BDBM178194 US9120808, Example 14::US9120808, Example 15

SMILES: COC(=O)C1(CC=Cc2ccccc2)N2[C@@H](CC2=O)OC1=CC=O

InChI Key: InChIKey=VWSIAIDFEKNQNE-SRNKDFPPSA-N

Data: 6 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 6 hits for monomerid = 178194   

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 AmpC (Escherichia coli)	BDBM178194 (US9120808, Example 14 | US9120808, Example 15) Show SMILES COC(=O)C1(CC=Cc2ccccc2)N2[C@@H](CC2=O)OC1=CC=O |w:6.5,21.24| Show InChI InChI=1S/C18H17NO5/c1-23-17(22)18(10-5-8-13-6-3-2-4-7-13)14(9-11-20)24-16-12-15(21)19(16)18/h2-9,11,16H,10,12H2,1H3/b8-5+,14-9+/t16-,18?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.37E+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 (SHV-1) (Escherichia coli)	BDBM178194 (US9120808, Example 14 | US9120808, Example 15) Show SMILES COC(=O)C1(CC=Cc2ccccc2)N2[C@@H](CC2=O)OC1=CC=O |w:6.5,21.24| Show InChI InChI=1S/C18H17NO5/c1-23-17(22)18(10-5-8-13-6-3-2-4-7-13)14(9-11-20)24-16-12-15(21)19(16)18/h2-9,11,16H,10,12H2,1H3/b8-5+,14-9+/t16-,18?/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.51E+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-1) (Escherichia coli)	BDBM178194 (US9120808, Example 14 | US9120808, Example 15) Show SMILES COC(=O)C1(CC=Cc2ccccc2)N2[C@@H](CC2=O)OC1=CC=O |w:6.5,21.24| Show InChI InChI=1S/C18H17NO5/c1-23-17(22)18(10-5-8-13-6-3-2-4-7-13)14(9-11-20)24-16-12-15(21)19(16)18/h2-9,11,16H,10,12H2,1H3/b8-5+,14-9+/t16-,18?/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.27E+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 AmpC (Escherichia coli)	BDBM178194 (US9120808, Example 14 | US9120808, Example 15) Show SMILES COC(=O)C1(CC=Cc2ccccc2)N2[C@@H](CC2=O)OC1=CC=O |w:6.5,21.24| Show InChI InChI=1S/C18H17NO5/c1-23-17(22)18(10-5-8-13-6-3-2-4-7-13)14(9-11-20)24-16-12-15(21)19(16)18/h2-9,11,16H,10,12H2,1H3/b8-5+,14-9+/t16-,18?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.60E+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 (SHV-1) (Escherichia coli)	BDBM178194 (US9120808, Example 14 | US9120808, Example 15) Show SMILES COC(=O)C1(CC=Cc2ccccc2)N2[C@@H](CC2=O)OC1=CC=O |w:6.5,21.24| Show InChI InChI=1S/C18H17NO5/c1-23-17(22)18(10-5-8-13-6-3-2-4-7-13)14(9-11-20)24-16-12-15(21)19(16)18/h2-9,11,16H,10,12H2,1H3/b8-5+,14-9+/t16-,18?/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.43E+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-1) (Escherichia coli)	BDBM178194 (US9120808, Example 14 | US9120808, Example 15) Show SMILES COC(=O)C1(CC=Cc2ccccc2)N2[C@@H](CC2=O)OC1=CC=O |w:6.5,21.24| Show InChI InChI=1S/C18H17NO5/c1-23-17(22)18(10-5-8-13-6-3-2-4-7-13)14(9-11-20)24-16-12-15(21)19(16)18/h2-9,11,16H,10,12H2,1H3/b8-5+,14-9+/t16-,18?/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.96E+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