Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 340.3 BDBM65976

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 hits in this display   

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
Alkanal monooxygenase alpha chain (Vibrio harveyi)	BDBM65976 (MLS000099320 | N-(6-methyl-2-pyridinyl)-4-phenoxyb...) Show SMILES Cc1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1 Show InChI InChI=1S/C18H16N2O3S/c1-14-6-5-9-18(19-14)20-24(21,22)17-12-10-16(11-13-17)23-15-7-3-2-4-8-15/h2-13H,1H3,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.60E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Quorum Sensing,Auto-inducer 2(AI-2),Vibrio harveyi,LuxS,LuxPQ,LuxO,LuxU,luciferase,Luminescence Assay Overview: A modified strain of Vibri...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q22R3Q4F
					More data for this Ligand-Target Pair
S-ribosylhomocysteine lyase (Vibrio harveyi)	BDBM65976 (MLS000099320 | N-(6-methyl-2-pyridinyl)-4-phenoxyb...) Show SMILES Cc1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1 Show InChI InChI=1S/C18H16N2O3S/c1-14-6-5-9-18(19-14)20-24(21,22)17-12-10-16(11-13-17)23-15-7-3-2-4-8-15/h2-13H,1H3,(H,19,20)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.56E+3	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Quorum Sensing, Auto-inducer 2 (AI-2), Vibrio harveyi, LuxS, LuxPQ, Luminescence Assay Overview: A modified strain of Vibrio harveyi with ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2Z036M0
					More data for this Ligand-Target Pair
S-ribosylhomocysteine lyase (Vibrio harveyi)	BDBM65976 (MLS000099320 | N-(6-methyl-2-pyridinyl)-4-phenoxyb...) Show SMILES Cc1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1 Show InChI InChI=1S/C18H16N2O3S/c1-14-6-5-9-18(19-14)20-24(21,22)17-12-10-16(11-13-17)23-15-7-3-2-4-8-15/h2-13H,1H3,(H,19,20)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.50E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: LuxS enzyme, AI-2 Assay Overview: The overall aim of the project is to identify inhibitors of the quorum sensing pathway in Vibrio harveyi...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23F4N29
					More data for this Ligand-Target Pair
Alkanal monooxygenase alpha chain (Vibrio harveyi)	BDBM65976 (MLS000099320 | N-(6-methyl-2-pyridinyl)-4-phenoxyb...) Show SMILES Cc1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1 Show InChI InChI=1S/C18H16N2O3S/c1-14-6-5-9-18(19-14)20-24(21,22)17-12-10-16(11-13-17)23-15-7-3-2-4-8-15/h2-13H,1H3,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Quorum Sensing, Auto-inducer 2 (AI-2), Vibrio harveyi, LuxS,LuxPQ,LuxO,LuxU,LuxR,luciferase,Luminescence Assay Overview: A modified strain ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PG1Q5Z
					More data for this Ligand-Target Pair
Alkanal monooxygenase alpha chain (Vibrio harveyi)	BDBM65976 (MLS000099320 | N-(6-methyl-2-pyridinyl)-4-phenoxyb...) Show SMILES Cc1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1 Show InChI InChI=1S/C18H16N2O3S/c1-14-6-5-9-18(19-14)20-24(21,22)17-12-10-16(11-13-17)23-15-7-3-2-4-8-15/h2-13H,1H3,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.60E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Quorum Sensing, LuxPQ receptor, AI-2 Assay Overview: The overall aim of the project is to identify inhibitors of the quorum sensing pathwa...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2736PC9
					More data for this Ligand-Target Pair
S-ribosylhomocysteine lyase (Vibrio harveyi)	BDBM65976 (MLS000099320 | N-(6-methyl-2-pyridinyl)-4-phenoxyb...) Show SMILES Cc1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1 Show InChI InChI=1S/C18H16N2O3S/c1-14-6-5-9-18(19-14)20-24(21,22)17-12-10-16(11-13-17)23-15-7-3-2-4-8-15/h2-13H,1H3,(H,19,20)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.60E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Quorum Sensing, Auto-inducer 2 (AI-2), Vibrio harveyi, LuxS, LuxPQ, Luminescence Assay Overview: A modified strain of Vibrio harveyi with ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2T72FW8
					More data for this Ligand-Target Pair