Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 370.3 BDBM50021958

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

Found 1 hit 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 TEM (Escherichia coli)	BDBM50021958 (CHEMBL33950 | Sodium; 3-(4-ethoxycarbonyl-[1,2,3]t...) Show SMILES CCOC(=O)c1cn(C[C@@]2(C)[C@@H](C3C(CC3=O)S2(=O)=O)C([O-])=O)nn1 Show InChI InChI=1S/C14H17N3O7S/c1-3-24-13(21)7-5-17(16-15-7)6-14(2)11(12(19)20)10-8(18)4-9(10)25(14,22)23/h5,9-11H,3-4,6H2,1-2H3,(H,19,20)/p-1/t9?,10?,11-,14-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Beta-lactamase from Bacillus sp. using penicillin G as substrate				J Med Chem 30: 1469-74 (1987) BindingDB Entry DOI: 10.7270/Q28G8JQ0
					More data for this Ligand-Target Pair