Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 329.3 BDBM50076683

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 TEM (Escherichia coli)	BDBM50076683 (CHEMBL6533 | Sodium; (2S,3S,5R,6R)-6-hydroxymethyl...) Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C([O-])=O Show InChI InChI=1S/C11H14N4O6S/c1-11(5-14-3-2-12-13-14)7(10(18)19)15-8(17)6(4-16)9(15)22(11,20)21/h2-3,6-7,9,16H,4-5H2,1H3,(H,18,19)/p-1/t6-,7+,9-,11+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against TEM-1 (class A) beta-lactamase				Bioorg Med Chem Lett 9: 997-1002 (1999) BindingDB Entry DOI: 10.7270/Q2PK0FBJ
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50076683 (CHEMBL6533 | Sodium; (2S,3S,5R,6R)-6-hydroxymethyl...) Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C([O-])=O Show InChI InChI=1S/C11H14N4O6S/c1-11(5-14-3-2-12-13-14)7(10(18)19)15-8(17)6(4-16)9(15)22(11,20)21/h2-3,6-7,9,16H,4-5H2,1H3,(H,18,19)/p-1/t6-,7+,9-,11+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against AmpC (class C) beta-lactamase				Bioorg Med Chem Lett 9: 997-1002 (1999) BindingDB Entry DOI: 10.7270/Q2PK0FBJ
					More data for this Ligand-Target Pair