Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 302.2 BDBM50284784

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 (Enterobacter cloacae)	BDBM50284784 (CHEMBL290112 | Sodium; (2S,5R)-6-[1-methoxycarbony...) Show SMILES COC(=O)\C=C1/[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O Show InChI InChI=1S/C11H13NO7S/c1-11(2)7(10(15)16)12-8(14)5(4-6(13)19-3)9(12)20(11,17)18/h4,7,9H,1-3H3,(H,15,16)/p-1/b5-4-/t7-,9+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	154	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of IL-1 beta converting enzyme (ICE) in human blood monocytes expressed as Kon				Bioorg Med Chem Lett 5: 1513-1518 (1995) Article DOI: 10.1016/0960-894X(95)00249-S BindingDB Entry DOI: 10.7270/Q2ZW1MDG
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50284784 (CHEMBL290112 | Sodium; (2S,5R)-6-[1-methoxycarbony...) Show SMILES COC(=O)\C=C1/[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O Show InChI InChI=1S/C11H13NO7S/c1-11(2)7(10(15)16)12-8(14)5(4-6(13)19-3)9(12)20(11,17)18/h4,7,9H,1-3H3,(H,15,16)/p-1/b5-4-/t7-,9+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	308	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against beta-Lactamase enzyme derived from Escherichia coli WC3310 TEM-2				Bioorg Med Chem Lett 5: 1513-1518 (1995) Article DOI: 10.1016/0960-894X(95)00249-S BindingDB Entry DOI: 10.7270/Q2ZW1MDG
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50284784 (CHEMBL290112 | Sodium; (2S,5R)-6-[1-methoxycarbony...) Show SMILES COC(=O)\C=C1/[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O Show InChI InChI=1S/C11H13NO7S/c1-11(2)7(10(15)16)12-8(14)5(4-6(13)19-3)9(12)20(11,17)18/h4,7,9H,1-3H3,(H,15,16)/p-1/b5-4-/t7-,9+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	615	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against beta-Lactamase enzyme derived from Enterobacter cloacae SC 12368 E-2				Bioorg Med Chem Lett 5: 1513-1518 (1995) Article DOI: 10.1016/0960-894X(95)00249-S BindingDB Entry DOI: 10.7270/Q2ZW1MDG
					More data for this Ligand-Target Pair