Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM98845'   

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)	BDBM98845 (US8487093, 262) Show SMILES CC1(COC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)CCNCC1 |r| Show InChI InChI=1S/C14H23N3O7S/c1-14(4-6-15-7-5-14)9-23-12(18)11-3-2-10-8-16(11)13(19)17(10)24-25(20,21)22/h10-11,15H,2-9H2,1H3,(H,20,21,22)/t10-,11+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.				US Patent US8487093 (2013) BindingDB Entry DOI: 10.7270/Q2057DKK
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM98845 (US8487093, 262) Show SMILES CC1(COC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)CCNCC1 |r| Show InChI InChI=1S/C14H23N3O7S/c1-14(4-6-15-7-5-14)9-23-12(18)11-3-2-10-8-16(11)13(19)17(10)24-25(20,21)22/h10-11,15H,2-9H2,1H3,(H,20,21,22)/t10-,11+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.				US Patent US8487093 (2013) BindingDB Entry DOI: 10.7270/Q2057DKK
					More data for this Ligand-Target Pair