Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM50053179'   

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 (Citrobacter freundii)	BDBM50053179 (CHEMBL121924 | Sodium; (2S,3S,5R)-3-methyl-4,4,7-t...) Show SMILES C[C@]1(\C=C/c2ccccn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O Show InChI InChI=1S/C14H14N2O5S/c1-14(6-5-9-4-2-3-7-15-9)12(13(18)19)16-10(17)8-11(16)22(14,20)21/h2-7,11-12H,8H2,1H3,(H,18,19)/p-1/b6-5-/t11-,12+,14+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+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 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 (Bacillus licheniformis)	BDBM50053179 (CHEMBL121924 | Sodium; (2S,3S,5R)-3-methyl-4,4,7-t...) Show SMILES C[C@]1(\C=C/c2ccccn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O Show InChI InChI=1S/C14H14N2O5S/c1-14(6-5-9-4-2-3-7-15-9)12(13(18)19)16-10(17)8-11(16)22(14,20)21/h2-7,11-12H,8H2,1H3,(H,18,19)/p-1/b6-5-/t11-,12+,14+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+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 (Pseudomonas aeruginosa (PAO1))	BDBM50053179 (CHEMBL121924 | Sodium; (2S,3S,5R)-3-methyl-4,4,7-t...) Show SMILES C[C@]1(\C=C/c2ccccn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O Show InChI InChI=1S/C14H14N2O5S/c1-14(6-5-9-4-2-3-7-15-9)12(13(18)19)16-10(17)8-11(16)22(14,20)21/h2-7,11-12H,8H2,1H3,(H,18,19)/p-1/b6-5-/t11-,12+,14+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+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)	BDBM50053179 (CHEMBL121924 | Sodium; (2S,3S,5R)-3-methyl-4,4,7-t...) Show SMILES C[C@]1(\C=C/c2ccccn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O Show InChI InChI=1S/C14H14N2O5S/c1-14(6-5-9-4-2-3-7-15-9)12(13(18)19)16-10(17)8-11(16)22(14,20)21/h2-7,11-12H,8H2,1H3,(H,18,19)/p-1/b6-5-/t11-,12+,14+/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	4.60E+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 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