Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 376.4 BDBM98759

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
Beta-lactamase (Pseudomonas aeruginosa)	BDBM98759 (US8487093, 124) Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NCCC2CCNCC2)C1=O |r| Show InChI InChI=1S/C14H24N4O6S/c19-13(16-8-5-10-3-6-15-7-4-10)12-2-1-11-9-17(12)14(20)18(11)24-25(21,22)23/h10-12,15H,1-9H2,(H,16,19)(H,21,22,23)/t11-,12+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.				US Patent US8487093 (2013) BindingDB Entry DOI: 10.7270/Q2057DKK
					More data for this Ligand-Target Pair
Beta-lactamase (Klebsiella pneumoniae)	BDBM98759 (US8487093, 124) Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NCCC2CCNCC2)C1=O |r| Show InChI InChI=1S/C14H24N4O6S/c19-13(16-8-5-10-3-6-15-7-4-10)12-2-1-11-9-17(12)14(20)18(11)24-25(21,22)23/h10-12,15H,1-9H2,(H,16,19)(H,21,22,23)/t11-,12+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.				US Patent US8487093 (2013) BindingDB Entry DOI: 10.7270/Q2057DKK
					More data for this Ligand-Target Pair