Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM50053183'   

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 (Bacillus licheniformis)	BDBM50053183 (CHEMBL123481 | Trifluoro-methanesulfonate1-[(E)-3-...) Show SMILES C[C@]1(\C=C\C[n+]2ccccc2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C15H16N2O5S/c1-15(6-5-9-16-7-3-2-4-8-16)13(14(19)20)17-11(18)10-12(17)23(15,21)22/h2-8,12-13H,9-10H2,1H3/p+1/b6-5+/t12-,13+,15+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Ltd Curated by ChEMBL					Assay Description Compound was tested for inhibition of Bacillus licheniformis 749/C ,class A of Beta-lactamase				J Med Chem 39: 3712-22 (1996) Article DOI: 10.1021/jm9601967 BindingDB Entry DOI: 10.7270/Q2ZK5H99
					More data for this Ligand-Target Pair
Beta-lactamase (Citrobacter freundii)	BDBM50053183 (CHEMBL123481 | Trifluoro-methanesulfonate1-[(E)-3-...) Show SMILES C[C@]1(\C=C\C[n+]2ccccc2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C15H16N2O5S/c1-15(6-5-9-16-7-3-2-4-8-16)13(14(19)20)17-11(18)10-12(17)23(15,21)22/h2-8,12-13H,9-10H2,1H3/p+1/b6-5+/t12-,13+,15+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Ltd Curated by ChEMBL					Assay Description Compound was tested for inhibition of Citrobacter freundii 1928, class C of Beta-lactamase				J Med Chem 39: 3712-22 (1996) Article DOI: 10.1021/jm9601967 BindingDB Entry DOI: 10.7270/Q2ZK5H99
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50053183 (CHEMBL123481 | Trifluoro-methanesulfonate1-[(E)-3-...) Show SMILES C[C@]1(\C=C\C[n+]2ccccc2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C15H16N2O5S/c1-15(6-5-9-16-7-3-2-4-8-16)13(14(19)20)17-11(18)10-12(17)23(15,21)22/h2-8,12-13H,9-10H2,1H3/p+1/b6-5+/t12-,13+,15+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Ltd Curated by ChEMBL					Assay Description Compound was tested for inhibition of Pseudomonas aeruginosa 18SH ,class C of Beta-lactamase				J Med Chem 39: 3712-22 (1996) Article DOI: 10.1021/jm9601967 BindingDB Entry DOI: 10.7270/Q2ZK5H99
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50053183 (CHEMBL123481 | Trifluoro-methanesulfonate1-[(E)-3-...) Show SMILES C[C@]1(\C=C\C[n+]2ccccc2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O Show InChI InChI=1S/C15H16N2O5S/c1-15(6-5-9-16-7-3-2-4-8-16)13(14(19)20)17-11(18)10-12(17)23(15,21)22/h2-8,12-13H,9-10H2,1H3/p+1/b6-5+/t12-,13+,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Ltd Curated by ChEMBL					Assay Description Compound was tested for inhibition of Escherichia coli AmpC ,class C of Beta-lactamase				J Med Chem 39: 3712-22 (1996) Article DOI: 10.1021/jm9601967 BindingDB Entry DOI: 10.7270/Q2ZK5H99
					More data for this Ligand-Target Pair