Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM50348190'   

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 (Pseudomonas aeruginosa (PAO1))	BDBM50348190 (CHEMBL1800183) Show SMILES CNCCCCNC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r| Show InChI InChI=1S/C11H20N4O5S/c1-12-5-2-3-6-13-11(17)14-7-4-8-9(14)10(16)15(8)21(18,19)20/h8-9,12H,2-7H2,1H3,(H,13,17)(H,18,19,20)/t8-,9+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa CL5701 AmpC by spectrophotometric assay				Bioorg Med Chem Lett 21: 4267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.05.065 BindingDB Entry DOI: 10.7270/Q2WW7J1C
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