Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM50142711'   

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)	BDBM50142711 ((R)-5-Methyl-2-(6-oxo-5-phenyl-3-thioxo-piperazin-...) Show SMILES CC1CS[C@@H](NC1C([O-])=O)c1nc(O)c([nH]c1=S)-c1ccccc1 Show InChI InChI=1S/C16H17N3O3S2/c1-8-7-24-15(19-10(8)16(21)22)12-14(23)18-11(13(20)17-12)9-5-3-2-4-6-9/h2-6,8,10,15,19H,7H2,1H3,(H,17,20)(H,18,23)(H,21,22)/p-1/t8?,10?,15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Huddersfield Curated by ChEMBL					Assay Description Binding affinity against metallo-beta-lactamase bacillus cereus(BCII)				Bioorg Med Chem Lett 14: 1737-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.047 BindingDB Entry DOI: 10.7270/Q22R3S7M
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