Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM50067063'   

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 (Pseudomonas aeruginosa (PAO1))	BDBM50067063 (CHEMBL339600 | Sodium; (1S,5R)-2-(4-carbamoyl-phen...) Show SMILES NC(=O)c1ccc(NC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)cc1 Show InChI InChI=1S/C13H14N4O6S/c14-11(18)7-1-3-8(4-2-7)15-13(20)16-6-5-9-10(16)12(19)17(9)24(21,22)23/h1-4,9-10H,5-6H2,(H2,14,18)(H,15,20)(H,21,22,23)/p-1/t9-,10+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	217	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of P. aeruginosa 18SH Beta-lactamase.				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50067063 (CHEMBL339600 | Sodium; (1S,5R)-2-(4-carbamoyl-phen...) Show SMILES NC(=O)c1ccc(NC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)cc1 Show InChI InChI=1S/C13H14N4O6S/c14-11(18)7-1-3-8(4-2-7)15-13(20)16-6-5-9-10(16)12(19)17(9)24(21,22)23/h1-4,9-10H,5-6H2,(H2,14,18)(H,15,20)(H,21,22,23)/p-1/t9-,10+/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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair