BDBM50350704 CHEMBL1814829

SMILES: CCCCCC(=O)CC(=O)N[C@H]1CCSC1=O

InChI Key: InChIKey=JNXSGGJSWVMKAD-JTQLQIEISA-N

Data: 1 IC50  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 2 hits for monomerid = 50350704   

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)	BDBM50350704 (CHEMBL1814829) Show SMILES CCCCCC(=O)CC(=O)N[C@H]1CCSC1=O |r| Show InChI InChI=1S/C12H19NO3S/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h10H,2-8H2,1H3,(H,13,15)/t10-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	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 ESI 114 (delta-LuxI) LuxR assessed as inhibition of OdDHL-induced quorum sensing activation after 8 hrs by bet...				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
Transcriptional activator protein traR (Rhizobium radiobacter)	BDBM50350704 (CHEMBL1814829) Show SMILES CCCCCC(=O)CC(=O)N[C@H]1CCSC1=O |r| Show InChI InChI=1S/C12H19NO3S/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h10H,2-8H2,1H3,(H,13,15)/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Agonist activity at Agrobacterium tumefaciens WCF (pCF372) TraR 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