BDBM50465702 CHEMBL4292339

SMILES: Brc1cccc(OCCCCC(=O)NC2CCSC2=O)c1

InChI Key: InChIKey=YXDQNVZRRGTPNR-UHFFFAOYSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50465702   

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
Regulatory protein RhlR (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM50465702 (CHEMBL4292339) Show SMILES Brc1cccc(OCCCCC(=O)NC2CCSC2=O)c1 Show InChI InChI=1S/C15H18BrNO3S/c16-11-4-3-5-12(10-11)20-8-2-1-6-14(18)17-13-7-9-21-15(13)19/h3-5,10,13H,1-2,6-9H2,(H,17,18)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa GFP-fused RhlR expressed in Escherichia coli BL21-Gold (DE3) co-expressing rhlA promoter by beta-galactosidase r...				J Med Chem 61: 10385-10402 (2018) Article DOI: 10.1021/acs.jmedchem.8b00540 BindingDB Entry DOI: 10.7270/Q2XP77NZ
					More data for this Ligand-Target Pair