BDBM50265813 (S)-3-(4-(methylthio)phenyl)-N-(2-oxotetrahydrofuran-3-yl)propanamide::CHEMBL442902

SMILES: CSc1ccc(CCC(=O)N[C@H]2CCOC2=O)cc1

InChI Key: InChIKey=YPUUYZKMXWZLHU-LBPRGKRZSA-N

Data: 2 IC50

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 2 hits for monomerid = 50265813   

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 (strain ATCC 700601 / ES114))	BDBM50265813 ((S)-3-(4-(methylthio)phenyl)-N-(2-oxotetrahydrofur...) Show SMILES CSc1ccc(CCC(=O)N[C@H]2CCOC2=O)cc1 |r| Show InChI InChI=1S/C14H17NO3S/c1-19-11-5-2-10(3-6-11)4-7-13(16)15-12-8-9-18-14(12)17/h2-3,5-6,12H,4,7-9H2,1H3,(H,15,16)/t12-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Antagonist activity at Vibrio fischeri ES114 LuxR receptor assessed as inhibition of OHHL-induced response by luciferase reporter gene assay				Bioorg Med Chem Lett 18: 5978-81 (2008) Article DOI: 10.1016/j.bmcl.2008.07.089 BindingDB Entry DOI: 10.7270/Q2Q81CXX
					More data for this Ligand-Target Pair
Transcriptional activator protein traR (Rhizobium radiobacter)	BDBM50265813 ((S)-3-(4-(methylthio)phenyl)-N-(2-oxotetrahydrofur...) Show SMILES CSc1ccc(CCC(=O)N[C@H]2CCOC2=O)cc1 |r| Show InChI InChI=1S/C14H17NO3S/c1-19-11-5-2-10(3-6-11)4-7-13(16)15-12-8-9-18-14(12)17/h2-3,5-6,12H,4,7-9H2,1H3,(H,15,16)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Antagonist activity at Agrobacterium tumefaciens WCF47 TraR receptor assessed as inhibition of OOHL-induced response by beta-galctosidase reporter ge...				Bioorg Med Chem Lett 18: 5978-81 (2008) Article DOI: 10.1016/j.bmcl.2008.07.089 BindingDB Entry DOI: 10.7270/Q2Q81CXX
					More data for this Ligand-Target Pair