BDBM50266163 (S)-2-(4-iodophenyl)-N-(2-oxotetrahydrofuran-3-yl)acetamide::CHEMBL468790

SMILES: Ic1ccc(CC(=O)N[C@H]2CCOC2=O)cc1

InChI Key: InChIKey=IMJUHEKUNKCNGB-JTQLQIEISA-N

Data: 6 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 6 hits for monomerid = 50266163   

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 traR (Rhizobium radiobacter)	BDBM50266163 ((S)-2-(4-iodophenyl)-N-(2-oxotetrahydrofuran-3-yl)...) Show SMILES Ic1ccc(CC(=O)N[C@H]2CCOC2=O)cc1 |r| Show InChI InChI=1S/C12H12INO3/c13-9-3-1-8(2-4-9)7-11(15)14-10-5-6-17-12(10)16/h1-4,10H,5-7H2,(H,14,15)/t10-/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	1.25E+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
Transcriptional activator protein luxR (Vibrio fischeri (strain ATCC 700601 / ES114))	BDBM50266163 ((S)-2-(4-iodophenyl)-N-(2-oxotetrahydrofuran-3-yl)...) Show SMILES Ic1ccc(CC(=O)N[C@H]2CCOC2=O)cc1 |r| Show InChI InChI=1S/C12H12INO3/c13-9-3-1-8(2-4-9)7-11(15)14-10-5-6-17-12(10)16/h1-4,10H,5-7H2,(H,14,15)/t10-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	860	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 luxR (Vibrio fischeri)	BDBM50266163 ((S)-2-(4-iodophenyl)-N-(2-oxotetrahydrofuran-3-yl)...) Show SMILES Ic1ccc(CC(=O)N[C@H]2CCOC2=O)cc1 |r| Show InChI InChI=1S/C12H12INO3/c13-9-3-1-8(2-4-9)7-11(15)14-10-5-6-17-12(10)16/h1-4,10H,5-7H2,(H,14,15)/t10-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Larkin University Curated by ChEMBL					Assay Description Antagonist activity at Aliivibrio fischeri ES114 LuxR after 4 to 8 hrs by luminescence method				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115282
					More data for this Ligand-Target Pair
Transcriptional activator protein traR (Rhizobium radiobacter)	BDBM50266163 ((S)-2-(4-iodophenyl)-N-(2-oxotetrahydrofuran-3-yl)...) Show SMILES Ic1ccc(CC(=O)N[C@H]2CCOC2=O)cc1 |r| Show InChI InChI=1S/C12H12INO3/c13-9-3-1-8(2-4-9)7-11(15)14-10-5-6-17-12(10)16/h1-4,10H,5-7H2,(H,14,15)/t10-/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	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at Agrobacterium tumefaciens TraR receptor in presence of 100 nM 3-oxo-C8-HSL				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
Transcriptional activator protein lasR (Pseudomonas aeruginosa)	BDBM50266163 ((S)-2-(4-iodophenyl)-N-(2-oxotetrahydrofuran-3-yl)...) Show SMILES Ic1ccc(CC(=O)N[C@H]2CCOC2=O)cc1 |r| Show InChI InChI=1S/C12H12INO3/c13-9-3-1-8(2-4-9)7-11(15)14-10-5-6-17-12(10)16/h1-4,10H,5-7H2,(H,14,15)/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at Pseudomonas aeruginosa LasR receptor expressed in Escherichia coli in presence of 7.5 nM natural auto-inducer 3-oxo-C12-HSL				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
Transcriptional activator protein luxR (Vibrio fischeri)	BDBM50266163 ((S)-2-(4-iodophenyl)-N-(2-oxotetrahydrofuran-3-yl)...) Show SMILES Ic1ccc(CC(=O)N[C@H]2CCOC2=O)cc1 |r| Show InChI InChI=1S/C12H12INO3/c13-9-3-1-8(2-4-9)7-11(15)14-10-5-6-17-12(10)16/h1-4,10H,5-7H2,(H,14,15)/t10-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at Vibrio fischeri luxR receptor in presence of 5 uM 3-oxo-C6-HSL				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