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SMILES: CCCC(C(O)=O)=C1O[C@@H]2CC(=O)N2C1C(O)=O

InChI Key: InChIKey=QAABSWVJCGWPMP-ITHRYJQJSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 178209   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-lactamase (Escherichia coli)	BDBM178209 (US9120808, Example 51) Show SMILES CCCC(C(O)=O)=C1O[C@@H]2CC(=O)N2C1C(O)=O |w:7.15| Show InChI InChI=1S/C11H13NO6/c1-2-3-5(10(14)15)9-8(11(16)17)12-6(13)4-7(12)18-9/h7-8H,2-4H2,1H3,(H,14,15)(H,16,17)/b9-5-/t7-,8?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.15E+5	n/a	n/a	n/a	n/a	7.0	37
NABRIVA THERAPEUTICS AG US Patent					Assay Description The inhibitory concentrations (IC50, [uM]) of the beta -lactamase inhibitors against purified TEM-1, SHV-1 and AmpC beta -lactamases are assessed by ...				US Patent US9120808 (2015) BindingDB Entry DOI: 10.7270/Q2Q81BT5
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM178209 (US9120808, Example 51) Show SMILES CCCC(C(O)=O)=C1O[C@@H]2CC(=O)N2C1C(O)=O |w:7.15| Show InChI InChI=1S/C11H13NO6/c1-2-3-5(10(14)15)9-8(11(16)17)12-6(13)4-7(12)18-9/h7-8H,2-4H2,1H3,(H,14,15)(H,16,17)/b9-5-/t7-,8?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	254	n/a	n/a	n/a	n/a	7.0	37
NABRIVA THERAPEUTICS AG US Patent					Assay Description The inhibitory concentrations (IC50, [uM]) of the beta -lactamase inhibitors against purified TEM-1, SHV-1 and AmpC beta -lactamases are assessed by ...				US Patent US9120808 (2015) BindingDB Entry DOI: 10.7270/Q2Q81BT5
					More data for this Ligand-Target Pair
Beta-lactamase SHV-1 (Escherichia coli)	BDBM178209 (US9120808, Example 51) Show SMILES CCCC(C(O)=O)=C1O[C@@H]2CC(=O)N2C1C(O)=O |w:7.15| Show InChI InChI=1S/C11H13NO6/c1-2-3-5(10(14)15)9-8(11(16)17)12-6(13)4-7(12)18-9/h7-8H,2-4H2,1H3,(H,14,15)(H,16,17)/b9-5-/t7-,8?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	436	n/a	n/a	n/a	n/a	7.0	37
NABRIVA THERAPEUTICS AG US Patent					Assay Description The inhibitory concentrations (IC50, [uM]) of the beta -lactamase inhibitors against purified TEM-1, SHV-1 and AmpC beta -lactamases are assessed by ...				US Patent US9120808 (2015) BindingDB Entry DOI: 10.7270/Q2Q81BT5
					More data for this Ligand-Target Pair