Compile Data Set for Download or QSAR

Found 121 hits of ic50 for UniProtKB: P9WG45   

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 B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50463770 (CHEMBL4238919) Show SMILES CNc1cc(F)cc2c1[nH]c1nc(CNC(=O)c3cocn3)nc(N3CCC(N)C3)c21 Show InChI InChI=1S/C20H21FN8O2/c1-23-13-5-10(21)4-12-16-18(28-17(12)13)26-15(6-24-20(30)14-8-31-9-25-14)27-19(16)29-3-2-11(22)7-29/h4-5,8-9,11,23H,2-3,6-7,22H2,1H3,(H,24,30)(H,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Redx Pharma Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase activity				Bioorg Med Chem Lett 28: 2998-3003 (2018) Article DOI: 10.1016/j.bmcl.2018.05.049 BindingDB Entry DOI: 10.7270/Q2G73HD3
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50463771 (CHEMBL4250651) Show SMILES CNc1cc(F)cc2c1[nH]c1nc(CNC(=O)c3cnco3)nc(N3CCC(N)C3)c21 Show InChI InChI=1S/C20H21FN8O2/c1-23-13-5-10(21)4-12-16-18(28-17(12)13)26-15(7-25-20(30)14-6-24-9-31-14)27-19(16)29-3-2-11(22)8-29/h4-6,9,11,23H,2-3,7-8,22H2,1H3,(H,25,30)(H,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Redx Pharma Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase activity				Bioorg Med Chem Lett 28: 2998-3003 (2018) Article DOI: 10.1016/j.bmcl.2018.05.049 BindingDB Entry DOI: 10.7270/Q2G73HD3
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50226181 ((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...) Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r| Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Redx Pharma Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase ATPase activity				Bioorg Med Chem Lett 28: 2998-3003 (2018) Article DOI: 10.1016/j.bmcl.2018.05.049 BindingDB Entry DOI: 10.7270/Q2G73HD3
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50463770 (CHEMBL4238919) Show SMILES CNc1cc(F)cc2c1[nH]c1nc(CNC(=O)c3cocn3)nc(N3CCC(N)C3)c21 Show InChI InChI=1S/C20H21FN8O2/c1-23-13-5-10(21)4-12-16-18(28-17(12)13)26-15(6-24-20(30)14-8-31-9-25-14)27-19(16)29-3-2-11(22)7-29/h4-5,8-9,11,23H,2-3,6-7,22H2,1H3,(H,24,30)(H,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Redx Pharma Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase ATPase activity				Bioorg Med Chem Lett 28: 2998-3003 (2018) Article DOI: 10.1016/j.bmcl.2018.05.049 BindingDB Entry DOI: 10.7270/Q2G73HD3
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50226181 ((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...) Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r| Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis				Bioorg Med Chem 24: 877-85 (2016) Article DOI: 10.1016/j.bmc.2016.01.011 BindingDB Entry DOI: 10.7270/Q2MP5682
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50463771 (CHEMBL4250651) Show SMILES CNc1cc(F)cc2c1[nH]c1nc(CNC(=O)c3cnco3)nc(N3CCC(N)C3)c21 Show InChI InChI=1S/C20H21FN8O2/c1-23-13-5-10(21)4-12-16-18(28-17(12)13)26-15(7-25-20(30)14-6-24-9-31-14)27-19(16)29-3-2-11(22)8-29/h4-6,9,11,23H,2-3,7-8,22H2,1H3,(H,25,30)(H,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Redx Pharma Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase ATPase activity				Bioorg Med Chem Lett 28: 2998-3003 (2018) Article DOI: 10.1016/j.bmcl.2018.05.049 BindingDB Entry DOI: 10.7270/Q2G73HD3
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50226181 ((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...) Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r| Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Redx Pharma Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase activity				Bioorg Med Chem Lett 28: 2998-3003 (2018) Article DOI: 10.1016/j.bmcl.2018.05.049 BindingDB Entry DOI: 10.7270/Q2G73HD3
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50500052 (CHEMBL3740531) Show SMILES COc1cnc2ccc(=O)n(CCN3CCN(CC3)C(=O)Nc3ccc(cc3)[N+]([O-])=O)c2c1 Show InChI InChI=1S/C22H24N6O5/c1-33-18-14-20-19(23-15-18)6-7-21(29)27(20)13-10-25-8-11-26(12-9-25)22(30)24-16-2-4-17(5-3-16)28(31)32/h2-7,14-15H,8-13H2,1H3,(H,24,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of supercoiling activity using relaxed pBR322 plasmid as substrate after 3...				Bioorg Med Chem 24: 42-52 (2016) Article DOI: 10.1016/j.bmc.2015.11.039 BindingDB Entry DOI: 10.7270/Q25T3PG4
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50500046 (CHEMBL3742062) Show SMILES COc1cnc2ccc(=O)n(CCN3CCN(CC3)C(=O)Nc3ccc(Cl)cc3)c2c1 Show InChI InChI=1S/C22H24ClN5O3/c1-31-18-14-20-19(24-15-18)6-7-21(29)28(20)13-10-26-8-11-27(12-9-26)22(30)25-17-4-2-16(23)3-5-17/h2-7,14-15H,8-13H2,1H3,(H,25,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of supercoiling activity using relaxed pBR322 plasmid as substrate after 3...				Bioorg Med Chem 24: 42-52 (2016) Article DOI: 10.1016/j.bmc.2015.11.039 BindingDB Entry DOI: 10.7270/Q25T3PG4
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50500050 (CHEMBL3741396) Show SMILES COc1cnc2ccc(=O)n(CCN3CCN(CC3)C(=S)Nc3ccc(Br)cc3)c2c1 Show InChI InChI=1S/C22H24BrN5O2S/c1-30-18-14-20-19(24-15-18)6-7-21(29)28(20)13-10-26-8-11-27(12-9-26)22(31)25-17-4-2-16(23)3-5-17/h2-7,14-15H,8-13H2,1H3,(H,25,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of supercoiling activity using relaxed pBR322 plasmid as substrate after 3...				Bioorg Med Chem 24: 42-52 (2016) Article DOI: 10.1016/j.bmc.2015.11.039 BindingDB Entry DOI: 10.7270/Q25T3PG4
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50606698 (CHEMBL5220158) Show SMILES COc1ccc2cc(-n3cc(COc4nc(sc4C(N)=O)-c4ccccn4)nn3)c(=O)oc2c1 Show InChI	PDB UniProtKB/SwissProt 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
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114454 BindingDB Entry DOI: 10.7270/Q2377DTB
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50608669 (CHEMBL3884935) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50500045 (CHEMBL3741294) Show SMILES COc1cnc2ccc(=O)n(CCN3CCN(CC3)C(=O)Nc3ccc(Br)cc3)c2c1 Show InChI InChI=1S/C22H24BrN5O3/c1-31-18-14-20-19(24-15-18)6-7-21(29)28(20)13-10-26-8-11-27(12-9-26)22(30)25-17-4-2-16(23)3-5-17/h2-7,14-15H,8-13H2,1H3,(H,25,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of supercoiling activity using relaxed pBR322 plasmid as substrate after 3...				Bioorg Med Chem 24: 42-52 (2016) Article DOI: 10.1016/j.bmc.2015.11.039 BindingDB Entry DOI: 10.7270/Q25T3PG4
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50608671 (CHEMBL3883383) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50500038 (CHEMBL3740159) Show SMILES COc1cnc2ccc(=O)n(CCN3CCN(Cc4ccc(Cl)cc4)CC3)c2c1 Show InChI InChI=1S/C22H25ClN4O2/c1-29-19-14-21-20(24-15-19)6-7-22(28)27(21)13-12-25-8-10-26(11-9-25)16-17-2-4-18(23)5-3-17/h2-7,14-15H,8-13,16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of supercoiling activity using relaxed pBR322 plasmid as substrate after 3...				Bioorg Med Chem 24: 42-52 (2016) Article DOI: 10.1016/j.bmc.2015.11.039 BindingDB Entry DOI: 10.7270/Q25T3PG4
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50608670 (CHEMBL3883797) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50500054 (CHEMBL3742364) Show SMILES COc1cnc2ccc(=O)n(CCN3CCN(Cc4ccc(F)cc4)CC3)c2c1 Show InChI InChI=1S/C22H25FN4O2/c1-29-19-14-21-20(24-15-19)6-7-22(28)27(21)13-12-25-8-10-26(11-9-25)16-17-2-4-18(23)5-3-17/h2-7,14-15H,8-13,16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of supercoiling activity using relaxed pBR322 plasmid as substrate after 3...				Bioorg Med Chem 24: 42-52 (2016) Article DOI: 10.1016/j.bmc.2015.11.039 BindingDB Entry DOI: 10.7270/Q25T3PG4
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50500041 (CHEMBL3740954) Show SMILES COc1cnc2ccc(=O)n(CCN3CCN(CC3)C(=O)NCc3ccc(Cl)cc3)c2c1 Show InChI InChI=1S/C23H26ClN5O3/c1-32-19-14-21-20(25-16-19)6-7-22(30)29(21)13-10-27-8-11-28(12-9-27)23(31)26-15-17-2-4-18(24)5-3-17/h2-7,14,16H,8-13,15H2,1H3,(H,26,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of supercoiling activity using relaxed pBR322 plasmid as substrate after 3...				Bioorg Med Chem 24: 42-52 (2016) Article DOI: 10.1016/j.bmc.2015.11.039 BindingDB Entry DOI: 10.7270/Q25T3PG4
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50500049 (CHEMBL3741497) Show SMILES COc1cnc2ccc(=O)n(CCN3CCN(Cc4ccccc4)CC3)c2c1 Show InChI InChI=1S/C22H26N4O2/c1-28-19-15-21-20(23-16-19)7-8-22(27)26(21)14-13-24-9-11-25(12-10-24)17-18-5-3-2-4-6-18/h2-8,15-16H,9-14,17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of supercoiling activity using relaxed pBR322 plasmid as substrate after 3...				Bioorg Med Chem 24: 42-52 (2016) Article DOI: 10.1016/j.bmc.2015.11.039 BindingDB Entry DOI: 10.7270/Q25T3PG4
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50500039 (CHEMBL3740857) Show SMILES COc1cnc2ccc(=O)n(CCN3CCN(CC3)C(=S)NCc3ccc(Cl)cc3)c2c1 Show InChI InChI=1S/C23H26ClN5O2S/c1-31-19-14-21-20(25-16-19)6-7-22(30)29(21)13-10-27-8-11-28(12-9-27)23(32)26-15-17-2-4-18(24)5-3-17/h2-7,14,16H,8-13,15H2,1H3,(H,26,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of supercoiling activity using relaxed pBR322 plasmid as substrate after 3...				Bioorg Med Chem 24: 42-52 (2016) Article DOI: 10.1016/j.bmc.2015.11.039 BindingDB Entry DOI: 10.7270/Q25T3PG4
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50500048 (CHEMBL3739454) Show SMILES COc1cnc2ccc(=O)n(CCN3CCN(Cc4ccc(cc4)[N+]([O-])=O)CC3)c2c1 Show InChI InChI=1S/C22H25N5O4/c1-31-19-14-21-20(23-15-19)6-7-22(28)26(21)13-12-24-8-10-25(11-9-24)16-17-2-4-18(5-3-17)27(29)30/h2-7,14-15H,8-13,16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of supercoiling activity using relaxed pBR322 plasmid as substrate after 3...				Bioorg Med Chem 24: 42-52 (2016) Article DOI: 10.1016/j.bmc.2015.11.039 BindingDB Entry DOI: 10.7270/Q25T3PG4
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50500037 (CHEMBL3741477) Show SMILES COc1ccc(CN2CCN(CCn3c4cc(OC)cnc4ccc3=O)CC2)cc1 Show InChI InChI=1S/C23H28N4O3/c1-29-19-5-3-18(4-6-19)17-26-11-9-25(10-12-26)13-14-27-22-15-20(30-2)16-24-21(22)7-8-23(27)28/h3-8,15-16H,9-14,17H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of supercoiling activity using relaxed pBR322 plasmid as substrate after 3...				Bioorg Med Chem 24: 42-52 (2016) Article DOI: 10.1016/j.bmc.2015.11.039 BindingDB Entry DOI: 10.7270/Q25T3PG4
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50605628 (CHEMBL5189511) Show SMILES [H][C@]12[C@H](C)O[C@H](C)CN1c1c(CC22C(=O)NC(=O)NC2=O)cc2c(noc2c1F)-c1nnc(C)o1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00266 BindingDB Entry DOI: 10.7270/Q2C251HR
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50605623 (CHEMBL5203837) Show SMILES [H][C@]12[C@H](C)O[C@H](C)CN1c1c(CC22C(=O)NC(=O)NC2=O)cc2c(OC[C@@H]3CCC(=O)N3)noc2c1F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00266 BindingDB Entry DOI: 10.7270/Q2C251HR
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50500055 (CHEMBL3740743) Show SMILES COc1cnc2ccc(=O)n(CCN3CCN(CC3)C(=O)Nc3ccc(C)cc3)c2c1 Show InChI InChI=1S/C23H27N5O3/c1-17-3-5-18(6-4-17)25-23(30)27-12-9-26(10-13-27)11-14-28-21-15-19(31-2)16-24-20(21)7-8-22(28)29/h3-8,15-16H,9-14H2,1-2H3,(H,25,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of supercoiling activity using relaxed pBR322 plasmid as substrate after 3...				Bioorg Med Chem 24: 42-52 (2016) Article DOI: 10.1016/j.bmc.2015.11.039 BindingDB Entry DOI: 10.7270/Q25T3PG4
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50366824 (Avelox | MOXIFLOXACIN | Moxifl-oxacin) Show SMILES COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1 |r| Show InChI InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Diderot Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase GyrA/GyrB assessed as reduction of enzyme supercoiling activity using relaxed pBR322 DNA substrat...				Bioorg Med Chem 21: 948-56 (2013) Article DOI: 10.1016/j.bmc.2012.12.011 BindingDB Entry DOI: 10.7270/Q2FF3W92
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50500632 (CHEMBL3752152) Show SMILES Cc1ccc2nc3ccccc3c(Nc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)c2c1 Show InChI InChI=1S/C26H20ClN3O2S/c1-17-6-15-25-23(16-17)26(22-4-2-3-5-24(22)29-25)28-19-9-11-20(12-10-19)30-33(31,32)21-13-7-18(27)8-14-21/h2-16,30H,1H3,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis				Bioorg Med Chem 24: 877-85 (2016) Article DOI: 10.1016/j.bmc.2016.01.011 BindingDB Entry DOI: 10.7270/Q2MP5682
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50500643 (CHEMBL3752188) Show SMILES Cc1ccc2nc3ccccc3c(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)c2c1 Show InChI InChI=1S/C26H21N3O2S/c1-18-11-16-25-23(17-18)26(22-9-5-6-10-24(22)28-25)27-19-12-14-20(15-13-19)29-32(30,31)21-7-3-2-4-8-21/h2-17,29H,1H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis				Bioorg Med Chem 24: 877-85 (2016) Article DOI: 10.1016/j.bmc.2016.01.011 BindingDB Entry DOI: 10.7270/Q2MP5682
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50516946 (CHEMBL4549350) Show SMILES [H][C@@]12CN(C[C@]1([H])N(CCC2)C(=O)Cn1cc(CN2C(=O)C(=O)c3ccccc23)nn1)c1c(F)cc2c(c1OC)n(cc(C(O)=O)c2=O)C1CC1 |r| Show InChI InChI=1S/C34H32FN7O7/c1-49-32-28-22(30(44)23(34(47)48)15-41(28)20-8-9-20)11-24(35)29(32)38-12-18-5-4-10-40(26(18)16-38)27(43)17-39-13-19(36-37-39)14-42-25-7-3-2-6-21(25)31(45)33(42)46/h2-3,6-7,11,13,15,18,20,26H,4-5,8-10,12,14,16-17H2,1H3,(H,47,48)/t18-,26+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical School of Nanjing University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase				Eur J Med Chem 180: 648-655 (2019) Article DOI: 10.1016/j.ejmech.2019.07.057 BindingDB Entry DOI: 10.7270/Q2639T36
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50366824 (Avelox | MOXIFLOXACIN | Moxifl-oxacin) Show SMILES COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1 |r| Show InChI InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Pierre et Marie Curie-Paris 6 Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase GyrA/GyrB				Antimicrob Agents Chemother 52: 2909-14 (2008) Article DOI: 10.1128/AAC.01380-07 BindingDB Entry DOI: 10.7270/Q2862K8J
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50500641 (CHEMBL3754465) Show SMILES Cc1ccc2nc3ccccc3c(Nc3ccc(NC(=S)Nc4ccccc4)cc3)c2c1 Show InChI InChI=1S/C27H22N4S/c1-18-11-16-25-23(17-18)26(22-9-5-6-10-24(22)31-25)28-20-12-14-21(15-13-20)30-27(32)29-19-7-3-2-4-8-19/h2-17H,1H3,(H,28,31)(H2,29,30,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis				Bioorg Med Chem 24: 877-85 (2016) Article DOI: 10.1016/j.bmc.2016.01.011 BindingDB Entry DOI: 10.7270/Q2MP5682
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50500053 (CHEMBL3741142) Show SMILES COc1cnc2ccc(=O)n(CCN3CCN(Cc4ccc(Br)cc4)CC3)c2c1 Show InChI InChI=1S/C22H25BrN4O2/c1-29-19-14-21-20(24-15-19)6-7-22(28)27(21)13-12-25-8-10-26(11-9-25)16-17-2-4-18(23)5-3-17/h2-7,14-15H,8-13,16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of supercoiling activity using relaxed pBR322 plasmid as substrate after 3...				Bioorg Med Chem 24: 42-52 (2016) Article DOI: 10.1016/j.bmc.2015.11.039 BindingDB Entry DOI: 10.7270/Q25T3PG4
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50516947 (CHEMBL4441945) Show SMILES [H][C@@]12CN(C[C@]1([H])N(CCC2)C(=O)Cn1cc(CN2C(=O)\C(=N\NC(N)=S)c3ccccc23)nn1)c1c(F)cc2c(c1OC)n(cc(C(O)=O)c2=O)C1CC1 |r| Show InChI InChI=1S/C35H35FN10O6S/c1-52-32-29-22(31(48)23(34(50)51)15-45(29)20-8-9-20)11-24(36)30(32)42-12-18-5-4-10-44(26(18)16-42)27(47)17-43-13-19(38-41-43)14-46-25-7-3-2-6-21(25)28(33(46)49)39-40-35(37)53/h2-3,6-7,11,13,15,18,20,26H,4-5,8-10,12,14,16-17H2,1H3,(H,50,51)(H3,37,40,53)/b39-28+/t18-,26+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical School of Nanjing University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase				Eur J Med Chem 180: 648-655 (2019) Article DOI: 10.1016/j.ejmech.2019.07.057 BindingDB Entry DOI: 10.7270/Q2639T36
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50500639 (CHEMBL3754191) Show SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(Nc3c4ccccc4nc4ccc(Cl)cc34)cc2)cc1 Show InChI InChI=1S/C26H18ClN5O3/c27-16-5-14-24-22(15-16)25(21-3-1-2-4-23(21)31-24)28-17-6-8-18(9-7-17)29-26(33)30-19-10-12-20(13-11-19)32(34)35/h1-15H,(H,28,31)(H2,29,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis				Bioorg Med Chem 24: 877-85 (2016) Article DOI: 10.1016/j.bmc.2016.01.011 BindingDB Entry DOI: 10.7270/Q2MP5682
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50500627 (CHEMBL3752277) Show SMILES Cc1ccc2nc3ccccc3c(Nc3ccc(NC(=O)Nc4ccc(cc4)[N+]([O-])=O)cc3)c2c1 Show InChI InChI=1S/C27H21N5O3/c1-17-6-15-25-23(16-17)26(22-4-2-3-5-24(22)31-25)28-18-7-9-19(10-8-18)29-27(33)30-20-11-13-21(14-12-20)32(34)35/h2-16H,1H3,(H,28,31)(H2,29,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis				Bioorg Med Chem 24: 877-85 (2016) Article DOI: 10.1016/j.bmc.2016.01.011 BindingDB Entry DOI: 10.7270/Q2MP5682
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50117914 (1-Cyclopropyl-1,4-dihydro-6-fluoro-8-methoxy-7-(3-...) Show SMILES COc1c(N2CCNC(C)C2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1 Show InChI InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	7.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Diderot Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase GyrA/GyrB assessed as reduction of enzyme supercoiling activity using relaxed pBR322 DNA substrat...				Bioorg Med Chem 21: 948-56 (2013) Article DOI: 10.1016/j.bmc.2012.12.011 BindingDB Entry DOI: 10.7270/Q2FF3W92
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50500619 (CHEMBL3752450) Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C25H17ClN4O4S/c26-16-5-14-24-22(15-16)25(21-3-1-2-4-23(21)28-24)27-17-6-8-18(9-7-17)29-35(33,34)20-12-10-19(11-13-20)30(31)32/h1-15,29H,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis				Bioorg Med Chem 24: 877-85 (2016) Article DOI: 10.1016/j.bmc.2016.01.011 BindingDB Entry DOI: 10.7270/Q2MP5682
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50500637 (CHEMBL3754757) Show SMILES S=C(Nc1ccccc1)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 Show InChI InChI=1S/C26H20N4S/c31-26(28-18-8-2-1-3-9-18)29-20-16-14-19(15-17-20)27-25-21-10-4-6-12-23(21)30-24-13-7-5-11-22(24)25/h1-17H,(H,27,30)(H2,28,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis				Bioorg Med Chem 24: 877-85 (2016) Article DOI: 10.1016/j.bmc.2016.01.011 BindingDB Entry DOI: 10.7270/Q2MP5682
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50500634 (CHEMBL3754554) Show SMILES Cc1ccc2nc3ccccc3c(Nc3ccc(NS(=O)(=O)c4ccc(cc4)[N+]([O-])=O)cc3)c2c1 Show InChI InChI=1S/C26H20N4O4S/c1-17-6-15-25-23(16-17)26(22-4-2-3-5-24(22)28-25)27-18-7-9-19(10-8-18)29-35(33,34)21-13-11-20(12-14-21)30(31)32/h2-16,29H,1H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis				Bioorg Med Chem 24: 877-85 (2016) Article DOI: 10.1016/j.bmc.2016.01.011 BindingDB Entry DOI: 10.7270/Q2MP5682
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50500631 (CHEMBL3752620) Show SMILES Clc1ccc(NC(=S)Nc2ccc(Nc3c4ccccc4nc4ccccc34)cc2)cc1 Show InChI InChI=1S/C26H19ClN4S/c27-17-9-11-19(12-10-17)29-26(32)30-20-15-13-18(14-16-20)28-25-21-5-1-3-7-23(21)31-24-8-4-2-6-22(24)25/h1-16H,(H,28,31)(H2,29,30,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis				Bioorg Med Chem 24: 877-85 (2016) Article DOI: 10.1016/j.bmc.2016.01.011 BindingDB Entry DOI: 10.7270/Q2MP5682
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50516944 (CHEMBL4438262) Show SMILES [H][C@@]12CN(C[C@]1([H])N(CCC2)C(=O)Cn1cc(CN2C(=O)\C(=N\OC)c3ccccc23)nn1)c1c(F)cc2c(c1OC)n(cc(C(O)=O)c2=O)C1CC1 |r| Show InChI InChI=1S/C35H35FN8O7/c1-50-33-30-23(32(46)24(35(48)49)16-43(30)21-9-10-21)12-25(36)31(33)40-13-19-6-5-11-42(27(19)17-40)28(45)18-41-14-20(37-39-41)15-44-26-8-4-3-7-22(26)29(34(44)47)38-51-2/h3-4,7-8,12,14,16,19,21,27H,5-6,9-11,13,15,17-18H2,1-2H3,(H,48,49)/b38-29+/t19-,27+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical School of Nanjing University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase				Eur J Med Chem 180: 648-655 (2019) Article DOI: 10.1016/j.ejmech.2019.07.057 BindingDB Entry DOI: 10.7270/Q2639T36
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50500618 (CHEMBL3752724) Show SMILES Clc1ccc2nc3ccccc3c(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)c2c1 Show InChI InChI=1S/C25H18ClN3O2S/c26-17-10-15-24-22(16-17)25(21-8-4-5-9-23(21)28-24)27-18-11-13-19(14-12-18)29-32(30,31)20-6-2-1-3-7-20/h1-16,29H,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis				Bioorg Med Chem 24: 877-85 (2016) Article DOI: 10.1016/j.bmc.2016.01.011 BindingDB Entry DOI: 10.7270/Q2MP5682
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50500635 (CHEMBL3752318) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 Show InChI InChI=1S/C26H21N3O2S/c1-18-10-16-21(17-11-18)32(30,31)29-20-14-12-19(13-15-20)27-26-22-6-2-4-8-24(22)28-25-9-5-3-7-23(25)26/h2-17,29H,1H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis				Bioorg Med Chem 24: 877-85 (2016) Article DOI: 10.1016/j.bmc.2016.01.011 BindingDB Entry DOI: 10.7270/Q2MP5682
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50500615 (CHEMBL3753841) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccc(C)cc23)cc1 Show InChI InChI=1S/C27H23N3O2S/c1-18-7-14-22(15-8-18)33(31,32)30-21-12-10-20(11-13-21)28-27-23-5-3-4-6-25(23)29-26-16-9-19(2)17-24(26)27/h3-17,30H,1-2H3,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis				Bioorg Med Chem 24: 877-85 (2016) Article DOI: 10.1016/j.bmc.2016.01.011 BindingDB Entry DOI: 10.7270/Q2MP5682
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50366824 (Avelox | MOXIFLOXACIN | Moxifl-oxacin) Show SMILES COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1 |r| Show InChI InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00266 BindingDB Entry DOI: 10.7270/Q2C251HR
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50605627 (CHEMBL5186061) Show SMILES [H][C@]12[C@H](C)O[C@H](C)CN1c1c(CC22C(=O)NC(=O)NC2=O)cc2c(noc2c1F)N1CC[C@@H](C1)C#N |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00266 BindingDB Entry DOI: 10.7270/Q2C251HR
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50500648 (CHEMBL3753342) Show SMILES Clc1ccc(NC(=O)Nc2ccc(Nc3c4ccccc4nc4ccccc34)cc2)cc1 Show InChI InChI=1S/C26H19ClN4O/c27-17-9-11-19(12-10-17)29-26(32)30-20-15-13-18(14-16-20)28-25-21-5-1-3-7-23(21)31-24-8-4-2-6-22(24)25/h1-16H,(H,28,31)(H2,29,30,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis				Bioorg Med Chem 24: 877-85 (2016) Article DOI: 10.1016/j.bmc.2016.01.011 BindingDB Entry DOI: 10.7270/Q2MP5682
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50516945 (CHEMBL4446054) Show SMILES [H][C@@]12CN(C[C@]1([H])N(CCC2)C(=O)Cn1cc(CN2C(=O)\C(=N\NC(N)=S)c3cc(F)ccc23)nn1)c1c(F)cc2c(c1OC)n(cc(C(O)=O)c2=O)C1CC1 |r| Show InChI InChI=1S/C35H34F2N10O6S/c1-53-32-29-22(31(49)23(34(51)52)14-46(29)20-5-6-20)10-24(37)30(32)43-11-17-3-2-8-45(26(17)15-43)27(48)16-44-12-19(39-42-44)13-47-25-7-4-18(36)9-21(25)28(33(47)50)40-41-35(38)54/h4,7,9-10,12,14,17,20,26H,2-3,5-6,8,11,13,15-16H2,1H3,(H,51,52)(H3,38,41,54)/b40-28+/t17-,26+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medical School of Nanjing University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase				Eur J Med Chem 180: 648-655 (2019) Article DOI: 10.1016/j.ejmech.2019.07.057 BindingDB Entry DOI: 10.7270/Q2639T36
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM21690 (1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...) Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Sassari Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as reduction in supercoiling of relaxed pBR322 DNA substrate after 30 mins by ethidium b...				Eur J Med Chem 161: 399-415 (2019) Article DOI: 10.1016/j.ejmech.2018.10.031 BindingDB Entry DOI: 10.7270/Q28D00KV
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit B (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50366824 (Avelox | MOXIFLOXACIN | Moxifl-oxacin) Show SMILES COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1 |r| Show InChI InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of supercoiling activity using relaxed pBR322 plasmid as substrate after 3...				Bioorg Med Chem 24: 42-52 (2016) Article DOI: 10.1016/j.bmc.2015.11.039 BindingDB Entry DOI: 10.7270/Q25T3PG4
					More data for this Ligand-Target Pair				3D Structure (crystal)

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