BDBM50153317 CHEMBL3774886

SMILES: CCOC(=O)c1c(C)n(Cc2cccc(C)c2)c2ccc(OCCCN3CCCCC3)cc12

InChI Key: InChIKey=HWYJNEJPKKUPPM-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50153317   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Quinolone resistance protein NorA (Staphylococcus aureus)	BDBM50153317 (CHEMBL3774886) Show SMILES CCOC(=O)c1c(C)n(Cc2cccc(C)c2)c2ccc(OCCCN3CCCCC3)cc12 Show InChI InChI=1S/C28H36N2O3/c1-4-32-28(31)27-22(3)30(20-23-11-8-10-21(2)18-23)26-13-12-24(19-25(26)27)33-17-9-16-29-14-6-5-7-15-29/h8,10-13,18-19H,4-7,9,14-17,20H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...				J Med Chem 59: 867-91 (2016) BindingDB Entry DOI: 10.7270/Q28W3G57
					More data for this Ligand-Target Pair