BDBM178197 US9120808, Example 17

SMILES: COC(=O)C1(CC=C)N2[C@@H](CC2=O)OC1=CC=O

InChI Key: InChIKey=WEJZNOFAZVDYFB-FOXUPHSNSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 178197   

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)	BDBM178197 (US9120808, Example 17) Show SMILES COC(=O)C1(CC=C)N2[C@@H](CC2=O)OC1=CC=O |w:15.17| Show InChI InChI=1S/C12H13NO5/c1-3-5-12(11(16)17-2)8(4-6-14)18-10-7-9(15)13(10)12/h3-4,6,10H,1,5,7H2,2H3/b8-4+/t10-,12?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.60E+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 TEM (Escherichia coli)	BDBM178197 (US9120808, Example 17) Show SMILES COC(=O)C1(CC=C)N2[C@@H](CC2=O)OC1=CC=O |w:15.17| Show InChI InChI=1S/C12H13NO5/c1-3-5-12(11(16)17-2)8(4-6-14)18-10-7-9(15)13(10)12/h3-4,6,10H,1,5,7H2,2H3/b8-4+/t10-,12?/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.33E+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)	BDBM178197 (US9120808, Example 17) Show SMILES COC(=O)C1(CC=C)N2[C@@H](CC2=O)OC1=CC=O |w:15.17| Show InChI InChI=1S/C12H13NO5/c1-3-5-12(11(16)17-2)8(4-6-14)18-10-7-9(15)13(10)12/h3-4,6,10H,1,5,7H2,2H3/b8-4+/t10-,12?/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.13E+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