Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50012104   

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 A/B (Escherichia coli (strain K12))	BDBM50554205 (CHEMBL4757242) Show SMILES CCCCCN(C)Cc1cc(ccc1NC(=O)c1cc2cc(F)cc(NC)c2[nH]c1=O)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	0.210	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554208 (CHEMBL4784687) Show SMILES OC(=O)C(F)(F)F.CNc1cc(F)cc2cc(C(=O)Nc3ccc(cc3CNC3CCCCC3)C(O)=O)c(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554207 (CHEMBL4758336) Show SMILES Cl.CNc1cc(F)cc2cc(C(=O)Nc3ccc(cc3CN(CCO)C3CCCCC3)C(O)=O)c(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554204 (CHEMBL4743844) Show SMILES CNc1cc(F)cc2cc(C(=O)Nc3ccc(cc3CN3CCCCC3)C(O)=O)c(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554200 (CHEMBL4764566) Show SMILES CNc1cc(F)cc2cc(C(=O)Nc3ccc(cc3)C(O)=O)c(=O)[nH]c12 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	0.360	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554197 (CHEMBL4776319) Show SMILES CNc1cc(F)cc2cc(C(=O)Nc3ccc(cc3)C(=O)NS(=O)(=O)N(C)C)c(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554219 (CHEMBL4798551) Show SMILES OC=O.CNc1cc(F)cc2c(NCCCN)c(C(=O)Nc3ccc(cc3)C(O)=O)c(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554203 (CHEMBL4779288) Show SMILES Cl.CNc1cc(F)cc2cc(C(=O)Nc3ccc(cc3CN(C)C3CCCCC3)C(O)=O)c(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554210 (CHEMBL4757030) Show SMILES CNc1cc(F)cc2cc(C(=O)Nc3ccc(cc3CN(CC(O)=O)C3CCCCC3)C(O)=O)c(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554202 (CHEMBL4762067) Show SMILES CNc1cc(F)cc2cc(C(=O)Nc3ccc(cc3CN(C)C3CC3)C(O)=O)c(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554220 (CHEMBL4764515) Show SMILES OC=O.CNc1cc(F)cc2c(NCC3CNC3)c(C(=O)Nc3ccc(cc3)C(O)=O)c(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554206 (CHEMBL4798088) Show SMILES CCCCCN(CCCCC)Cc1cc(ccc1NC(=O)c1cc2cc(F)cc(NC)c2[nH]c1=O)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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554217 (CHEMBL4776836) Show SMILES OC=O.CNc1cc(F)cc2c(NCCN)c(C(=O)Nc3ccc(cc3)C(O)=O)c(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.940	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554199 (CHEMBL4763869) Show SMILES CNc1cc(F)cc2cc(C(=O)Nc3cnc(nc3)C(O)=O)c(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554225 (CHEMBL4744156) Show SMILES CNc1cc(F)cc2c(O)c(C(=O)Nc3ccc(cc3)C(O)=O)c(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554223 (CHEMBL4741723) Show SMILES OC=O.CNc1cc(F)cc2c(NCC3CCNCC3)c(C(=O)Nc3ccc(cc3)C(O)=O)c(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554214 (CHEMBL4755340) Show SMILES CNc1cc(F)cc2cc(C(=O)Nc3ccc(CO)cc3CN(CCO)C3CCCCC3)c(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554229 (CHEMBL4776589) Show SMILES CNc1cccc2cc(C(=O)Nc3ccc(cc3)C(O)=O)c(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554213 (CHEMBL4755858) Show SMILES CNc1cc(F)cc2cc(C(=O)Nc3ccc(CO)cc3CN(C)C3CCCCC3)c(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554198 (CHEMBL4740347) Show SMILES CNc1cc(F)cc2cc(C(=O)Nc3ccc(C(O)=O)c(O)c3)c(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554218 (CHEMBL4779138) Show SMILES OC=O.CNCCNc1c(C(=O)Nc2ccc(cc2)C(O)=O)c(=O)[nH]c2c(NC)cc(F)cc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554222 (CHEMBL4792659) Show SMILES OC=O.CNc1cc(F)cc2c(NCC3(N)CCC3)c(C(=O)Nc3ccc(cc3)C(O)=O)c(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554212 (CHEMBL4743542) Show SMILES CNc1cc(F)cc2cc(C(=O)Nc3ccc(cc3CN(C)C3CCCCC3)C(N)=O)c(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554226 (CHEMBL4740882) Show SMILES CNc1cc(F)cc2c(O)c(C(=O)Nc3ccc(cc3)C(=O)NS(=O)(=O)N(C)C)c(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554221 (CHEMBL4744595) Show SMILES OC=O.CNc1cc(F)cc2c(N[C@@H]3C[C@H](N)C3)c(C(=O)Nc3ccc(cc3)C(O)=O)c(=O)[nH]c12 |r,wU:13.11,15.14,(34.6,-13.1,;33.26,-13.88,;33.26,-15.42,;26.62,-4.17,;27.96,-4.94,;27.96,-6.48,;26.64,-7.25,;26.63,-8.79,;25.3,-9.56,;27.97,-9.56,;29.31,-8.8,;30.65,-9.56,;30.65,-11.1,;29.32,-11.88,;27.84,-11.48,;27.44,-12.96,;26.11,-13.74,;28.93,-13.36,;31.99,-8.79,;33.33,-9.55,;33.33,-11.09,;34.66,-8.78,;36,-9.54,;35.99,-11.09,;37.33,-11.85,;38.66,-11.08,;38.65,-9.53,;37.32,-8.77,;40,-11.84,;41.33,-11.07,;40,-13.38,;31.99,-7.23,;33.32,-6.46,;30.64,-6.45,;29.3,-7.24,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554211 (CHEMBL4755574) Show SMILES OC(=O)C(F)(F)F.CNc1cc(F)cc2cc(C(=O)Nc3ccc(cc3CN(CCN)C3CCCCC3)C(O)=O)c(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554228 (CHEMBL4746606) Show SMILES CNc1cc(F)cc2c(O)c(C(=O)Nc3ccc(cc3CN3CCCCC3)C(=O)NS(=O)(=O)N(C)C)c(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554201 (CHEMBL4742654) Show SMILES CNc1cc(F)cc2cc(C(=O)Nc3ccc(cc3)C(=O)N(C)CCN3CCOCC3)c(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554195 (CHEMBL4798676) Show SMILES CNc1cc(F)cc2cc(C(=O)Nc3ccc(cc3)C(=O)NCCN3CCOCC3)c(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554227 (CHEMBL4749549) Show SMILES OC(=O)C(F)(F)F.CNc1cc(F)cc2c(O)c(C(=O)Nc3ccc(cc3CN3CCCCC3)C(O)=O)c(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554196 (CHEMBL4798476) Show SMILES Cl.CNc1cc(F)cc2cc(C(=O)Nc3ccc(cc3)C(=O)NCCN)c(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554224 (CHEMBL4743075) Show SMILES OC=O.CNc1cc(F)cc2c(NCCN3CCOCC3)c(C(=O)Nc3ccc(cc3)C(O)=O)c(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	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	MMDB 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 by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554215 (CHEMBL4741604) Show SMILES OC(=O)C(F)(F)F.CNCCc1c(C(=O)Nc2ccc(cc2)C(O)=O)c(=O)[nH]c2c(NC)cc(F)cc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554209 (CHEMBL4748866) Show SMILES Cl.CNc1cc(F)cc2cc(C(=O)Nc3ccc(cc3CNCCO)C(O)=O)c(=O)[nH]c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50554216 (CHEMBL4783481) Show SMILES OC(=O)C(F)(F)F.CNCCCc1c(C(=O)Nc2ccc(cc2)C(O)=O)c(=O)[nH]c2c(NC)cc(F)cc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50554214 (CHEMBL4755340) Show SMILES CNc1cc(F)cc2cc(C(=O)Nc3ccc(CO)cc3CN(CCO)C3CCCCC3)c(=O)[nH]c12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG expressed in CHO cells by Q-patch clamp assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50554206 (CHEMBL4798088) Show SMILES CCCCCN(CCCCC)Cc1cc(ccc1NC(=O)c1cc2cc(F)cc(NC)c2[nH]c1=O)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG expressed in CHO cells by Q-patch clamp assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50554226 (CHEMBL4740882) Show SMILES CNc1cc(F)cc2c(O)c(C(=O)Nc3ccc(cc3)C(=O)NS(=O)(=O)N(C)C)c(=O)[nH]c12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human topoisomerase 2alpha				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50554226 (CHEMBL4740882) Show SMILES CNc1cc(F)cc2c(O)c(C(=O)Nc3ccc(cc3)C(=O)NS(=O)(=O)N(C)C)c(=O)[nH]c12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG expressed in CHO cells by Q-patch clamp assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50554207 (CHEMBL4758336) Show SMILES Cl.CNc1cc(F)cc2cc(C(=O)Nc3ccc(cc3CN(CCO)C3CCCCC3)C(O)=O)c(=O)[nH]c12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG expressed in CHO cells by Q-patch clamp assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50554225 (CHEMBL4744156) Show SMILES CNc1cc(F)cc2c(O)c(C(=O)Nc3ccc(cc3)C(O)=O)c(=O)[nH]c12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG expressed in CHO cells by Q-patch clamp assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50554225 (CHEMBL4744156) Show SMILES CNc1cc(F)cc2c(O)c(C(=O)Nc3ccc(cc3)C(O)=O)c(=O)[nH]c12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human topoisomerase 2alpha				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50554207 (CHEMBL4758336) Show SMILES Cl.CNc1cc(F)cc2cc(C(=O)Nc3ccc(cc3CN(CCO)C3CCCCC3)C(O)=O)c(=O)[nH]c12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human topoisomerase 2alpha				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50554206 (CHEMBL4798088) Show SMILES CCCCCN(CCCCC)Cc1cc(ccc1NC(=O)c1cc2cc(F)cc(NC)c2[nH]c1=O)C(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human topoisomerase 2alpha				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50554214 (CHEMBL4755340) Show SMILES CNc1cc(F)cc2cc(C(=O)Nc3ccc(CO)cc3CN(CCO)C3CCCCC3)c(=O)[nH]c12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human topoisomerase 2alpha				Citation and Details Article DOI: 10.1016/j.bmc.2020.115776 BindingDB Entry DOI: 10.7270/Q2W66QFJ
					More data for this Ligand-Target Pair