Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM50081030'   

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 (Escherichia coli)	BDBM50081030 ((R)-2-((R)-2-Allyloxycarbonylamino-propionylsulfan...) Show SMILES C[C@@H](NC(=O)OCC=C)C(=O)S[C@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C16H19NO5S/c1-3-9-22-16(21)17-11(2)15(20)23-13(14(18)19)10-12-7-5-4-6-8-12/h3-8,11,13H,1,9-10H2,2H3,(H,17,21)(H,18,19)/t11-,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratorie Curated by ChEMBL					Assay Description Inhibitory activity against CCRA (B. fragilis) metallo-beta-lactamase				Bioorg Med Chem Lett 9: 2549-54 (1999) BindingDB Entry DOI: 10.7270/Q2KW5F8Q
					More data for this Ligand-Target Pair