Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-lactamase TEM' and Ligand = 'BDBM50021962'   

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 TEM (Escherichia coli)	BDBM50021962 (CHEMBL288566 | dipotassium 1-{[(3R,4S)-4-carboxyla...) Show SMILES C[C@]1(Cn2nncc2C([O-])=O)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O Show InChI InChI=1S/C12H13N3O7S/c1-12(4-15-5(10(17)18)3-13-14-15)9(11(19)20)8-6(16)2-7(8)23(12,21)22/h3,7-9H,2,4H2,1H3,(H,17,18)(H,19,20)/p-2/t7?,8?,9-,12-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Beta-lactamase from Bacillus sp. using penicillin G as substrate				J Med Chem 30: 1469-74 (1987) BindingDB Entry DOI: 10.7270/Q28G8JQ0
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