Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 343.3 BDBM98811

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)	BDBM98811 (US8487093, 202) Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2cnccn2)C1=O |r| Show InChI InChI=1S/C11H13N5O6S/c17-10(14-9-5-12-3-4-13-9)8-2-1-7-6-15(8)11(18)16(7)22-23(19,20)21/h3-5,7-8H,1-2,6H2,(H,13,14,17)(H,19,20,21)/t7-,8+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	6	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)	BDBM98811 (US8487093, 202) Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2cnccn2)C1=O |r| Show InChI InChI=1S/C11H13N5O6S/c17-10(14-9-5-12-3-4-13-9)8-2-1-7-6-15(8)11(18)16(7)22-23(19,20)21/h3-5,7-8H,1-2,6H2,(H,13,14,17)(H,19,20,21)/t7-,8+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	58	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