Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Quinolone resistance protein NorA' and Ligand = 'BDBM50368195'   

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
Quinolone resistance protein NorA (Staphylococcus aureus)	BDBM50368195 (CHEMBL4175014) Show SMILES CCCOc1ccc(cc1)-c1cc(OCCN2CCc3cc(OC)c(OC)cc3C2)c2c(OC)cc(OC)cc2n1 Show InChI InChI=1S/C33H38N2O6/c1-6-14-40-25-9-7-22(8-10-25)27-20-32(33-28(34-27)18-26(36-2)19-31(33)39-5)41-15-13-35-12-11-23-16-29(37-3)30(38-4)17-24(23)21-35/h7-10,16-20H,6,11-15,21H2,1-5H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of NorA in Staphylococcus aureus SA-1199B expressing GrlA A116E mutant assessed as reduction in EtBr efflux incubated for 5 mins by fluore...				J Med Chem 61: 7827-7848 (2018) Article DOI: 10.1021/acs.jmedchem.8b00791 BindingDB Entry DOI: 10.7270/Q2D50QHG
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