Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM50099188'   

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)	BDBM50099188 ((2S,5S)-3,3-Dimethyl-4,4,7-trioxo-6-((E)-4-oxo-pen...) Show SMILES CC(=O)CC=CC1[C@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O |w:4.3| Show InChI InChI=1S/C13H17NO6S/c1-7(15)5-4-6-8-10(16)14-9(12(17)18)13(2,3)21(19,20)11(8)14/h4,6,8-9,11H,5H2,1-3H3,(H,17,18)/t8?,9-,11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration against AmpC enzyme				Bioorg Med Chem Lett 11: 997-1000 (2001) BindingDB Entry DOI: 10.7270/Q2W958G8
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