Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50001895   

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 (Staphylococcus aureus)	BDBM50449893 (CHEMBL4175527) Show SMILES Fc1ccc(cc1Cl)-n1nnnc1NCc1ccco1 Show InChI InChI=1S/C12H9ClFN5O/c13-10-6-8(3-4-11(10)14)19-12(16-17-18-19)15-7-9-2-1-5-20-9/h1-6H,7H2,(H,15,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase supercoiling activity using pBR322 DNA as substrate after 30 mins by ethidium bromide staining based a...				Eur J Med Chem 156: 631-640 (2018) Article DOI: 10.1016/j.ejmech.2018.07.041 BindingDB Entry DOI: 10.7270/Q2VQ357Z
					More data for this Ligand-Target Pair
DNA gyrase 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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase supercoiling activity using pBR322 DNA as substrate after 30 mins by ethidium bromide staining based a...				Eur J Med Chem 156: 631-640 (2018) Article DOI: 10.1016/j.ejmech.2018.07.041 BindingDB Entry DOI: 10.7270/Q2VQ357Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50449892 (CHEMBL4167345) Show SMILES Cc1ccc(cc1Cl)-n1nnnc1NCc1ccco1 Show InChI InChI=1S/C13H12ClN5O/c1-9-4-5-10(7-12(9)14)19-13(16-17-18-19)15-8-11-3-2-6-20-11/h2-7H,8H2,1H3,(H,15,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase supercoiling activity using pBR322 DNA as substrate after 30 mins by ethidium bromide staining based a...				Eur J Med Chem 156: 631-640 (2018) Article DOI: 10.1016/j.ejmech.2018.07.041 BindingDB Entry DOI: 10.7270/Q2VQ357Z
					More data for this Ligand-Target Pair