Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM50033690'   

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)	BDBM50033690 (CHEMBL416327 | Sodium; (R)-3-acetoxymethyl-7-(3,3-...) Show SMILES CC(=O)OCC1=C(N2[C@@H](C(=C=CC(C)(C)C)C2=O)S(=O)(=O)C1)C([O-])=O |wU:8.7,t:5,(16.92,-5.61,;15.59,-6.38,;15.59,-7.93,;14.24,-5.62,;12.91,-6.4,;11.56,-5.63,;10.23,-6.4,;8.9,-5.63,;8.9,-4.09,;7.36,-4.09,;6.28,-3.01,;5.19,-1.92,;3.69,-2.32,;3.3,-.82,;4.09,-3.81,;2.2,-2.71,;7.36,-5.63,;6.28,-6.7,;10.23,-3.32,;9.22,-2.13,;11.56,-2.55,;11.56,-4.09,;10.23,-7.94,;11.56,-8.71,;8.9,-8.71,)| Show InChI InChI=1S/C16H19NO7S/c1-9(18)24-7-10-8-25(22,23)14-11(5-6-16(2,3)4)13(19)17(14)12(10)15(20)21/h6,14H,7-8H2,1-4H3,(H,20,21)/p-1/t5?,14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	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 Enterobacter cloacae P99				J Med Chem 38: 1022-34 (1995) BindingDB Entry DOI: 10.7270/Q29S1Q29
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50033690 (CHEMBL416327 | Sodium; (R)-3-acetoxymethyl-7-(3,3-...) Show SMILES CC(=O)OCC1=C(N2[C@@H](C(=C=CC(C)(C)C)C2=O)S(=O)(=O)C1)C([O-])=O |wU:8.7,t:5,(16.92,-5.61,;15.59,-6.38,;15.59,-7.93,;14.24,-5.62,;12.91,-6.4,;11.56,-5.63,;10.23,-6.4,;8.9,-5.63,;8.9,-4.09,;7.36,-4.09,;6.28,-3.01,;5.19,-1.92,;3.69,-2.32,;3.3,-.82,;4.09,-3.81,;2.2,-2.71,;7.36,-5.63,;6.28,-6.7,;10.23,-3.32,;9.22,-2.13,;11.56,-2.55,;11.56,-4.09,;10.23,-7.94,;11.56,-8.71,;8.9,-8.71,)| Show InChI InChI=1S/C16H19NO7S/c1-9(18)24-7-10-8-25(22,23)14-11(5-6-16(2,3)4)13(19)17(14)12(10)15(20)21/h6,14H,7-8H2,1-4H3,(H,20,21)/p-1/t5?,14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	260	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. cloacae SC 12368				J Med Chem 38: 1022-34 (1995) BindingDB Entry DOI: 10.7270/Q29S1Q29
					More data for this Ligand-Target Pair