Compile Data Set for Download or QSAR

Found 80 hits with Last Name = 'reinelt' and Initial = 's'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330319 ((3R,4S,5R,6S)-6-(8-chloro-4-hydroxy-3-(4-hydroxy-3...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4cc(C)c(O)c(C)c4)c(=O)oc3c2Cl)OC1(C)C |r| Show InChI InChI=1S/C32H33ClN2O11/c1-13-11-16(12-14(2)22(13)36)28(39)35-21-23(37)17-8-10-19(20(33)25(17)44-30(21)41)43-31-24(38)26(27(42-6)32(4,5)46-31)45-29(40)18-9-7-15(3)34-18/h7-12,24,26-27,31,34,36-38H,1-6H3,(H,35,39)/t24-,26+,27-,31-/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	17	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330315 ((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...) Show SMILES CCCc1cc(ccc1O)C(=O)Nc1c(O)c2ccc(O[C@@H]3OC(C)(C)[C@H](OC)[C@@H](OC(=O)c4ccc(C)[nH]4)[C@H]3O)c(C)c2oc1=O |r| Show InChI InChI=1S/C34H38N2O11/c1-7-8-18-15-19(10-13-22(18)37)30(40)36-24-25(38)20-11-14-23(17(3)27(20)45-32(24)42)44-33-26(39)28(29(43-6)34(4,5)47-33)46-31(41)21-12-9-16(2)35-21/h9-15,26,28-29,33,35,37-39H,7-8H2,1-6H3,(H,36,40)/t26-,28+,29-,33-/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	19	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330314 ((3R,4S,5R,6S)-6-(8-chloro-4-hydroxy-3-(4-(methylth...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(SC)cc4)c(=O)oc3c2Cl)OC1(C)C |r| Show InChI InChI=1S/C31H31ClN2O10S/c1-14-6-12-18(33-14)28(38)43-25-23(36)30(44-31(2,3)26(25)40-4)41-19-13-11-17-22(35)21(29(39)42-24(17)20(19)32)34-27(37)15-7-9-16(45-5)10-8-15/h6-13,23,25-26,30,33,35-36H,1-5H3,(H,34,37)/t23-,25+,26-,30-/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	20	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330309 ((3R,4S,5R,6S)-6-(8-chloro-4-hydroxy-3-(4-hydroxy-3...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(OC)c4)c(=O)oc3c2Cl)OC1(C)C |r| Show InChI InChI=1S/C31H31ClN2O12/c1-13-6-9-16(33-13)28(39)45-25-23(37)30(46-31(2,3)26(25)42-5)43-18-11-8-15-22(36)21(29(40)44-24(15)20(18)32)34-27(38)14-7-10-17(35)19(12-14)41-4/h6-12,23,25-26,30,33,35-37H,1-5H3,(H,34,38)/t23-,25+,26-,30-/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	22	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330313 ((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(OC)c4)c(=O)oc3c2C)OC1(C)C |r| Show InChI InChI=1S/C32H34N2O12/c1-14-7-10-18(33-14)29(39)45-26-24(37)31(46-32(3,4)27(26)42-6)43-20-12-9-17-23(36)22(30(40)44-25(17)15(20)2)34-28(38)16-8-11-19(35)21(13-16)41-5/h7-13,24,26-27,31,33,35-37H,1-6H3,(H,34,38)/t24-,26+,27-,31-/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	25	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330307 ((3R,4S,5R,6S)-6-(8-chloro-3-((E)-3-(3-chloro-4-hyd...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)\C=C\c4ccc(O)c(Cl)c4)c(=O)oc3c2Cl)OC1(C)C |r| Show InChI InChI=1S/C32H30Cl2N2O11/c1-14-5-9-18(35-14)29(41)46-27-25(40)31(47-32(2,3)28(27)43-4)44-20-11-8-16-24(39)23(30(42)45-26(16)22(20)34)36-21(38)12-7-15-6-10-19(37)17(33)13-15/h5-13,25,27-28,31,35,37,39-40H,1-4H3,(H,36,38)/b12-7+/t25-,27+,28-,31-/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	32	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330312 ((3R,4S,5R,6S)-6-(8-chloro-3-cinnamamido-4-hydroxy-...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)\C=C\c4ccccc4)c(=O)oc3c2Cl)OC1(C)C |r| Show InChI InChI=1S/C32H31ClN2O10/c1-16-10-13-19(34-16)29(39)44-27-25(38)31(45-32(2,3)28(27)41-4)42-20-14-12-18-24(37)23(30(40)43-26(18)22(20)33)35-21(36)15-11-17-8-6-5-7-9-17/h5-15,25,27-28,31,34,37-38H,1-4H3,(H,35,36)/b15-11+/t25-,27+,28-,31-/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	34	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330310 ((3R,4S,5R,6R)-6-(3-(3-allyl-4-hydroxybenzamido)-4-...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C)c4)c(=O)oc3c2C)OC1(C)C |r| Show InChI InChI=1S/C34H36N2O11/c1-7-8-18-15-19(10-13-22(18)37)30(40)36-24-25(38)20-11-14-23(17(3)27(20)45-32(24)42)44-33-26(39)28(29(43-6)34(4,5)47-33)46-31(41)21-12-9-16(2)35-21/h7,9-15,26,28-29,33,35,37-39H,1,8H2,2-6H3,(H,36,40)/t26-,28+,29-,33-/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	34	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330316 ((3R,4S,5R,6S)-6-(8-chloro-4-hydroxy-3-(4-hydroxy-3...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(NC(=O)C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C |r| Show InChI InChI=1S/C34H36ClN3O12/c1-14(2)29(42)37-19-13-16(8-11-20(19)39)30(43)38-23-24(40)17-9-12-21(22(35)26(17)48-32(23)45)47-33-25(41)27(28(46-6)34(4,5)50-33)49-31(44)18-10-7-15(3)36-18/h7-14,25,27-28,33,36,39-41H,1-6H3,(H,37,42)(H,38,43)/t25-,27+,28-,33-/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	41	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330302 ((3R,4S,5R,6S)-6-(8-chloro-4-hydroxy-3-((E)-3-(4-hy...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)\C=C\c4ccc(O)c(OC)c4)c(=O)oc3c2Cl)OC1(C)C |r| Show InChI InChI=1S/C33H33ClN2O12/c1-15-6-10-18(35-15)30(41)47-28-26(40)32(48-33(2,3)29(28)44-5)45-20-12-9-17-25(39)24(31(42)46-27(17)23(20)34)36-22(38)13-8-16-7-11-19(37)21(14-16)43-4/h6-14,26,28-29,32,35,37,39-40H,1-5H3,(H,36,38)/b13-8+/t26-,28+,29-,32-/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	43	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330306 ((3R,4S,5R,6R)-6-(3-(4-amino-3-methylbenzamido)-4-h...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(N)c(C)c4)c(=O)oc3c2C)OC1(C)C |r| Show InChI InChI=1S/C32H35N3O10/c1-14-13-17(8-10-19(14)33)28(38)35-22-23(36)18-9-12-21(16(3)25(18)43-30(22)40)42-31-24(37)26(27(41-6)32(4,5)45-31)44-29(39)20-11-7-15(2)34-20/h7-13,24,26-27,31,34,36-37H,33H2,1-6H3,(H,35,38)/t24-,26+,27-,31-/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	44	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330304 ((3R,4S,5R,6R)-6-(3-benzamido-4-hydroxy-2-oxo-2H-ch...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccccc4)c(=O)oc3c2)OC1(C)C |r| Show InChI InChI=1S/C30H30N2O10/c1-15-10-13-19(31-15)27(36)41-24-23(34)29(42-30(2,3)25(24)38-4)39-17-11-12-18-20(14-17)40-28(37)21(22(18)33)32-26(35)16-8-6-5-7-9-16/h5-14,23-25,29,31,33-34H,1-4H3,(H,32,35)/t23-,24+,25-,29-/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	50	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330319 ((3R,4S,5R,6S)-6-(8-chloro-4-hydroxy-3-(4-hydroxy-3...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4cc(C)c(O)c(C)c4)c(=O)oc3c2Cl)OC1(C)C |r| Show InChI InChI=1S/C32H33ClN2O11/c1-13-11-16(12-14(2)22(13)36)28(39)35-21-23(37)17-8-10-19(20(33)25(17)44-30(21)41)43-31-24(38)26(27(42-6)32(4,5)46-31)45-29(40)18-9-7-15(3)34-18/h7-12,24,26-27,31,34,36-38H,1-6H3,(H,35,39)/t24-,26+,27-,31-/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	65	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330318 ((3R,4S,5R,6S)-6-(3-benzamido-8-chloro-4-hydroxy-2-...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccccc4)c(=O)oc3c2Cl)OC1(C)C |r| Show InChI InChI=1S/C30H29ClN2O10/c1-14-10-12-17(32-14)27(37)42-24-22(35)29(43-30(2,3)25(24)39-4)40-18-13-11-16-21(34)20(28(38)41-23(16)19(18)31)33-26(36)15-8-6-5-7-9-15/h5-13,22,24-25,29,32,34-35H,1-4H3,(H,33,36)/t22-,24+,25-,29-/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	72	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330316 ((3R,4S,5R,6S)-6-(8-chloro-4-hydroxy-3-(4-hydroxy-3...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(NC(=O)C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C |r| Show InChI InChI=1S/C34H36ClN3O12/c1-14(2)29(42)37-19-13-16(8-11-20(19)39)30(43)38-23-24(40)17-9-12-21(22(35)26(17)48-32(23)45)47-33-25(41)27(28(46-6)34(4,5)50-33)49-31(44)18-10-7-15(3)36-18/h7-14,25,27-28,33,36,39-41H,1-6H3,(H,37,42)(H,38,43)/t25-,27+,28-,33-/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	73	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330317 (5-Methyl-1H-pyrrole-2-carboxylic acid (3R,4S,5R,6S...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C |r,wU:3.3,13.14,wD:2.1,15.16,(-8.34,-2.73,;-8.34,-1.19,;-7.01,-.42,;-7.01,1.12,;-8.34,1.89,;-9.68,1.12,;-9.68,-.42,;-11.01,1.89,;-11.17,3.42,;-12.68,3.74,;-13.45,2.4,;-14.98,2.24,;-12.42,1.26,;-5.68,1.89,;-5.68,3.43,;-4.34,1.12,;-3.01,1.89,;-1.67,1.12,;-1.67,-.42,;-.34,-1.19,;.99,-.42,;2.33,-1.19,;2.33,-2.73,;3.66,-.42,;4.99,-1.19,;6.33,-.42,;6.33,1.12,;7.66,-1.19,;7.66,-2.73,;8.99,-3.5,;10.33,-2.73,;11.66,-3.5,;10.33,-1.19,;11.66,-.42,;13,-1.19,;14.33,-.42,;15.66,-1.19,;14.33,1.12,;8.99,-.42,;3.66,1.12,;4.99,1.89,;2.33,1.89,;.99,1.12,;-.34,1.89,;-.34,3.43,;-4.34,-.42,;-5.68,-1.19,;-6.67,-2.37,;-4.69,-2.37,)| Show InChI InChI=1S/C35H37ClN2O11/c1-16(2)7-9-18-15-19(10-13-22(18)39)31(42)38-25-26(40)20-11-14-23(24(36)28(20)47-33(25)44)46-34-27(41)29(30(45-6)35(4,5)49-34)48-32(43)21-12-8-17(3)37-21/h7-8,10-15,27,29-30,34,37,39-41H,9H2,1-6H3,(H,38,42)/t27-,29+,30-,34-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330305 ((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(OC)c4)c(=O)oc3c2)OC1(C)C |r| Show InChI InChI=1S/C31H32N2O12/c1-14-6-10-18(32-14)28(38)44-25-24(36)30(45-31(2,3)26(25)41-5)42-16-8-9-17-20(13-16)43-29(39)22(23(17)35)33-27(37)15-7-11-19(34)21(12-15)40-4/h6-13,24-26,30,32,34-36H,1-5H3,(H,33,37)/t24-,25+,26-,30-/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	75	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330315 ((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...) Show SMILES CCCc1cc(ccc1O)C(=O)Nc1c(O)c2ccc(O[C@@H]3OC(C)(C)[C@H](OC)[C@@H](OC(=O)c4ccc(C)[nH]4)[C@H]3O)c(C)c2oc1=O |r| Show InChI InChI=1S/C34H38N2O11/c1-7-8-18-15-19(10-13-22(18)37)30(40)36-24-25(38)20-11-14-23(17(3)27(20)45-32(24)42)44-33-26(39)28(29(43-6)34(4,5)47-33)46-31(41)21-12-9-16(2)35-21/h9-15,26,28-29,33,35,37-39H,7-8H2,1-6H3,(H,36,40)/t26-,28+,29-,33-/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	84	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330314 ((3R,4S,5R,6S)-6-(8-chloro-4-hydroxy-3-(4-(methylth...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(SC)cc4)c(=O)oc3c2Cl)OC1(C)C |r| Show InChI InChI=1S/C31H31ClN2O10S/c1-14-6-12-18(33-14)28(38)43-25-23(36)30(44-31(2,3)26(25)40-4)41-19-13-11-17-22(35)21(29(39)42-24(17)20(19)32)34-27(37)15-7-9-16(45-5)10-8-15/h6-13,23,25-26,30,33,35-36H,1-5H3,(H,34,37)/t23-,25+,26-,30-/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	84	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330313 ((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(OC)c4)c(=O)oc3c2C)OC1(C)C |r| Show InChI InChI=1S/C32H34N2O12/c1-14-7-10-18(33-14)29(39)45-26-24(37)31(46-32(3,4)27(26)42-6)43-20-12-9-17-23(36)22(30(40)44-25(17)15(20)2)34-28(38)16-8-11-19(35)21(13-16)41-5/h7-13,24,26-27,31,33,35-37H,1-6H3,(H,34,38)/t24-,26+,27-,31-/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	86	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330312 ((3R,4S,5R,6S)-6-(8-chloro-3-cinnamamido-4-hydroxy-...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)\C=C\c4ccccc4)c(=O)oc3c2Cl)OC1(C)C |r| Show InChI InChI=1S/C32H31ClN2O10/c1-16-10-13-19(34-16)29(39)44-27-25(38)31(45-32(2,3)28(27)41-4)42-20-14-12-18-24(37)23(30(40)43-26(18)22(20)33)35-21(36)15-11-17-8-6-5-7-9-17/h5-15,25,27-28,31,34,37-38H,1-4H3,(H,35,36)/b15-11+/t25-,27+,28-,31-/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	90	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330311 ((3R,4S,5R,6R)-6-(3-cinnamamido-4-hydroxy-8-methyl-...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)\C=C\c4ccccc4)c(=O)oc3c2C)OC1(C)C |r| Show InChI InChI=1S/C33H34N2O10/c1-17-11-14-21(34-17)30(39)44-28-26(38)32(45-33(3,4)29(28)41-5)42-22-15-13-20-25(37)24(31(40)43-27(20)18(22)2)35-23(36)16-12-19-9-7-6-8-10-19/h6-16,26,28-29,32,34,37-38H,1-5H3,(H,35,36)/b16-12+/t26-,28+,29-,32-/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	106	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330299 ((2S,3R,4R,5R)-2-(3-benzamido-8-chloro-4-hydroxy-2-...) Show SMILES CO[C@@H]1[C@@H](O)[C@@H](OC(=O)c2ccc(C)[nH]2)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccccc4)c(=O)oc3c2Cl)OC1(C)C |r| Show InChI InChI=1S/C30H29ClN2O10/c1-14-10-12-17(32-14)27(37)42-24-22(35)25(39-4)30(2,3)43-29(24)40-18-13-11-16-21(34)20(28(38)41-23(16)19(18)31)33-26(36)15-8-6-5-7-9-15/h5-13,22,24-25,29,32,34-35H,1-4H3,(H,33,36)/t22-,24+,25+,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330310 ((3R,4S,5R,6R)-6-(3-(3-allyl-4-hydroxybenzamido)-4-...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C)c4)c(=O)oc3c2C)OC1(C)C |r| Show InChI InChI=1S/C34H36N2O11/c1-7-8-18-15-19(10-13-22(18)37)30(40)36-24-25(38)20-11-14-23(17(3)27(20)45-32(24)42)44-33-26(39)28(29(43-6)34(4,5)47-33)46-31(41)21-12-9-16(2)35-21/h7,9-15,26,28-29,33,35,37-39H,1,8H2,2-6H3,(H,36,40)/t26-,28+,29-,33-/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	116	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330303 ((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4cc(C)c(O)c(C)c4)c(=O)oc3c2)OC1(C)C |r| Show InChI InChI=1S/C32H34N2O11/c1-14-11-17(12-15(2)23(14)35)28(38)34-22-24(36)19-9-8-18(13-21(19)43-30(22)40)42-31-25(37)26(27(41-6)32(4,5)45-31)44-29(39)20-10-7-16(3)33-20/h7-13,25-27,31,33,35-37H,1-6H3,(H,34,38)/t25-,26+,27-,31-/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	120	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330309 ((3R,4S,5R,6S)-6-(8-chloro-4-hydroxy-3-(4-hydroxy-3...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(OC)c4)c(=O)oc3c2Cl)OC1(C)C |r| Show InChI InChI=1S/C31H31ClN2O12/c1-13-6-9-16(33-13)28(39)45-25-23(37)30(46-31(2,3)26(25)42-5)43-18-11-8-15-22(36)21(29(40)44-24(15)20(18)32)34-27(38)14-7-10-17(35)19(12-14)41-4/h6-12,23,25-26,30,33,35-37H,1-5H3,(H,34,38)/t23-,25+,26-,30-/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	122	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330308 ((3R,4S,5R,6R)-6-(3-benzamido-4-hydroxy-8-methyl-2-...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccccc4)c(=O)oc3c2C)OC1(C)C |r| Show InChI InChI=1S/C31H32N2O10/c1-15-11-13-19(32-15)28(37)42-25-23(35)30(43-31(3,4)26(25)39-5)40-20-14-12-18-22(34)21(29(38)41-24(18)16(20)2)33-27(36)17-9-7-6-8-10-17/h6-14,23,25-26,30,32,34-35H,1-5H3,(H,33,36)/t23-,25+,26-,30-/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	131	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330307 ((3R,4S,5R,6S)-6-(8-chloro-3-((E)-3-(3-chloro-4-hyd...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)\C=C\c4ccc(O)c(Cl)c4)c(=O)oc3c2Cl)OC1(C)C |r| Show InChI InChI=1S/C32H30Cl2N2O11/c1-14-5-9-18(35-14)29(41)46-27-25(40)31(47-32(2,3)28(27)43-4)44-20-11-8-16-24(39)23(30(42)45-26(16)22(20)34)36-21(38)12-7-15-6-10-19(37)17(33)13-15/h5-13,25,27-28,31,35,37,39-40H,1-4H3,(H,36,38)/b12-7+/t25-,27+,28-,31-/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	137	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330295 ((2R,3R,4R,5R)-4-hydroxy-2-(4-hydroxy-3-(4-hydroxy-...) Show SMILES CCCc1cc(ccc1O)C(=O)Nc1c(O)c2ccc(O[C@@H]3OC(C)(C)[C@H](OC)[C@@H](O)[C@H]3OC(=O)c3ccc(C)[nH]3)c(C)c2oc1=O |r| Show InChI InChI=1S/C34H38N2O11/c1-7-8-18-15-19(10-13-22(18)37)30(40)36-24-25(38)20-11-14-23(17(3)27(20)45-32(24)42)44-33-28(26(39)29(43-6)34(4,5)47-33)46-31(41)21-12-9-16(2)35-21/h9-15,26,28-29,33,35,37-39H,7-8H2,1-6H3,(H,36,40)/t26-,28+,29+,33+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330306 ((3R,4S,5R,6R)-6-(3-(4-amino-3-methylbenzamido)-4-h...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(N)c(C)c4)c(=O)oc3c2C)OC1(C)C |r| Show InChI InChI=1S/C32H35N3O10/c1-14-13-17(8-10-19(14)33)28(38)35-22-23(36)18-9-12-21(16(3)25(18)43-30(22)40)42-31-24(37)26(27(41-6)32(4,5)45-31)44-29(39)20-11-7-15(2)34-20/h7-13,24,26-27,31,34,36-37H,33H2,1-6H3,(H,35,38)/t24-,26+,27-,31-/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	152	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50423645 (Albamycin | Cathomycin | NOVOBIOCIN) 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] 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-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	154	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330305 ((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(OC)c4)c(=O)oc3c2)OC1(C)C |r| Show InChI InChI=1S/C31H32N2O12/c1-14-6-10-18(32-14)28(38)44-25-24(36)30(45-31(2,3)26(25)41-5)42-16-8-9-17-20(13-16)43-29(39)22(23(17)35)33-27(37)15-7-11-19(34)21(12-15)40-4/h6-13,24-26,30,32,34-36H,1-5H3,(H,33,37)/t24-,25+,26-,30-/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	185	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330294 ((2R,3R,4R,5R)-2-(3-(4-amino-3-methylbenzamido)-4-h...) Show SMILES CO[C@@H]1[C@@H](O)[C@@H](OC(=O)c2ccc(C)[nH]2)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(N)c(C)c4)c(=O)oc3c2C)OC1(C)C |r| Show InChI InChI=1S/C32H35N3O10/c1-14-13-17(8-10-19(14)33)28(38)35-22-23(36)18-9-12-21(16(3)25(18)43-30(22)40)42-31-26(24(37)27(41-6)32(4,5)45-31)44-29(39)20-11-7-15(2)34-20/h7-13,24,26-27,31,34,36-37H,33H2,1-6H3,(H,35,38)/t24-,26+,27+,31+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50423645 (Albamycin | Cathomycin | NOVOBIOCIN) 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] 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-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330304 ((3R,4S,5R,6R)-6-(3-benzamido-4-hydroxy-2-oxo-2H-ch...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccccc4)c(=O)oc3c2)OC1(C)C |r| Show InChI InChI=1S/C30H30N2O10/c1-15-10-13-19(31-15)27(36)41-24-23(34)29(42-30(2,3)25(24)38-4)39-17-11-12-18-20(14-17)40-28(37)21(22(18)33)32-26(35)16-8-6-5-7-9-16/h5-14,23-25,29,31,33-34H,1-4H3,(H,32,35)/t23-,24+,25-,29-/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	219	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330303 ((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4cc(C)c(O)c(C)c4)c(=O)oc3c2)OC1(C)C |r| Show InChI InChI=1S/C32H34N2O11/c1-14-11-17(12-15(2)23(14)35)28(38)34-22-24(36)19-9-8-18(13-21(19)43-30(22)40)42-31-25(37)26(27(41-6)32(4,5)45-31)44-29(39)20-10-7-16(3)33-20/h7-13,25-27,31,33,35-37H,1-6H3,(H,34,38)/t25-,26+,27-,31-/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	229	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330302 ((3R,4S,5R,6S)-6-(8-chloro-4-hydroxy-3-((E)-3-(4-hy...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)\C=C\c4ccc(O)c(OC)c4)c(=O)oc3c2Cl)OC1(C)C |r| Show InChI InChI=1S/C33H33ClN2O12/c1-15-6-10-18(35-15)30(41)47-28-26(40)32(48-33(2,3)29(28)44-5)45-20-12-9-17-25(39)24(31(42)46-27(17)23(20)34)36-22(38)13-8-16-7-11-19(37)21(14-16)43-4/h6-14,26,28-29,32,35,37,39-40H,1-5H3,(H,36,38)/b13-8+/t26-,28+,29-,32-/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	263	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330301 ((3R,4S,5R,6R)-6-(3-((E)-3-(3-chloro-4-hydroxypheny...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)\C=C\c4ccc(O)c(Cl)c4)c(=O)oc3c2)OC1(C)C |r| Show InChI InChI=1S/C32H31ClN2O11/c1-15-5-10-20(34-15)29(40)45-27-26(39)31(46-32(2,3)28(27)42-4)43-17-8-9-18-22(14-17)44-30(41)24(25(18)38)35-23(37)12-7-16-6-11-21(36)19(33)13-16/h5-14,26-28,31,34,36,38-39H,1-4H3,(H,35,37)/b12-7+/t26-,27+,28-,31-/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	276	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330301 ((3R,4S,5R,6R)-6-(3-((E)-3-(3-chloro-4-hydroxypheny...) Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)\C=C\c4ccc(O)c(Cl)c4)c(=O)oc3c2)OC1(C)C |r| Show InChI InChI=1S/C32H31ClN2O11/c1-15-5-10-20(34-15)29(40)45-27-26(39)31(46-32(2,3)28(27)42-4)43-17-8-9-18-22(14-17)44-30(41)24(25(18)38)35-23(37)12-7-16-6-11-21(36)19(33)13-16/h5-14,26-28,31,34,36,38-39H,1-4H3,(H,35,37)/b12-7+/t26-,27+,28-,31-/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	280	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330300 ((2S,3R,4R,5R)-2-(8-chloro-4-hydroxy-3-(4-(methylth...) Show SMILES CO[C@@H]1[C@@H](O)[C@@H](OC(=O)c2ccc(C)[nH]2)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(SC)cc4)c(=O)oc3c2Cl)OC1(C)C |r| Show InChI InChI=1S/C31H31ClN2O10S/c1-14-6-12-18(33-14)28(38)43-25-23(36)26(40-4)31(2,3)44-30(25)41-19-13-11-17-22(35)21(29(39)42-24(17)20(19)32)34-27(37)15-7-9-16(45-5)10-8-15/h6-13,23,25-26,30,33,35-36H,1-5H3,(H,34,37)/t23-,25+,26+,30+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330299 ((2S,3R,4R,5R)-2-(3-benzamido-8-chloro-4-hydroxy-2-...) Show SMILES CO[C@@H]1[C@@H](O)[C@@H](OC(=O)c2ccc(C)[nH]2)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccccc4)c(=O)oc3c2Cl)OC1(C)C |r| Show InChI InChI=1S/C30H29ClN2O10/c1-14-10-12-17(32-14)27(37)42-24-22(35)25(39-4)30(2,3)43-29(24)40-18-13-11-16-21(34)20(28(38)41-23(16)19(18)31)33-26(36)15-8-6-5-7-9-15/h5-13,22,24-25,29,32,34-35H,1-4H3,(H,33,36)/t22-,24+,25+,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	297	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330298 ((2S,3R,4R,5R)-2-(8-chloro-4-hydroxy-3-(4-hydroxy-3...) Show SMILES CO[C@@H]1[C@@H](O)[C@@H](OC(=O)c2ccc(C)[nH]2)[C@H](Oc2ccc3c(O)c(NC(=O)c4cc(C)c(O)c(C)c4)c(=O)oc3c2Cl)OC1(C)C |r| Show InChI InChI=1S/C32H33ClN2O11/c1-13-11-16(12-14(2)22(13)36)28(39)35-21-23(37)17-8-10-19(20(33)25(17)44-30(21)41)43-31-26(24(38)27(42-6)32(4,5)46-31)45-29(40)18-9-7-15(3)34-18/h7-12,24,26-27,31,34,36-38H,1-6H3,(H,35,39)/t24-,26+,27+,31+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330298 ((2S,3R,4R,5R)-2-(8-chloro-4-hydroxy-3-(4-hydroxy-3...) Show SMILES CO[C@@H]1[C@@H](O)[C@@H](OC(=O)c2ccc(C)[nH]2)[C@H](Oc2ccc3c(O)c(NC(=O)c4cc(C)c(O)c(C)c4)c(=O)oc3c2Cl)OC1(C)C |r| Show InChI InChI=1S/C32H33ClN2O11/c1-13-11-16(12-14(2)22(13)36)28(39)35-21-23(37)17-8-10-19(20(33)25(17)44-30(21)41)43-31-26(24(38)27(42-6)32(4,5)46-31)45-29(40)18-9-7-15(3)34-18/h7-12,24,26-27,31,34,36-38H,1-6H3,(H,35,39)/t24-,26+,27+,31+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	376	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330293 ((2S,3R,4R,5R)-2-(8-chloro-4-hydroxy-3-(4-hydroxy-3...) Show SMILES CO[C@@H]1[C@@H](O)[C@@H](OC(=O)c2ccc(C)[nH]2)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(OC)c4)c(=O)oc3c2Cl)OC1(C)C |r| Show InChI InChI=1S/C31H31ClN2O12/c1-13-6-9-16(33-13)28(39)45-25-23(37)26(42-5)31(2,3)46-30(25)43-18-11-8-15-22(36)21(29(40)44-24(15)20(18)32)34-27(38)14-7-10-17(35)19(12-14)41-4/h6-12,23,25-26,30,33,35-37H,1-5H3,(H,34,38)/t23-,25+,26+,30+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330292 ((2R,3R,4R,5R)-2-(3-(3-allyl-4-hydroxybenzamido)-4-...) Show SMILES CO[C@@H]1[C@@H](O)[C@@H](OC(=O)c2ccc(C)[nH]2)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C)c4)c(=O)oc3c2C)OC1(C)C |r| Show InChI InChI=1S/C34H36N2O11/c1-7-8-18-15-19(10-13-22(18)37)30(40)36-24-25(38)20-11-14-23(17(3)27(20)45-32(24)42)44-33-28(26(39)29(43-6)34(4,5)47-33)46-31(41)21-12-9-16(2)35-21/h7,9-15,26,28-29,33,35,37-39H,1,8H2,2-6H3,(H,36,40)/t26-,28+,29+,33+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330297 ((2S,3R,4R,5R)-2-(8-chloro-3-cinnamamido-4-hydroxy-...) Show SMILES CO[C@@H]1[C@@H](O)[C@@H](OC(=O)c2ccc(C)[nH]2)[C@H](Oc2ccc3c(O)c(NC(=O)\C=C\c4ccccc4)c(=O)oc3c2Cl)OC1(C)C |r| Show InChI InChI=1S/C32H31ClN2O10/c1-16-10-13-19(34-16)29(39)44-27-25(38)28(41-4)32(2,3)45-31(27)42-20-14-12-18-24(37)23(30(40)43-26(18)22(20)33)35-21(36)15-11-17-8-6-5-7-9-17/h5-15,25,27-28,31,34,37-38H,1-4H3,(H,35,36)/b15-11+/t25-,27+,28+,31+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	598	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330295 ((2R,3R,4R,5R)-4-hydroxy-2-(4-hydroxy-3-(4-hydroxy-...) Show SMILES CCCc1cc(ccc1O)C(=O)Nc1c(O)c2ccc(O[C@@H]3OC(C)(C)[C@H](OC)[C@@H](O)[C@H]3OC(=O)c3ccc(C)[nH]3)c(C)c2oc1=O |r| Show InChI InChI=1S/C34H38N2O11/c1-7-8-18-15-19(10-13-22(18)37)30(40)36-24-25(38)20-11-14-23(17(3)27(20)45-32(24)42)44-33-28(26(39)29(43-6)34(4,5)47-33)46-31(41)21-12-9-16(2)35-21/h9-15,26,28-29,33,35,37-39H,7-8H2,1-6H3,(H,36,40)/t26-,28+,29+,33+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	758	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330294 ((2R,3R,4R,5R)-2-(3-(4-amino-3-methylbenzamido)-4-h...) Show SMILES CO[C@@H]1[C@@H](O)[C@@H](OC(=O)c2ccc(C)[nH]2)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(N)c(C)c4)c(=O)oc3c2C)OC1(C)C |r| Show InChI InChI=1S/C32H35N3O10/c1-14-13-17(8-10-19(14)33)28(38)35-22-23(36)18-9-12-21(16(3)25(18)43-30(22)40)42-31-26(24(37)27(41-6)32(4,5)45-31)44-29(39)20-11-7-15(2)34-20/h7-13,24,26-27,31,34,36-37H,33H2,1-6H3,(H,35,38)/t24-,26+,27+,31+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	784	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330293 ((2S,3R,4R,5R)-2-(8-chloro-4-hydroxy-3-(4-hydroxy-3...) Show SMILES CO[C@@H]1[C@@H](O)[C@@H](OC(=O)c2ccc(C)[nH]2)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(OC)c4)c(=O)oc3c2Cl)OC1(C)C |r| Show InChI InChI=1S/C31H31ClN2O12/c1-13-6-9-16(33-13)28(39)45-25-23(37)26(42-5)31(2,3)46-30(25)43-18-11-8-15-22(36)21(29(40)44-24(15)20(18)32)34-27(38)14-7-10-17(35)19(12-14)41-4/h6-12,23,25-26,30,33,35-37H,1-5H3,(H,34,38)/t23-,25+,26+,30+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	891	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50330297 ((2S,3R,4R,5R)-2-(8-chloro-3-cinnamamido-4-hydroxy-...) Show SMILES CO[C@@H]1[C@@H](O)[C@@H](OC(=O)c2ccc(C)[nH]2)[C@H](Oc2ccc3c(O)c(NC(=O)\C=C\c4ccccc4)c(=O)oc3c2Cl)OC1(C)C |r| Show InChI InChI=1S/C32H31ClN2O10/c1-16-10-13-19(34-16)29(39)44-27-25(38)28(41-4)32(2,3)45-31(27)42-20-14-12-18-24(37)23(30(40)43-26(18)22(20)33)35-21(36)15-11-17-8-6-5-7-9-17/h5-15,25,27-28,31,34,37-38H,1-4H3,(H,35,36)/b15-11+/t25-,27+,28+,31+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 80 total )  |  Next  |  Last  >>

Jump to: