Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transcriptional activator protein LuxR' and Ligand = 'BDBM50241431'   

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 (strain ATCC 700601 / ES114))	BDBM50241431 ((S)-2-(3-nitrophenyl)-N-(2-oxo-tetrahydrofuran-3-y...) Show SMILES [O-][N+](=O)c1cccc(CC(=O)N[C@H]2CCOC2=O)c1 |r| Show InChI InChI=1S/C12H12N2O5/c15-11(13-10-4-5-19-12(10)16)7-8-2-1-3-9(6-8)14(17)18/h1-3,6,10H,4-5,7H2,(H,13,15)/t10-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars		n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Transcriptional activator protein LuxR (Vibrio fischeri)	BDBM50241431 ((S)-2-(3-nitrophenyl)-N-(2-oxo-tetrahydrofuran-3-y...) Show SMILES [O-][N+](=O)c1cccc(CC(=O)N[C@H]2CCOC2=O)c1 |r| Show InChI InChI=1S/C12H12N2O5/c15-11(13-10-4-5-19-12(10)16)7-8-2-1-3-9(6-8)14(17)18/h1-3,6,10H,4-5,7H2,(H,13,15)/t10-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	350	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Agonist activity at Vibrio fischeri luxR receptor in absence of natural autoinducer				J Med Chem 53: 7467-89 (2010) Article DOI: 10.1021/jm901742e BindingDB Entry DOI: 10.7270/Q2S75GPT
					More data for this Ligand-Target Pair