Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 226.2 BDBM50089777

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)	BDBM50089777 (CHEMBL27621 | Potassium; (5R,6S)-6-((R)-1-hydroxy-...) Show SMILES COC1=C(N2[C@H](C1)[C@@H]([C@@H](C)O)C2=O)C([O-])=O |t:2| Show InChI InChI=1S/C10H13NO5/c1-4(12)7-5-3-6(16-2)8(10(14)15)11(5)9(7)13/h4-5,7,12H,3H2,1-2H3,(H,14,15)/p-1/t4-,5-,7-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	510	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)	BDBM50089777 (CHEMBL27621 | Potassium; (5R,6S)-6-((R)-1-hydroxy-...) Show SMILES COC1=C(N2[C@H](C1)[C@@H]([C@@H](C)O)C2=O)C([O-])=O |t:2| Show InChI InChI=1S/C10H13NO5/c1-4(12)7-5-3-6(16-2)8(10(14)15)11(5)9(7)13/h4-5,7,12H,3H2,1-2H3,(H,14,15)/p-1/t4-,5-,7-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40E+5	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