Compile Data Set for Download or QSAR

Found 316 hits with Last Name = 'tammela' and Initial = 'p'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50408204 (CHEMBL4165664) Show SMILES [H][C@]12CCN[C@@]1([H])CN(C2)c1nc(Oc2cnc(C)nc2)nc2[nH]c3c(NC)cc(F)cc3c12 |r| Show InChI InChI=1S/C22H23FN8O/c1-11-26-7-14(8-27-11)32-22-29-20-18(15-5-13(23)6-16(24-2)19(15)28-20)21(30-22)31-9-12-3-4-25-17(12)10-31/h5-8,12,17,24-25H,3-4,9-10H2,1-2H3,(H,28,29,30)/t12-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase B				Eur J Med Chem 154: 117-132 (2018) Article DOI: 10.1016/j.ejmech.2018.05.011 BindingDB Entry DOI: 10.7270/Q2CV4M9N
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50494811 (CHEMBL3094350) Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCC(C)(CC1)C(O)=O Show InChI InChI=1S/C26H27N7O3S/c1-3-27-24(36)32-25-31-20-13-16(12-18(21(20)37-25)19-6-4-5-9-28-19)17-14-29-23(30-15-17)33-10-7-26(2,8-11-33)22(34)35/h4-6,9,12-15H,3,7-8,10-11H2,1-2H3,(H,34,35)(H2,27,31,32,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 bromodomain 1 (unknown origin) incubated in dark for 30 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50547859 (CHEMBL4752708) Show SMILES Cc1[nH]c(C(=O)Nc2nc3ccc(NC(=O)C(O)=O)cc3s2)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 plasmid DNA as substrate incubated for 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00416 BindingDB Entry DOI: 10.7270/Q2JW8JGG
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50249798 (CHEMBL4795890) Show SMILES Cl.C[C@@H](NC(=O)c1ccc(NC(=O)c2[nH]c(C)c(Cl)c2Cl)c(OC2CCNCC2)c1)C(O)=O |r| Show InChI InChI=1S/C19H17N3O4S/c1-12-8-14-9-16(18(26-3)10-17(14)22(2)19(12)23)21-27(24,25)15-6-4-13(11-20)5-7-15/h4-10,21H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Evaluated for the percent binding affinity against H1 receptor by an H1 histamine-mediated bronchospasm				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50547862 (CHEMBL4792402) Show SMILES CC(=O)Nc1ccc2nc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)sc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 plasmid DNA as substrate incubated for 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00416 BindingDB Entry DOI: 10.7270/Q2JW8JGG
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50249796 (CHEMBL4752072) Show SMILES Cl.C[C@H](NC(=O)c1ccc(NC(=O)c2[nH]c(C)c(Cl)c2Cl)c(OC2CCNCC2)c1)C(O)=O |r| Show InChI InChI=1S/C21H21N3O4S/c1-4-15-11-16-12-17(7-8-18(16)24(5-2)21(15)25)23-29(26,27)20-9-6-14(13-22)10-19(20)28-3/h6-12,23H,4-5H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Evaluated for the percent binding affinity against H1 receptor by an H1 histamine-mediated bronchospasm				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50226181 ((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...) Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r| Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase using relaxed pBR322 DNA as substrate after 3 hrs by DNA super-coiling assay				J Med Chem 58: 5501-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00489 BindingDB Entry DOI: 10.7270/Q2MP551H
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50226181 ((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...) Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r| Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed as supercoiling of relaxed pBR322 plasmid after 45 mins by ethidium bromide staining based ag...				Eur J Med Chem 117: 197-211 (2016) Article DOI: 10.1016/j.ejmech.2016.03.079 BindingDB Entry DOI: 10.7270/Q27946KH
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568728 (CHEMBL4850565) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(OCc4cccc(c4)C(O)=O)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568735 (CHEMBL4870243) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(OCc4ccccc4)cc(cc3s2)C(=O)NCC#N)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568709 (CHEMBL4877458) Show SMILES Cc1[nH]c(C(=O)Nc2nc3ccc(cc3s2)-c2nnn[nH]2)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568717 (CHEMBL4874918) Show SMILES CCN(C(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc2ccc(cc2s1)C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568718 (CHEMBL4857022) Show SMILES Cc1[nH]c(C(=O)Nc2nc3ccc(cc3s2)C(=O)NCCC(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568720 (CHEMBL4862321) Show SMILES Cc1[nH]c(C(=O)Nc2nc3cc(O)c(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568722 (CHEMBL4847190) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(O)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568723 (CHEMBL4847090) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(F)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568724 (CHEMBL4850231) Show SMILES COc1cc(cc2sc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)nc12)C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568726 (CHEMBL4854181) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(OCc4ccccc4)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568727 (CHEMBL4867874) Show SMILES Cl.Cc1[nH]c(C(=O)Nc2nc3c(OCCN4CCOCC4)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568729 (CHEMBL4868482) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(OCc4ccc(cc4)C(O)=O)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568730 (CHEMBL4878712) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(OCc4cccs4)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568731 (CHEMBL4873249) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(OCc4ccsc4)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568732 (CHEMBL4871682) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(OCc4cccc(F)c4)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568733 (CHEMBL4858015) Show SMILES Cl.Cc1[nH]c(C(=O)Nc2nc3c(OCCN)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568734 (CHEMBL4876030) Show SMILES Cl.Cc1[nH]c(C(=O)Nc2nc3c(OCCN4CCOCC4)cc(cc3s2)C(=O)NCC#N)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568737 (CHEMBL4852505) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(OCc4ccccc4)cc(cc3s2)-c2nnn[nH]2)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50568728 (CHEMBL4850565) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(OCc4cccc(c4)C(O)=O)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50568729 (CHEMBL4868482) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(OCc4ccc(cc4)C(O)=O)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50568730 (CHEMBL4878712) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(OCc4cccs4)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50568731 (CHEMBL4873249) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(OCc4ccsc4)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50568732 (CHEMBL4871682) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(OCc4cccc(F)c4)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568713 (CHEMBL4851285) Show SMILES Cc1[nH]c(C(=O)Nc2nc3ccc(cc3s2)C(O)=O)c(Cl)c1Br Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568738 (CHEMBL4868407) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(OCc4ccccc4)cc(cc3s2)C(N)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568708 (CHEMBL4863169) Show SMILES Cc1[nH]c(C(=O)Nc2nc3ccc(cc3s2)C(N)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568714 (CHEMBL4857352) Show SMILES OC(=O)c1ccc2nc(NC(=O)c3cc(Br)c(Br)[nH]3)sc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Escherichia coli (strain K12))	BDBM50408191 (CHEMBL4163243) Show SMILES C[C@H](NC(=O)c1ccc(NC(=O)c2[nH]c(C)c(Cl)c2Cl)c(OCCN)c1)c1n[nH]c(=O)o1 |r| Show InChI InChI=1S/C19H20Cl2N6O5/c1-8-13(20)14(21)15(23-8)17(29)25-11-4-3-10(7-12(11)31-6-5-22)16(28)24-9(2)18-26-27-19(30)32-18/h3-4,7,9,23H,5-6,22H2,1-2H3,(H,24,28)(H,25,29)(H,27,30)/t9-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Escherichia coli C-terminal His6-tagged DNA gyrase B expressed in Escherichia coli BL21(DE3) preincubated for 10 mins followed by ATP a...				Eur J Med Chem 154: 117-132 (2018) Article DOI: 10.1016/j.ejmech.2018.05.011 BindingDB Entry DOI: 10.7270/Q2CV4M9N
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568725 (CHEMBL4873935) Show SMILES Cc1[nH]c(C(=O)Nc2nc3ccc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50568726 (CHEMBL4854181) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(OCc4ccccc4)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568707 (CHEMBL4866587) Show SMILES Cc1[nH]c(C(=O)Nc2nc3ccc(cc3s2)C(=O)NCC#N)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50249795 (CHEMBL4746419) Show SMILES Cl.Cc1[nH]c(C(=O)Nc2ccc(cc2OC2CCNCC2)C(=O)NCC(O)=O)c(Cl)c1Cl Show InChI InChI=1S/C19H17N3O4S/c1-21-16-11-18(26-3)17(10-14(16)6-9-19(21)23)22(2)27(24,25)15-7-4-13(12-20)5-8-15/h4-11H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	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
TBA					Assay Description Evaluated for the percent binding affinity against H1 receptor by an H1 histamine-mediated bronchospasm				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50568727 (CHEMBL4867874) Show SMILES Cl.Cc1[nH]c(C(=O)Nc2nc3c(OCCN4CCOCC4)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50568723 (CHEMBL4847090) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(F)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568715 (CHEMBL4850124) Show SMILES OC(=O)c1ccc2nc(NC(=O)c3cc(Cl)c(Cl)[nH]3)sc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50249820 (CHEMBL4779341) Show SMILES Cl.OC(=O)CNC(=O)c1ccc(NC(=O)c2cc(Br)c(Br)[nH]2)c(OC2CCNCC2)c1 Show InChI InChI=1S/C20H19N3O4S/c1-13(2)27-19-11-18-15(6-9-20(24)23(18)3)10-17(19)22-28(25,26)16-7-4-14(12-21)5-8-16/h4-11,13,22H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	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
TBA					Assay Description Evaluated for the percent binding affinity against H1 receptor by an H1 histamine-mediated bronchospasm				Citation and Details Article DOI: 10.1016/j.ejmech.2019.02.004 BindingDB Entry DOI: 10.7270/Q23J3HK1
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50568722 (CHEMBL4847190) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(O)cc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50568713 (CHEMBL4851285) Show SMILES Cc1[nH]c(C(=O)Nc2nc3ccc(cc3s2)C(O)=O)c(Cl)c1Br Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50568716 (CHEMBL4857324) Show SMILES Cc1[nH]c(C(=O)N(C2CC2)c2nc3ccc(cc3s2)C(O)=O)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50568709 (CHEMBL4877458) Show SMILES Cc1[nH]c(C(=O)Nc2nc3ccc(cc3s2)-c2nnn[nH]2)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50568737 (CHEMBL4852505) Show SMILES Cc1[nH]c(C(=O)Nc2nc3c(OCc4ccccc4)cc(cc3s2)-c2nnn[nH]2)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus DNA gyrase assessed reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113200 BindingDB Entry DOI: 10.7270/Q2Z60STN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50547863 (CHEMBL4747775) Show SMILES Cc1[nH]c(C(=O)Nc2nc3ccc(NC(N)=O)cc3s2)c(Cl)c1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 plasmid DNA as substrate incubated for 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00416 BindingDB Entry DOI: 10.7270/Q2JW8JGG
					More data for this Ligand-Target Pair

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