Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM466986'   

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 (Klebsiella pneumoniae)	BDBM466986 ((2S)-2-[[(2S,5R)-2-(cyclopropylmethoxycarbamoyl)-3...) Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NOCC1CC1)C(=O)N2O[C@@H](F)C(O)=O |r,t:1| Show InChI InChI=1S/C14H18FN3O6/c1-7-4-9-5-17(14(22)18(9)24-11(15)13(20)21)10(7)12(19)16-23-6-8-2-3-8/h4,8-11H,2-3,5-6H2,1H3,(H,16,19)(H,20,21)/t9?,10-,11+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM466986 ((2S)-2-[[(2S,5R)-2-(cyclopropylmethoxycarbamoyl)-3...) Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NOCC1CC1)C(=O)N2O[C@@H](F)C(O)=O |r,t:1| Show InChI InChI=1S/C14H18FN3O6/c1-7-4-9-5-17(14(22)18(9)24-11(15)13(20)21)10(7)12(19)16-23-6-8-2-3-8/h4,8-11H,2-3,5-6H2,1H3,(H,16,19)(H,20,21)/t9?,10-,11+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair