BDBM50350712 CHEMBL1812084

SMILES: [O-][N+](=O)c1cccc(CC(=O)N[C@H]2CCSC2=O)c1

InChI Key: InChIKey=RPWDLHYCWNMCOW-JTQLQIEISA-N

Data: 1 EC50

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 = 50350712   

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
Transcriptional activator protein luxR (Vibrio fischeri)	BDBM50350712 (CHEMBL1812084) Show SMILES [O-][N+](=O)c1cccc(CC(=O)N[C@H]2CCSC2=O)c1 |r| Show InChI InChI=1S/C12H12N2O4S/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 PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Agonist activity at Vibrio fischeri ESI 114 (delta-LuxI) LuxR after 8 hrs by beta-galactosidase reporter gene assay relative to OdDHL				Bioorg Med Chem 19: 4820-8 (2011) Article DOI: 10.1016/j.bmc.2011.06.071 BindingDB Entry DOI: 10.7270/Q27D2W47
					More data for this Ligand-Target Pair