,(H2,24,25,30,31,32)/t8-,9+,11+,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	170	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139387 (US8889671, 16) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)N2[C@H](CF)COC2=O)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C22H21F2N5O7/c1-8-6-28-14-10(4-22(16(28)9(2)35-8)18(30)25-20(32)26-19(22)31)3-12-15(13(14)24)36-27-17(12)29-11(5-23)7-34-21(29)33/h3,8-9,11,16H,4-7H2,1-2H3,(H2,25,26,30,31,32)/t8-,9+,11-,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	190	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139419 (US8889671, 50) Show SMILES COCCOC[C@H]1COC(=O)N1c1noc2c(F)c3N4C[C@@H](C)O[C@@H](C)[C@@H]4C4(Cc3cc12)C(=O)NC(=O)NC4=O |r| Show InChI InChI=1S/C25H28FN5O9/c1-11-8-30-17-13(7-25(19(30)12(2)39-11)21(32)27-23(34)28-22(25)33)6-15-18(16(17)26)40-29-20(15)31-14(10-38-24(31)35)9-37-5-4-36-3/h6,11-12,14,19H,4-5,7-10H2,1-3H3,(H2,27,28,32,33,34)/t11-,12+,14+,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139393 (US8889671, 22) Show SMILES C[C@@H]1CN(C(=O)O1)c1noc2c(Cl)c3N4C[C@@H](C)O[C@@H](C)[C@@H]4C4(Cc3cc12)C(=O)NC(=O)NC4=O |r| Show InChI InChI=1S/C22H22ClN5O7/c1-8-6-27-14-11(5-22(16(27)10(3)33-8)18(29)24-20(31)25-19(22)30)4-12-15(13(14)23)35-26-17(12)28-7-9(2)34-21(28)32/h4,8-10,16H,5-7H2,1-3H3,(H2,24,25,29,30,31)/t8-,9-,10+,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	210	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139431 (US8889671, 68) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)N2[C@H](COC2=O)c2ncnn2C)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C24H23FN8O7/c1-9-6-32-15-11(5-24(17(32)10(2)39-9)20(34)28-22(36)29-21(24)35)4-12-16(14(15)25)40-30-18(12)33-13(7-38-23(33)37)19-26-8-27-31(19)3/h4,8-10,13,17H,5-7H2,1-3H3,(H2,28,29,34,35,36)/t9-,10+,13-,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	220	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139404 (US8889671, 34) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(noc4c(Cl)c23)N2[C@@H](CCCF)COC2=O)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C24H25ClFN5O7/c1-10-8-30-16-12(7-24(18(30)11(2)37-10)20(32)27-22(34)28-21(24)33)6-14-17(15(16)25)38-29-19(14)31-13(4-3-5-26)9-36-23(31)35/h6,10-11,13,18H,3-5,7-9H2,1-2H3,(H2,27,28,32,33,34)/t10-,11+,13+,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	230	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139396 (US8889671, 25) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)N2[C@@H](CC=C)COC2=O)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C24H24FN5O7/c1-4-5-13-9-35-23(34)30(13)19-14-6-12-7-24(20(31)26-22(33)27-21(24)32)18-11(3)36-10(2)8-29(18)16(12)15(25)17(14)37-28-19/h4,6,10-11,13,18H,1,5,7-9H2,2-3H3,(H2,26,27,31,32,33)/t10-,11+,13+,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139403 (US8889671, 33) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(noc4c(Cl)c23)N2[C@@H](CCCO)COC2=O)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C24H26ClN5O8/c1-10-8-29-16-12(7-24(18(29)11(2)37-10)20(32)26-22(34)27-21(24)33)6-14-17(15(16)25)38-28-19(14)30-13(4-3-5-31)9-36-23(30)35/h6,10-11,13,18,31H,3-5,7-9H2,1-2H3,(H2,26,27,32,33,34)/t10-,11+,13+,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139415 (US8889671, 45) Show SMILES CSC[C@H]1COC(=O)N1c1noc2c(F)c3N4C[C@@H](C)O[C@@H](C)[C@@H]4C4(Cc3cc12)C(=O)NC(=O)NC4=O |r| Show InChI InChI=1S/C23H24FN5O7S/c1-9-6-28-15-11(5-23(17(28)10(2)35-9)19(30)25-21(32)26-20(23)31)4-13-16(14(15)24)36-27-18(13)29-12(8-37-3)7-34-22(29)33/h4,9-10,12,17H,5-8H2,1-3H3,(H2,25,26,30,31,32)/t9-,10+,12-,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139399 (US8889671, 29) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)N2[C@@H](CCCO)COC2=O)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C24H26FN5O8/c1-10-8-29-16-12(7-24(18(29)11(2)37-10)20(32)26-22(34)27-21(24)33)6-14-17(15(16)25)38-28-19(14)30-13(4-3-5-31)9-36-23(30)35/h6,10-11,13,18,31H,3-5,7-9H2,1-2H3,(H2,26,27,32,33,34)/t10-,11+,13+,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	270	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139435 (US8889671, 72) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)N2[C@H](COC2=O)[C@@H](O)CO)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C23H24FN5O9/c1-8-5-28-15-10(4-23(17(28)9(2)37-8)19(32)25-21(34)26-20(23)33)3-11-16(14(15)24)38-27-18(11)29-12(13(31)6-30)7-36-22(29)35/h3,8-9,12-13,17,30-31H,4-7H2,1-2H3,(H2,25,26,32,33,34)/t8-,9+,12-,13+,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	290	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139412 (US8889671, 42) Show SMILES CON=C[C@H]1COC(=O)N1c1noc2c(F)c3N4C[C@@H](C)O[C@@H](C)[C@@H]4C4(Cc3cc12)C(=O)NC(=O)NC4=O |r,w:2.1| Show InChI InChI=1S/C23H23FN6O8/c1-9-7-29-15-11(5-23(17(29)10(2)37-9)19(31)26-21(33)27-20(23)32)4-13-16(14(15)24)38-28-18(13)30-12(6-25-35-3)8-36-22(30)34/h4,6,9-10,12,17H,5,7-8H2,1-3H3,(H2,26,27,31,32,33)/t9-,10+,12+,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	290	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139405 (US8889671, 35) Show SMILES COC[C@@H]1CN(C(=O)O1)c1noc2c(F)c3N4C[C@@H](C)O[C@@H](C)[C@@H]4C4(Cc3cc12)C(=O)NC(=O)NC4=O |r| Show InChI InChI=1S/C23H24FN5O8/c1-9-6-28-15-11(5-23(17(28)10(2)35-9)19(30)25-21(32)26-20(23)31)4-13-16(14(15)24)37-27-18(13)29-7-12(8-34-3)36-22(29)33/h4,9-10,12,17H,5-8H2,1-3H3,(H2,25,26,30,31,32)/t9-,10+,12+,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	310	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139388 (US8889671, 17 | US8889671, 67) Show SMILES COC[C@H]1COC(=O)N1c1noc2c(F)c3N4C[C@@H](C)O[C@@H](C)[C@@H]4C4(Cc3cc12)C(=O)NC(=O)NC4=O |r| Show InChI InChI=1S/C23H24FN5O8/c1-9-6-28-15-11(5-23(17(28)10(2)36-9)19(30)25-21(32)26-20(23)31)4-13-16(14(15)24)37-27-18(13)29-12(7-34-3)8-35-22(29)33/h4,9-10,12,17H,5-8H2,1-3H3,(H2,25,26,30,31,32)/t9-,10+,12+,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	330	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139447 (US8889671, 61 | US8889671, 63) Show SMILES C[C@@H]1CN2C([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)N2[C@@H](COC2=O)c2ncccn2)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C25H22FN7O7/c1-10-8-32-16-12(7-25(18(32)11(2)39-10)21(34)29-23(36)30-22(25)35)6-13-17(15(16)26)40-31-20(13)33-14(9-38-24(33)37)19-27-4-3-5-28-19/h3-6,10-11,14,18H,7-9H2,1-2H3,(H2,29,30,34,35,36)/t10-,11+,14+,18?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	340	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139436 (US8889671, 73) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)N2[C@H](COC2=O)[C@H](O)CO)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C23H24FN5O9/c1-8-5-28-15-10(4-23(17(28)9(2)37-8)19(32)25-21(34)26-20(23)33)3-11-16(14(15)24)38-27-18(11)29-12(13(31)6-30)7-36-22(29)35/h3,8-9,12-13,17,30-31H,4-7H2,1-2H3,(H2,25,26,32,33,34)/t8-,9+,12-,13-,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	340	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139418 (US8889671, 49) Show SMILES CCOC[C@H]1COC(=O)N1c1noc2c(F)c3N4C[C@@H](C)O[C@@H](C)[C@@H]4C4(Cc3cc12)C(=O)NC(=O)NC4=O |r| Show InChI InChI=1S/C24H26FN5O8/c1-4-35-8-13-9-36-23(34)30(13)19-14-5-12-6-24(20(31)26-22(33)27-21(24)32)18-11(3)37-10(2)7-29(18)16(12)15(25)17(14)38-28-19/h5,10-11,13,18H,4,6-9H2,1-3H3,(H2,26,27,31,32,33)/t10-,11+,13+,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	380	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139410 (US8889671, 40) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)N2C[C@@H](OC2=O)C=NO)C(=O)NC(=O)NC1=O |r,w:27.32| Show InChI InChI=1S/C22H21FN6O8/c1-8-6-28-14-10(4-22(16(28)9(2)35-8)18(30)25-20(32)26-19(22)31)3-12-15(13(14)23)37-27-17(12)29-7-11(5-24-34)36-21(29)33/h3,5,8-9,11,16,34H,4,6-7H2,1-2H3,(H2,25,26,30,31,32)/t8-,9+,11+,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	380	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139447 (US8889671, 61 | US8889671, 63) Show SMILES C[C@@H]1CN2C([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)N2[C@@H](COC2=O)c2ncccn2)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C25H22FN7O7/c1-10-8-32-16-12(7-25(18(32)11(2)39-10)21(34)29-23(36)30-22(25)35)6-13-17(15(16)26)40-31-20(13)33-14(9-38-24(33)37)19-27-4-3-5-28-19/h3-6,10-11,14,18H,7-9H2,1-2H3,(H2,29,30,34,35,36)/t10-,11+,14+,18?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	380	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139444 (US8889671, 53) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)N2C[C@@H](OC2=O)c2ccccn2)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C26H23FN6O7/c1-11-9-32-18-13(8-26(20(32)12(2)38-11)22(34)29-24(36)30-23(26)35)7-14-19(17(18)27)40-31-21(14)33-10-16(39-25(33)37)15-5-3-4-6-28-15/h3-7,11-12,16,20H,8-10H2,1-2H3,(H2,29,30,34,35,36)/t11-,12+,16-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	380	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139375 (US8889671, 4) Show SMILES C[C@@H]1CN(C(=O)O1)c1noc2c(F)c3N4C[C@@H](C)O[C@@H](C)[C@@H]4C4(Cc3cc12)C(=O)NC(=O)NC4=O |r| Show InChI InChI=1S/C22H22FN5O7/c1-8-6-27-14-11(5-22(16(27)10(3)33-8)18(29)24-20(31)25-19(22)30)4-12-15(13(14)23)35-26-17(12)28-7-9(2)34-21(28)32/h4,8-10,16H,5-7H2,1-3H3,(H2,24,25,29,30,31)/t8-,9-,10+,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	390	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM50518940 (CHEMBL4541988) Show SMILES OC(CNc1nc(=O)oc2ccc(F)cc12)CN1CCN(CC1)c1nccc2ccc(F)cc12 Show InChI InChI=1S/C24H23F2N5O3/c25-16-2-1-15-5-6-27-23(19(15)11-16)31-9-7-30(8-10-31)14-18(32)13-28-22-20-12-17(26)3-4-21(20)34-24(33)29-22/h1-6,11-12,18,32H,7-10,13-14H2,(H,28,29,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Angelini S.p.A. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ATCC 25922 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium bromid...				J Med Chem 62: 7445-7472 (2019) Article DOI: 10.1021/acs.jmedchem.9b00394 BindingDB Entry DOI: 10.7270/Q2Z03CKM
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139391 (US8889671, 20) Show SMILES COC[C@@H]1CN(C(=O)O1)c1noc2c(Cl)c3N4C[C@@H](C)O[C@@H](C)[C@@H]4C4(Cc3cc12)C(=O)NC(=O)NC4=O |r| Show InChI InChI=1S/C23H24ClN5O8/c1-9-6-28-15-11(5-23(17(28)10(2)35-9)19(30)25-21(32)26-20(23)31)4-13-16(14(15)24)37-27-18(13)29-7-12(8-34-3)36-22(29)33/h4,9-10,12,17H,5-8H2,1-3H3,(H2,25,26,30,31,32)/t9-,10+,12+,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	420	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139401 (US8889671, 31) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)N2[C@@H](CCO)COC2=O)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C23H24FN5O8/c1-9-7-28-15-11(6-23(17(28)10(2)36-9)19(31)25-21(33)26-20(23)32)5-13-16(14(15)24)37-27-18(13)29-12(3-4-30)8-35-22(29)34/h5,9-10,12,17,30H,3-4,6-8H2,1-2H3,(H2,25,26,31,32,33)/t9-,10+,12+,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	420	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139420 (US8889671, 51) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)N2[C@H](COC2=O)C(F)F)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C22H20F3N5O7/c1-7-5-29-13-9(4-22(15(29)8(2)36-7)18(31)26-20(33)27-19(22)32)3-10-14(12(13)23)37-28-17(10)30-11(16(24)25)6-35-21(30)34/h3,7-8,11,15-16H,4-6H2,1-2H3,(H2,26,27,31,32,33)/t7-,8+,11-,15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	430	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139413 (US8889671, 43) Show SMILES CON=C[C@H]1CN(C(=O)O1)c1noc2c(F)c3N4C[C@@H](C)O[C@@H](C)[C@@H]4C4(Cc3cc12)C(=O)NC(=O)NC4=O |r,w:2.1| Show InChI InChI=1S/C23H23FN6O8/c1-9-7-29-15-11(5-23(17(29)10(2)36-9)19(31)26-21(33)27-20(23)32)4-13-16(14(15)24)38-28-18(13)30-8-12(6-25-35-3)37-22(30)34/h4,6,9-10,12,17H,5,7-8H2,1-3H3,(H2,26,27,31,32,33)/t9-,10+,12+,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	440	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139440 (US8889671, 78) Show SMILES C[C@H]1OC(=O)N([C@H]1CF)c1noc2c(F)c3N4C[C@@H](C)O[C@@H](C)[C@@H]4C4(Cc3cc12)C(=O)NC(=O)NC4=O |r| Show InChI InChI=1S/C23H23F2N5O7/c1-8-7-29-15-11(5-23(17(29)10(3)35-8)19(31)26-21(33)27-20(23)32)4-12-16(14(15)25)37-28-18(12)30-13(6-24)9(2)36-22(30)34/h4,8-10,13,17H,5-7H2,1-3H3,(H2,26,27,31,32,33)/t8-,9-,10+,13+,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	440	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139411 (US8889671, 41) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)N2[C@H](COC2=O)C#N)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C22H19FN6O7/c1-8-6-28-14-10(4-22(16(28)9(2)35-8)18(30)25-20(32)26-19(22)31)3-12-15(13(14)23)36-27-17(12)29-11(5-24)7-34-21(29)33/h3,8-9,11,16H,4,6-7H2,1-2H3,(H2,25,26,30,31,32)/t8-,9+,11+,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	460	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139437 (US8889671, 74) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)N2[C@H](COC2=O)C=NO)C(=O)NC(=O)NC1=O |r,w:27.32| Show InChI InChI=1S/C22H21FN6O8/c1-8-6-28-14-10(4-22(16(28)9(2)36-8)18(30)25-20(32)26-19(22)31)3-12-15(13(14)23)37-27-17(12)29-11(5-24-34)7-35-21(29)33/h3,5,8-9,11,16,34H,4,6-7H2,1-2H3,(H2,25,26,30,31,32)/t8-,9+,11+,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	470	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM50518939 (CHEMBL4531900) Show SMILES O=c1cc(NCCCN2CCN(CC2)c2nccc3ccccc23)c2ccccc2o1 Show InChI InChI=1S/C25H26N4O2/c30-24-18-22(21-8-3-4-9-23(21)31-24)26-11-5-13-28-14-16-29(17-15-28)25-20-7-2-1-6-19(20)10-12-27-25/h1-4,6-10,12,18,26H,5,11,13-17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Angelini S.p.A. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ATCC 25922 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium bromid...				J Med Chem 62: 7445-7472 (2019) Article DOI: 10.1021/acs.jmedchem.9b00394 BindingDB Entry DOI: 10.7270/Q2Z03CKM
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139400 (US8889671, 30) Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)N2[C@@H](CCCF)COC2=O)C(=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C24H25F2N5O7/c1-10-8-30-16-12(7-24(18(30)11(2)37-10)20(32)27-22(34)28-21(24)33)6-14-17(15(16)26)38-29-19(14)31-13(4-3-5-25)9-36-23(31)35/h6,10-11,13,18H,3-5,7-9H2,1-2H3,(H2,27,28,32,33,34)/t10-,11+,13+,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair
DNA gyrase subunit A (Escherichia coli (strain K12))	BDBM139384 (US8889671, 13) Show SMILES CC[C@H]1CN(C(=O)O1)c1noc2c(F)c3N4C[C@@H](C)O[C@@H](C)[C@@H]4C4(Cc3cc12)C(=O)NC(=O)NC4=O |r| Show InChI InChI=1S/C23H24FN5O7/c1-4-12-8-29(22(33)35-12)18-13-5-11-6-23(19(30)25-21(32)26-20(23)31)17-10(3)34-9(2)7-28(17)15(11)14(24)16(13)36-27-18/h5,9-10,12,17H,4,6-8H2,1-3H3,(H2,25,26,30,31,32)/t9-,10+,12+,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	510	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...				US Patent US8889671 (2014) BindingDB Entry DOI: 10.7270/Q22J69JX
					More data for this Ligand-Target Pair

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