Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 344.3 BDBM50284793

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 TEM (Escherichia coli)	BDBM50284793 (CHEMBL284539 | Sodium; (2S,5R)-6-[1-tert-butoxycar...) Show SMILES CC(C)(C)OC(=O)\C=C1/[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O Show InChI InChI=1S/C14H19NO7S/c1-13(2,3)22-8(16)6-7-10(17)15-9(12(18)19)14(4,5)23(20,21)11(7)15/h6,9,11H,1-5H3,(H,18,19)/p-1/b7-6-/t9-,11+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	136	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)	BDBM50284793 (CHEMBL284539 | Sodium; (2S,5R)-6-[1-tert-butoxycar...) Show SMILES CC(C)(C)OC(=O)\C=C1/[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O Show InChI InChI=1S/C14H19NO7S/c1-13(2,3)22-8(16)6-7-10(17)15-9(12(18)19)14(4,5)23(20,21)11(7)15/h6,9,11H,1-5H3,(H,18,19)/p-1/b7-6-/t9-,11+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.09E+3	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 P99				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)	BDBM50284793 (CHEMBL284539 | Sodium; (2S,5R)-6-[1-tert-butoxycar...) Show SMILES CC(C)(C)OC(=O)\C=C1/[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O Show InChI InChI=1S/C14H19NO7S/c1-13(2,3)22-8(16)6-7-10(17)15-9(12(18)19)14(4,5)23(20,21)11(7)15/h6,9,11H,1-5H3,(H,18,19)/p-1/b7-6-/t9-,11+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.36E+4	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