Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50038199   

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)	BDBM50373056 (CHEMBL261163) Show SMILES CCCCCNS(=O)(=O)NC1CCOC1=O Show InChI InChI=1S/C9H18N2O4S/c1-2-3-4-6-10-16(13,14)11-8-5-7-15-9(8)12/h8,10-11H,2-7H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
INSA Lyon Curated by ChEMBL					Assay Description Antagonist activity at LuxR in Vibrio fischeri assessed as inhibition of N-3-oxos-hexanoyl-L-homoserine lactone induced luminescence				Bioorg Med Chem 16: 3550-6 (2008) Article DOI: 10.1016/j.bmc.2008.02.023 BindingDB Entry DOI: 10.7270/Q2X63NTT
					More data for this Ligand-Target Pair
Transcriptional activator protein LuxR (Vibrio fischeri)	BDBM50373048 (CHEMBL184106) Show SMILES CCCCCS(=O)(=O)NC1CCOC1=O Show InChI InChI=1S/C9H17NO4S/c1-2-3-4-7-15(12,13)10-8-5-6-14-9(8)11/h8,10H,2-7H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
INSA Lyon Curated by ChEMBL					Assay Description Antagonist activity at LuxR in Vibrio fischeri assessed as inhibition of N-3-oxos-hexanoyl-L-homoserine lactone induced luminescence				Bioorg Med Chem 16: 3550-6 (2008) Article DOI: 10.1016/j.bmc.2008.02.023 BindingDB Entry DOI: 10.7270/Q2X63NTT
					More data for this Ligand-Target Pair
Transcriptional activator protein LuxR (Vibrio fischeri)	BDBM50373057 (CHEMBL261162) Show SMILES CCCCNS(=O)(=O)NC1CCOC1=O Show InChI InChI=1S/C8H16N2O4S/c1-2-3-5-9-15(12,13)10-7-4-6-14-8(7)11/h7,9-10H,2-6H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
INSA Lyon Curated by ChEMBL					Assay Description Antagonist activity at LuxR in Vibrio fischeri assessed as inhibition of N-3-oxos-hexanoyl-L-homoserine lactone induced luminescence				Bioorg Med Chem 16: 3550-6 (2008) Article DOI: 10.1016/j.bmc.2008.02.023 BindingDB Entry DOI: 10.7270/Q2X63NTT
					More data for this Ligand-Target Pair
Transcriptional activator protein LuxR (Vibrio fischeri)	BDBM50373047 (CHEMBL260235) Show SMILES CCCCNC(=O)NC1CCOC1=O Show InChI InChI=1S/C9H16N2O3/c1-2-3-5-10-9(13)11-7-4-6-14-8(7)12/h7H,2-6H2,1H3,(H2,10,11,13)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
INSA Lyon Curated by ChEMBL					Assay Description Antagonist activity at LuxR in Vibrio fischeri assessed as inhibition of N-3-oxos-hexanoyl-L-homoserine lactone induced luminescence				Bioorg Med Chem 16: 3550-6 (2008) Article DOI: 10.1016/j.bmc.2008.02.023 BindingDB Entry DOI: 10.7270/Q2X63NTT
					More data for this Ligand-Target Pair
Transcriptional activator protein LuxR (Vibrio fischeri)	BDBM50373055 (CHEMBL408369) Show SMILES CCCCCCNS(=O)(=O)NC1CCOC1=O |w:11.10| Show InChI InChI=1S/C10H20N2O4S/c1-2-3-4-5-7-11-17(14,15)12-9-6-8-16-10(9)13/h9,11-12H,2-8H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
INSA Lyon Curated by ChEMBL					Assay Description Antagonist activity at LuxR in Vibrio fischeri assessed as inhibition of N-3-oxos-hexanoyl-L-homoserine lactone induced luminescence				Bioorg Med Chem 16: 3550-6 (2008) Article DOI: 10.1016/j.bmc.2008.02.023 BindingDB Entry DOI: 10.7270/Q2X63NTT
					More data for this Ligand-Target Pair
Transcriptional activator protein LuxR (Vibrio fischeri)	BDBM50373052 (CHEMBL404926) Show SMILES O=C1OCCC1NS(=O)(=O)NCc1ccccc1 |w:5.6| Show InChI InChI=1S/C11H14N2O4S/c14-11-10(6-7-17-11)13-18(15,16)12-8-9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
INSA Lyon Curated by ChEMBL					Assay Description Antagonist activity at LuxR in Vibrio fischeri assessed as inhibition of N-3-oxos-hexanoyl-L-homoserine lactone induced luminescence				Bioorg Med Chem 16: 3550-6 (2008) Article DOI: 10.1016/j.bmc.2008.02.023 BindingDB Entry DOI: 10.7270/Q2X63NTT
					More data for this Ligand-Target Pair
Transcriptional activator protein LuxR (Vibrio fischeri)	BDBM50373054 (CHEMBL408296) Show SMILES CCCCCCCCNS(=O)(=O)NC1CCOC1=O Show InChI InChI=1S/C12H24N2O4S/c1-2-3-4-5-6-7-9-13-19(16,17)14-11-8-10-18-12(11)15/h11,13-14H,2-10H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
INSA Lyon Curated by ChEMBL					Assay Description Antagonist activity at LuxR in Vibrio fischeri assessed as inhibition of N-3-oxos-hexanoyl-L-homoserine lactone induced luminescence				Bioorg Med Chem 16: 3550-6 (2008) Article DOI: 10.1016/j.bmc.2008.02.023 BindingDB Entry DOI: 10.7270/Q2X63NTT
					More data for this Ligand-Target Pair
Transcriptional activator protein LuxR (Vibrio fischeri)	BDBM50373053 (CHEMBL260905) Show SMILES CCCCCCCCCCNS(=O)(=O)NC1CCOC1=O Show InChI InChI=1S/C14H28N2O4S/c1-2-3-4-5-6-7-8-9-11-15-21(18,19)16-13-10-12-20-14(13)17/h13,15-16H,2-12H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
INSA Lyon Curated by ChEMBL					Assay Description Antagonist activity at LuxR in Vibrio fischeri assessed as inhibition of N-3-oxos-hexanoyl-L-homoserine lactone induced luminescence				Bioorg Med Chem 16: 3550-6 (2008) Article DOI: 10.1016/j.bmc.2008.02.023 BindingDB Entry DOI: 10.7270/Q2X63NTT
					More data for this Ligand-Target Pair
Transcriptional activator protein LuxR (Vibrio fischeri)	BDBM50373050 (CHEMBL258584) Show SMILES O=C1OCCC1NS(=O)(=O)NCCCc1ccccc1 Show InChI InChI=1S/C13H18N2O4S/c16-13-12(8-10-19-13)15-20(17,18)14-9-4-7-11-5-2-1-3-6-11/h1-3,5-6,12,14-15H,4,7-10H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
INSA Lyon Curated by ChEMBL					Assay Description Antagonist activity at LuxR in Vibrio fischeri assessed as inhibition of N-3-oxos-hexanoyl-L-homoserine lactone induced luminescence				Bioorg Med Chem 16: 3550-6 (2008) Article DOI: 10.1016/j.bmc.2008.02.023 BindingDB Entry DOI: 10.7270/Q2X63NTT
					More data for this Ligand-Target Pair
Transcriptional activator protein LuxR (Vibrio fischeri)	BDBM50373049 (CHEMBL408121) Show SMILES O=C1OCCC1NS(=O)(=O)NCCCCc1ccccc1 Show InChI InChI=1S/C14H20N2O4S/c17-14-13(9-11-20-14)16-21(18,19)15-10-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,13,15-16H,4-5,8-11H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
INSA Lyon Curated by ChEMBL					Assay Description Antagonist activity at LuxR in Vibrio fischeri assessed as inhibition of N-3-oxos-hexanoyl-L-homoserine lactone induced luminescence				Bioorg Med Chem 16: 3550-6 (2008) Article DOI: 10.1016/j.bmc.2008.02.023 BindingDB Entry DOI: 10.7270/Q2X63NTT
					More data for this Ligand-Target Pair
Transcriptional activator protein LuxR (Vibrio fischeri)	BDBM50373051 (CHEMBL404924) Show SMILES O=C1OCCC1NS(=O)(=O)NCCc1ccccc1 Show InChI InChI=1S/C12H16N2O4S/c15-12-11(7-9-18-12)14-19(16,17)13-8-6-10-4-2-1-3-5-10/h1-5,11,13-14H,6-9H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
INSA Lyon Curated by ChEMBL					Assay Description Antagonist activity at LuxR in Vibrio fischeri assessed as inhibition of N-3-oxos-hexanoyl-L-homoserine lactone induced luminescence				Bioorg Med Chem 16: 3550-6 (2008) Article DOI: 10.1016/j.bmc.2008.02.023 BindingDB Entry DOI: 10.7270/Q2X63NTT
					More data for this Ligand-Target Pair