Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-lactamase TEM' and Ligand = 'BDBM50033683'   

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)	BDBM50033683 (CHEMBL8353 | Sodium; (R)-3-acetoxymethyl-7-[1-(met...) Show SMILES CON(C)C(=O)\C=C1/[C@H]2SCC(COC(C)=O)=C(N2C1=O)C([O-])=O |c:16| Show InChI InChI=1S/C14H16N2O7S/c1-7(17)23-5-8-6-24-13-9(4-10(18)15(2)22-3)12(19)16(13)11(8)14(20)21/h4,13H,5-6H2,1-3H3,(H,20,21)/p-1/b9-4-/t13-/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
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