Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM98851'   

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)	BDBM98851 (US8487093, 270) Show SMILES CC(=O)Oc1ccc(cc1OC(C)=O)C(=O)NCC(CNC(=O)c1ccc(OC(C)=O)c(OC(C)=O)c1)OC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2S(O)(=O)=O |r| Show InChI InChI=1S/C32H34N4O16S/c1-16(37)48-25-9-5-20(11-27(25)50-18(3)39)29(41)33-13-23(52-31(43)24-8-7-22-15-35(24)32(44)36(22)53(45,46)47)14-34-30(42)21-6-10-26(49-17(2)38)28(12-21)51-19(4)40/h5-6,9-12,22-24H,7-8,13-15H2,1-4H3,(H,33,41)(H,34,42)(H,45,46,47)/t22-,24+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	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)	BDBM98851 (US8487093, 270) Show SMILES CC(=O)Oc1ccc(cc1OC(C)=O)C(=O)NCC(CNC(=O)c1ccc(OC(C)=O)c(OC(C)=O)c1)OC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2S(O)(=O)=O |r| Show InChI InChI=1S/C32H34N4O16S/c1-16(37)48-25-9-5-20(11-27(25)50-18(3)39)29(41)33-13-23(52-31(43)24-8-7-22-15-35(24)32(44)36(22)53(45,46)47)14-34-30(42)21-6-10-26(49-17(2)38)28(12-21)51-19(4)40/h5-6,9-12,22-24H,7-8,13-15H2,1-4H3,(H,33,41)(H,34,42)(H,45,46,47)/t22-,24+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	61	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