Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 327.3 BDBM50200318

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

Found 2 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
Outer membrane protein MIP (Legionella pneumophila)	BDBM50200318 (CHEMBL3914698) Show SMILES OCCOC(=O)C1CCCCN1S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C15H21NO5S/c17-10-11-21-15(18)14-8-4-5-9-16(14)22(19,20)12-13-6-2-1-3-7-13/h1-3,6-7,14,17H,4-5,8-12H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Inhibition of Mip PPIase activity in Legionella pneumophila				Bioorg Med Chem 24: 5134-5147 (2016) Article DOI: 10.1016/j.bmc.2016.08.025 BindingDB Entry DOI: 10.7270/Q2GF0WGG
					More data for this Ligand-Target Pair
Outer membrane protein MIP (Legionella pneumophila)	BDBM50200318 (CHEMBL3914698) Show SMILES OCCOC(=O)C1CCCCN1S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C15H21NO5S/c17-10-11-21-15(18)14-8-4-5-9-16(14)22(19,20)12-13-6-2-1-3-7-13/h1-3,6-7,14,17H,4-5,8-12H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Inhibition of Mip PPIase activity in Legionella pneumophila				Bioorg Med Chem 24: 5134-5147 (2016) Article DOI: 10.1016/j.bmc.2016.08.025 BindingDB Entry DOI: 10.7270/Q2GF0WGG
					More data for this Ligand-Target Pair