Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50012985   

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 topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50561963 (CHEMBL4787821) Show SMILES COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NC(=O)c3ccc4OCC(=O)Nc4n3)c2c1 |r,wU:12.11,wD:15.18,(61.61,-32.73,;61.62,-34.26,;62.95,-35.03,;62.95,-36.57,;64.28,-37.34,;65.61,-36.57,;66.95,-37.35,;68.28,-36.57,;68.28,-35.02,;66.94,-34.26,;66.94,-32.72,;68.27,-31.94,;69.61,-32.71,;70.93,-31.92,;72.27,-32.7,;72.27,-34.24,;70.94,-35.01,;69.6,-34.25,;73.6,-35.01,;74.94,-34.24,;74.94,-32.7,;76.27,-35,;76.27,-36.54,;77.6,-37.31,;78.93,-36.54,;80.27,-37.3,;81.61,-36.53,;81.6,-34.98,;82.93,-34.21,;80.26,-34.2,;78.93,-34.99,;77.59,-34.23,;65.61,-35.03,;64.28,-34.26,)| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus topoisomerase-4 assessed as reduction in decatenation of kinetoplast DNA agarose gel electrophoresis method				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00428 BindingDB Entry DOI: 10.7270/Q2Z89H4G
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50561965 (CHEMBL4787145) Show SMILES COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NC(=O)c3ccc4SCC(=O)Nc4n3)c2c1 |r,wU:12.11,wD:15.18,(32.16,-49.84,;32.16,-51.37,;33.5,-52.14,;33.5,-53.68,;34.82,-54.45,;36.15,-53.68,;37.49,-54.46,;38.83,-53.68,;38.82,-52.13,;37.49,-51.37,;37.48,-49.83,;38.81,-49.05,;40.15,-49.82,;41.47,-49.03,;42.81,-49.81,;42.82,-51.35,;41.48,-52.12,;40.15,-51.35,;44.15,-52.12,;45.48,-51.35,;45.48,-49.81,;46.82,-52.11,;46.81,-53.65,;48.15,-54.42,;49.48,-53.65,;50.81,-54.41,;52.15,-53.63,;52.15,-52.09,;53.47,-51.32,;50.8,-51.31,;49.47,-52.1,;48.14,-51.34,;36.16,-52.14,;34.83,-51.37,)| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus topoisomerase-4 assessed as reduction in decatenation of kinetoplast DNA agarose gel electrophoresis method				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00428 BindingDB Entry DOI: 10.7270/Q2Z89H4G
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50561966 (CHEMBL4759626) Show SMILES COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NC(=O)c3ccc4SCC(=O)Nc4c3)c2c1 |r,wU:12.11,wD:15.18,(61.72,-49.58,;61.72,-51.11,;63.06,-51.88,;63.06,-53.43,;64.38,-54.2,;65.71,-53.42,;67.05,-54.2,;68.39,-53.42,;68.38,-51.87,;67.05,-51.11,;67.04,-49.57,;68.37,-48.79,;69.71,-49.56,;71.03,-48.77,;72.37,-49.55,;72.38,-51.09,;71.04,-51.86,;69.71,-51.1,;73.71,-51.86,;75.04,-51.09,;75.04,-49.55,;76.38,-51.86,;76.37,-53.4,;77.71,-54.16,;79.04,-53.39,;80.37,-54.15,;81.71,-53.38,;81.71,-51.83,;83.03,-51.06,;80.36,-51.06,;79.03,-51.84,;77.7,-51.08,;65.72,-51.88,;64.39,-51.11,)| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus topoisomerase-4 assessed as reduction in decatenation of kinetoplast DNA agarose gel electrophoresis method				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00428 BindingDB Entry DOI: 10.7270/Q2Z89H4G
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50561964 (CHEMBL4755744) Show SMILES COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NC(=O)c3ccc4OCC(=O)Nc4c3)c2c1 |r,wU:12.11,wD:15.18,(4.07,-48.98,;4.08,-50.52,;5.41,-51.28,;5.42,-52.83,;6.74,-53.6,;8.07,-52.83,;9.41,-53.6,;10.75,-52.83,;10.74,-51.28,;9.41,-50.52,;9.4,-48.98,;10.73,-48.19,;12.07,-48.96,;13.39,-48.18,;14.73,-48.95,;14.74,-50.5,;13.4,-51.26,;12.07,-50.5,;16.06,-51.26,;17.4,-50.5,;17.4,-48.96,;18.74,-51.26,;18.73,-52.8,;20.07,-53.57,;21.4,-52.79,;22.73,-53.56,;24.07,-52.78,;24.07,-51.24,;25.39,-50.46,;22.72,-50.46,;21.39,-51.25,;20.06,-50.49,;8.08,-51.29,;6.74,-50.52,)| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus topoisomerase-4 assessed as reduction in decatenation of kinetoplast DNA agarose gel electrophoresis method				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00428 BindingDB Entry DOI: 10.7270/Q2Z89H4G
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM21690 (1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...) Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus topoisomerase-4 assessed as reduction in decatenation of kinetoplast DNA agarose gel electrophoresis method				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00428 BindingDB Entry DOI: 10.7270/Q2Z89H4G
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50561956 (CHEMBL4764420) Show SMILES COc1ccc(cc1)C(=O)N[C@H]1CO[C@H](CCc2ccnc3ccc(OC)cc23)OC1 |r,wU:14.15,wD:11.11,(22.79,-21.93,;21.47,-22.71,;20.14,-21.95,;18.8,-22.72,;17.47,-21.95,;17.47,-20.41,;18.79,-19.64,;20.13,-20.4,;16.14,-19.65,;16.14,-18.11,;14.8,-20.42,;13.47,-19.65,;13.47,-18.11,;12.13,-17.33,;10.81,-18.12,;9.47,-17.35,;8.14,-18.13,;8.14,-19.67,;9.48,-20.43,;9.49,-21.98,;8.15,-22.76,;6.81,-21.98,;5.48,-22.75,;4.16,-21.98,;4.15,-20.44,;2.82,-19.67,;2.81,-18.14,;5.48,-19.67,;6.81,-20.44,;10.81,-19.66,;12.14,-20.42,)| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.06E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus topoisomerase-4 assessed as reduction in decatenation of kinetoplast DNA agarose gel electrophoresis method				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00428 BindingDB Entry DOI: 10.7270/Q2Z89H4G
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50561961 (CHEMBL4755530) Show SMILES COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NC(=O)c3ccc(cc3)C(C)(C)C)c2c1 |r,wU:12.11,wD:15.18,(60.63,-32.46,;60.64,-34,;61.97,-34.76,;61.98,-36.31,;63.3,-37.08,;64.63,-36.31,;65.97,-37.09,;67.31,-36.31,;67.3,-34.76,;65.97,-34,;65.96,-32.45,;67.29,-31.67,;68.63,-32.44,;69.96,-31.66,;71.3,-32.43,;71.3,-33.98,;69.96,-34.74,;68.63,-33.98,;72.63,-34.74,;73.96,-33.98,;73.96,-32.43,;75.3,-34.74,;75.3,-36.28,;76.63,-37.05,;77.97,-36.27,;77.96,-34.73,;76.62,-33.97,;79.3,-37.04,;79.31,-38.57,;80.63,-36.26,;80.62,-37.8,;64.64,-34.77,;63.3,-34,)| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus topoisomerase-4 assessed as reduction in decatenation of kinetoplast DNA agarose gel electrophoresis method				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00428 BindingDB Entry DOI: 10.7270/Q2Z89H4G
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50561955 (CHEMBL4756100) Show SMILES COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NC(=O)c3ccc(Cl)c(Cl)c3)c2c1 |r,wU:12.11,wD:15.18,(59.42,-2.46,;59.43,-4,;60.76,-4.76,;60.77,-6.31,;62.09,-7.08,;63.42,-6.31,;64.76,-7.08,;66.1,-6.31,;66.09,-4.76,;64.75,-4,;64.75,-2.45,;66.08,-1.67,;67.42,-2.44,;68.74,-1.66,;70.08,-2.43,;70.09,-3.98,;68.75,-4.74,;67.42,-3.98,;71.41,-4.74,;72.75,-3.98,;72.75,-2.43,;74.09,-4.74,;74.08,-6.28,;75.42,-7.05,;76.75,-6.27,;78.08,-7.03,;76.74,-4.73,;78.06,-3.95,;75.4,-3.97,;63.43,-4.77,;62.09,-4,)| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus topoisomerase-4 assessed as reduction in decatenation of kinetoplast DNA agarose gel electrophoresis method				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00428 BindingDB Entry DOI: 10.7270/Q2Z89H4G
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50561954 (CHEMBL4751243) Show SMILES COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NC(=O)c3ccc4OCCOc4c3)c2c1 |r,wU:12.11,wD:15.18,(30.72,-2.75,;30.73,-4.28,;32.06,-5.05,;32.06,-6.6,;33.39,-7.37,;34.72,-6.59,;36.06,-7.37,;37.39,-6.59,;37.39,-5.04,;36.05,-4.28,;36.05,-2.74,;37.38,-1.96,;38.72,-2.73,;40.04,-1.94,;41.38,-2.72,;41.38,-4.26,;40.05,-5.03,;38.71,-4.27,;42.71,-5.03,;44.05,-4.26,;44.05,-2.72,;45.38,-5.03,;45.38,-6.57,;46.71,-7.33,;48.04,-6.57,;49.39,-7.34,;50.73,-6.56,;50.73,-5,;49.37,-4.22,;48.04,-5.01,;46.7,-4.25,;34.72,-5.05,;33.39,-4.28,)| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus topoisomerase-4 assessed as reduction in decatenation of kinetoplast DNA agarose gel electrophoresis method				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00428 BindingDB Entry DOI: 10.7270/Q2Z89H4G
					More data for this Ligand-Target Pair
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus)	BDBM50561959 (CHEMBL4759488) Show SMILES COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NC(=O)c3ccc(cc3)C(F)(F)F)c2c1 |r,wU:12.11,wD:15.18,(2.7,-32.4,;2.7,-33.94,;4.04,-34.7,;4.04,-36.25,;5.37,-37.02,;6.69,-36.25,;8.03,-37.02,;9.37,-36.25,;9.36,-34.7,;8.03,-33.94,;8.02,-32.39,;9.35,-31.61,;10.69,-32.38,;12.02,-31.6,;13.36,-32.37,;13.36,-33.92,;12.02,-34.68,;10.69,-33.92,;14.69,-34.68,;16.02,-33.92,;16.02,-32.38,;17.36,-34.68,;17.35,-36.22,;18.69,-36.99,;20.02,-36.21,;20.01,-34.67,;18.68,-33.91,;21.35,-36.97,;21.36,-38.51,;22.68,-36.2,;22.68,-37.74,;6.7,-34.71,;5.37,-33.94,)| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Staphylococcus aureus topoisomerase-4 assessed as reduction in decatenation of kinetoplast DNA agarose gel electrophoresis method				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00428 BindingDB Entry DOI: 10.7270/Q2Z89H4G
					More data for this Ligand-Target Pair