Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 240.2 BDBM50089775

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 (Enterobacter cloacae)	BDBM50089775 (CHEMBL287670 | Potassium; (4S,5R,6S)-6-((R)-1-hydr...) Show SMILES COC1=C(N2C([C@@H]([C@@H](C)O)C2=O)[C@@H]1C)C([O-])=O |t:2| Show InChI InChI=1S/C11H15NO5/c1-4-7-6(5(2)13)10(14)12(7)8(11(15)16)9(4)17-3/h4-7,13H,1-3H3,(H,15,16)/p-1/t4-,5+,6+,7?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
University of Munich Curated by ChEMBL					Assay Description Beta-Lactamase inhibition activity after 15 min of preincubation with the enzyme isolated from Enterobacter cloacae				Bioorg Med Chem Lett 10: 1389-91 (2000) BindingDB Entry DOI: 10.7270/Q2FN15GX
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50089775 (CHEMBL287670 | Potassium; (4S,5R,6S)-6-((R)-1-hydr...) Show SMILES COC1=C(N2C([C@@H]([C@@H](C)O)C2=O)[C@@H]1C)C([O-])=O |t:2| Show InChI InChI=1S/C11H15NO5/c1-4-7-6(5(2)13)10(14)12(7)8(11(15)16)9(4)17-3/h4-7,13H,1-3H3,(H,15,16)/p-1/t4-,5+,6+,7?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
University of Munich Curated by ChEMBL					Assay Description Beta-Lactamase inhibition activity after 15 min of preincubation with the enzyme isolated from Escherichia coli 205 TEM				Bioorg Med Chem Lett 10: 1389-91 (2000) BindingDB Entry DOI: 10.7270/Q2FN15GX
					More data for this Ligand-Target Pair