Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase TEM' and Ligand = 'BDBM50033696'   

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)	BDBM50033696 (CHEMBL269308 | Sodium; (R)-3-acetoxymethyl-7-[1-te...) Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/C(=O)OC(C)(C)C)C2=O)C([O-])=O |t:5| Show InChI InChI=1S/C16H19NO7S/c1-8(18)23-6-9-7-25-14-10(5-11(19)24-16(2,3)4)13(20)17(14)12(9)15(21)22/h5,14H,6-7H2,1-4H3,(H,21,22)/p-1/b10-5-/t14-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>2.00E+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 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
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Beta-lactamase TEM (Escherichia coli)	BDBM50033696 (CHEMBL269308 | Sodium; (R)-3-acetoxymethyl-7-[1-te...) Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/C(=O)OC(C)(C)C)C2=O)C([O-])=O |t:5| Show InChI InChI=1S/C16H19NO7S/c1-8(18)23-6-9-7-25-14-10(5-11(19)24-16(2,3)4)13(20)17(14)12(9)15(21)22/h5,14H,6-7H2,1-4H3,(H,21,22)/p-1/b10-5-/t14-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description The concentration of compound to inhibit Beta-lactamase was measured on E. coli WC3310				J Med Chem 38: 1022-34 (1995) BindingDB Entry DOI: 10.7270/Q29S1Q29
					More data for this Ligand-Target Pair