Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transcriptional activator protein LuxR' and Ligand = 'BDBM50350668'   

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
Transcriptional activator protein LuxR (Vibrio fischeri)	BDBM50350668 (CHEMBL1813545) Show SMILES CCCCCCCCn1cc[n+](c1)C(c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C24H27Cl4N2/c1-2-3-4-5-6-7-12-29-13-14-30(17-29)24(20-10-8-18(25)15-22(20)27)21-11-9-19(26)16-23(21)28/h8-11,13-17,24H,2-7,12H2,1H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
INSA Lyon Curated by ChEMBL					Assay Description Antagonist activity at Vibrio fischeri LuxR assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing activation mediated bioluminescence				Bioorg Med Chem 19: 4868-75 (2011) Article DOI: 10.1016/j.bmc.2011.06.075 BindingDB Entry DOI: 10.7270/Q2CC112H
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