Compile Data Set for Download or QSAR

Found 140 hits with Last Name = 'draskovits' and Initial = 'g'   

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))	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))	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 (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 (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))	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))	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))	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 (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))	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))	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))	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))	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 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 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 (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)	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 (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 (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 B (Escherichia coli (strain K12))	BDBM50407015 (CHEMBL4161729) Show SMILES Cl.C[C@H](NC(=O)c1ccc(NC(=O)c2[nH]c(C)c(Cl)c2Cl)c(OCCN)c1)C(O)=O |r| Show InChI InChI=1S/C18H20Cl2N4O5.ClH/c1-8-13(19)14(20)15(22-8)17(26)24-11-4-3-10(7-12(11)29-6-5-21)16(25)23-9(2)18(27)28;/h3-4,7,9,22H,5-6,21H2,1-2H3,(H,23,25)(H,24,26)(H,27,28);1H/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	28	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))	BDBM50249800 (CHEMBL4763664) Show SMILES Cl.Cc1[nH]c(C(=O)Nc2ccc(cc2O[C@H]2CCNC2)C(=O)NCC(O)=O)c(Cl)c1Cl |r| Show InChI InChI=1S/C19H17N3O4S/c1-3-26-18-11-17-14(6-9-19(23)22(17)2)10-16(18)21-27(24,25)15-7-4-13(12-20)5-8-15/h4-11,21H,3H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	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)	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	32	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)	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	34	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 B (Escherichia coli (strain K12))	BDBM50408188 (CHEMBL4160665) Show SMILES Cl.COC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)c2[nH]c(C)c(Cl)c2Cl)c(OCCN)c1 |r| Show InChI InChI=1S/C19H22Cl2N4O5.ClH/c1-9-14(20)15(21)16(23-9)18(27)25-12-5-4-11(8-13(12)30-7-6-22)17(26)24-10(2)19(28)29-3;/h4-5,8,10,23H,6-7,22H2,1-3H3,(H,24,26)(H,25,27);1H/t10-;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	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
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

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