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SMILES: OCC(CC=C)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1

InChI Key: InChIKey=ZUIFBYULLQUXTF-VLCNFMPYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 178205   

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)	BDBM178205 (US9120808, Example 38 | US9120808, Example 38a) Show SMILES OCC(CC=C)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:6.14| Show InChI InChI=1S/C18H19NO5/c1-2-6-13(10-20)17-16(19-14(21)9-15(19)24-17)18(22)23-11-12-7-4-3-5-8-12/h2-5,7-8,15-16,20H,1,6,9-11H2/b17-13-/t15-,16?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.72E+3	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)	BDBM178205 (US9120808, Example 38 | US9120808, Example 38a) Show SMILES OCC(CC=C)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:6.14| Show InChI InChI=1S/C18H19NO5/c1-2-6-13(10-20)17-16(19-14(21)9-15(19)24-17)18(22)23-11-12-7-4-3-5-8-12/h2-5,7-8,15-16,20H,1,6,9-11H2/b17-13-/t15-,16?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.81E+3	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)	BDBM178205 (US9120808, Example 38 | US9120808, Example 38a) Show SMILES OCC(CC=C)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:6.14| Show InChI InChI=1S/C18H19NO5/c1-2-6-13(10-20)17-16(19-14(21)9-15(19)24-17)18(22)23-11-12-7-4-3-5-8-12/h2-5,7-8,15-16,20H,1,6,9-11H2/b17-13-/t15-,16?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.95E+3	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 (Escherichia coli)	BDBM178205 (US9120808, Example 38 | US9120808, Example 38a) Show SMILES OCC(CC=C)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:6.14| Show InChI InChI=1S/C18H19NO5/c1-2-6-13(10-20)17-16(19-14(21)9-15(19)24-17)18(22)23-11-12-7-4-3-5-8-12/h2-5,7-8,15-16,20H,1,6,9-11H2/b17-13-/t15-,16?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.22E+4	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)	BDBM178205 (US9120808, Example 38 | US9120808, Example 38a) Show SMILES OCC(CC=C)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:6.14| Show InChI InChI=1S/C18H19NO5/c1-2-6-13(10-20)17-16(19-14(21)9-15(19)24-17)18(22)23-11-12-7-4-3-5-8-12/h2-5,7-8,15-16,20H,1,6,9-11H2/b17-13-/t15-,16?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.71E+3	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)	BDBM178205 (US9120808, Example 38 | US9120808, Example 38a) Show SMILES OCC(CC=C)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:6.14| Show InChI InChI=1S/C18H19NO5/c1-2-6-13(10-20)17-16(19-14(21)9-15(19)24-17)18(22)23-11-12-7-4-3-5-8-12/h2-5,7-8,15-16,20H,1,6,9-11H2/b17-13-/t15-,16?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.02E+3	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