Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transcriptional activator protein LuxR' and Ligand = 'BDBM50350653'   

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)	BDBM50350653 (CHEMBL1813540) Show SMILES CCCCCCCCCCn1cc[n+](c1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H33Cl2N2/c1-2-3-4-5-6-7-8-9-18-29-19-20-30(21-29)26(22-10-14-24(27)15-11-22)23-12-16-25(28)17-13-23/h10-17,19-21,26H,2-9,18H2,1H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+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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