Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 345.2 BDBM50079685

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

Found 3 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 (Staphylococcus aureus)	BDBM50079685 (CHEMBL61762 | disodium (2S,3R,5R,6Z)-3-[(acetyloxy...) Show SMILES CC(=O)OC[C@@]1(C)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O Show InChI InChI=1S/C12H13NO9S/c1-5(14)22-4-12(2)8(11(18)19)13-9(17)6(3-7(15)16)10(13)23(12,20)21/h3,8,10H,4H2,1-2H3,(H,15,16)(H,18,19)/p-2/b6-3-/t8-,10?,12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibitory activity against serine Beta-lactamase derived from Staphylococcus aureus				Bioorg Med Chem Lett 9: 1997-2002 (1999) BindingDB Entry DOI: 10.7270/Q2TQ60RF
					More data for this Ligand-Target Pair
Beta-lactamase (Staphylococcus aureus)	BDBM50079685 (CHEMBL61762 | disodium (2S,3R,5R,6Z)-3-[(acetyloxy...) Show SMILES CC(=O)OC[C@@]1(C)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O Show InChI InChI=1S/C12H13NO9S/c1-5(14)22-4-12(2)8(11(18)19)13-9(17)6(3-7(15)16)10(13)23(12,20)21/h3,8,10H,4H2,1-2H3,(H,15,16)(H,18,19)/p-2/b6-3-/t8-,10?,12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	708	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibitory activity against serine Beta-lactamase derived from Staphylococcus aureus				Bioorg Med Chem Lett 9: 1997-2002 (1999) BindingDB Entry DOI: 10.7270/Q2TQ60RF
					More data for this Ligand-Target Pair
Beta-lactamase (Staphylococcus aureus)	BDBM50079685 (CHEMBL61762 | disodium (2S,3R,5R,6Z)-3-[(acetyloxy...) Show SMILES CC(=O)OC[C@@]1(C)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O Show InChI InChI=1S/C12H13NO9S/c1-5(14)22-4-12(2)8(11(18)19)13-9(17)6(3-7(15)16)10(13)23(12,20)21/h3,8,10H,4H2,1-2H3,(H,15,16)(H,18,19)/p-2/b6-3-/t8-,10?,12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibitory activity against serine beta-lactamase, PC1 (class A) derived from Staphylococcus aureus				Bioorg Med Chem Lett 9: 1997-2002 (1999) BindingDB Entry DOI: 10.7270/Q2TQ60RF
					More data for this Ligand-Target Pair