BDBM178153 US9120808, Example 35::US9120808, Example 36

SMILES: COC(=O)C1(C\C=C\c2ccccc2)N2[C@@H](CC2=O)OC1=CC(O)=O

InChI Key: InChIKey=FJEAGJSMLOQFME-AOEGRYEOSA-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 = 178153   

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)	BDBM178153 (US9120808, Example 35 | US9120808, Example 36) Show SMILES COC(=O)C1(C\C=C\c2ccccc2)N2[C@@H](CC2=O)OC1=CC(O)=O |r,w:21.24| Show InChI InChI=1S/C18H17NO6/c1-24-17(23)18(9-5-8-12-6-3-2-4-7-12)13(10-16(21)22)25-15-11-14(20)19(15)18/h2-8,10,15H,9,11H2,1H3,(H,21,22)/b8-5+,13-10?/t15-,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	4.11E+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)	BDBM178153 (US9120808, Example 35 | US9120808, Example 36) Show SMILES COC(=O)C1(C\C=C\c2ccccc2)N2[C@@H](CC2=O)OC1=CC(O)=O |r,w:21.24| Show InChI InChI=1S/C18H17NO6/c1-24-17(23)18(9-5-8-12-6-3-2-4-7-12)13(10-16(21)22)25-15-11-14(20)19(15)18/h2-8,10,15H,9,11H2,1H3,(H,21,22)/b8-5+,13-10?/t15-,18?/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.31E+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)	BDBM178153 (US9120808, Example 35 | US9120808, Example 36) Show SMILES COC(=O)C1(C\C=C\c2ccccc2)N2[C@@H](CC2=O)OC1=CC(O)=O |r,w:21.24| Show InChI InChI=1S/C18H17NO6/c1-24-17(23)18(9-5-8-12-6-3-2-4-7-12)13(10-16(21)22)25-15-11-14(20)19(15)18/h2-8,10,15H,9,11H2,1H3,(H,21,22)/b8-5+,13-10?/t15-,18?/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	408	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)	BDBM178153 (US9120808, Example 35 | US9120808, Example 36) Show SMILES COC(=O)C1(C\C=C\c2ccccc2)N2[C@@H](CC2=O)OC1=CC(O)=O |r,w:21.24| Show InChI InChI=1S/C18H17NO6/c1-24-17(23)18(9-5-8-12-6-3-2-4-7-12)13(10-16(21)22)25-15-11-14(20)19(15)18/h2-8,10,15H,9,11H2,1H3,(H,21,22)/b8-5+,13-10?/t15-,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	4.19E+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)	BDBM178153 (US9120808, Example 35 | US9120808, Example 36) Show SMILES COC(=O)C1(C\C=C\c2ccccc2)N2[C@@H](CC2=O)OC1=CC(O)=O |r,w:21.24| Show InChI InChI=1S/C18H17NO6/c1-24-17(23)18(9-5-8-12-6-3-2-4-7-12)13(10-16(21)22)25-15-11-14(20)19(15)18/h2-8,10,15H,9,11H2,1H3,(H,21,22)/b8-5+,13-10?/t15-,18?/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	642	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)	BDBM178153 (US9120808, Example 35 | US9120808, Example 36) Show SMILES COC(=O)C1(C\C=C\c2ccccc2)N2[C@@H](CC2=O)OC1=CC(O)=O |r,w:21.24| Show InChI InChI=1S/C18H17NO6/c1-24-17(23)18(9-5-8-12-6-3-2-4-7-12)13(10-16(21)22)25-15-11-14(20)19(15)18/h2-8,10,15H,9,11H2,1H3,(H,21,22)/b8-5+,13-10?/t15-,18?/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.56E+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