BDBM178145 US9120808, Example 27::US9120808, Example 28

SMILES: OC(=O)C=C1O[C@@H]2CC(=O)N2C1(C\C=C\c1ccccc1)C(=O)OCc1ccccc1

InChI Key: InChIKey=TXPJIXCYUFODBL-NVXDFMSBSA-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 = 178145   

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)	BDBM178145 (US9120808, Example 27 | US9120808, Example 28) Show SMILES OC(=O)C=C1O[C@@H]2CC(=O)N2C1(C\C=C\c1ccccc1)C(=O)OCc1ccccc1 |r,w:3.2| Show InChI InChI=1S/C24H21NO6/c26-20-15-21-25(20)24(19(31-21)14-22(27)28,13-7-12-17-8-3-1-4-9-17)23(29)30-16-18-10-5-2-6-11-18/h1-12,14,21H,13,15-16H2,(H,27,28)/b12-7+,19-14?/t21-,24?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.02E+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
Beta-lactamase (SHV-1) (Escherichia coli)	BDBM178145 (US9120808, Example 27 | US9120808, Example 28) Show SMILES OC(=O)C=C1O[C@@H]2CC(=O)N2C1(C\C=C\c1ccccc1)C(=O)OCc1ccccc1 |r,w:3.2| Show InChI InChI=1S/C24H21NO6/c26-20-15-21-25(20)24(19(31-21)14-22(27)28,13-7-12-17-8-3-1-4-9-17)23(29)30-16-18-10-5-2-6-11-18/h1-12,14,21H,13,15-16H2,(H,27,28)/b12-7+,19-14?/t21-,24?/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	624	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)	BDBM178145 (US9120808, Example 27 | US9120808, Example 28) Show SMILES OC(=O)C=C1O[C@@H]2CC(=O)N2C1(C\C=C\c1ccccc1)C(=O)OCc1ccccc1 |r,w:3.2| Show InChI InChI=1S/C24H21NO6/c26-20-15-21-25(20)24(19(31-21)14-22(27)28,13-7-12-17-8-3-1-4-9-17)23(29)30-16-18-10-5-2-6-11-18/h1-12,14,21H,13,15-16H2,(H,27,28)/b12-7+,19-14?/t21-,24?/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.57E+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 AmpC (Escherichia coli)	BDBM178145 (US9120808, Example 27 | US9120808, Example 28) Show SMILES OC(=O)C=C1O[C@@H]2CC(=O)N2C1(C\C=C\c1ccccc1)C(=O)OCc1ccccc1 |r,w:3.2| Show InChI InChI=1S/C24H21NO6/c26-20-15-21-25(20)24(19(31-21)14-22(27)28,13-7-12-17-8-3-1-4-9-17)23(29)30-16-18-10-5-2-6-11-18/h1-12,14,21H,13,15-16H2,(H,27,28)/b12-7+,19-14?/t21-,24?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.17E+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)	BDBM178145 (US9120808, Example 27 | US9120808, Example 28) Show SMILES OC(=O)C=C1O[C@@H]2CC(=O)N2C1(C\C=C\c1ccccc1)C(=O)OCc1ccccc1 |r,w:3.2| Show InChI InChI=1S/C24H21NO6/c26-20-15-21-25(20)24(19(31-21)14-22(27)28,13-7-12-17-8-3-1-4-9-17)23(29)30-16-18-10-5-2-6-11-18/h1-12,14,21H,13,15-16H2,(H,27,28)/b12-7+,19-14?/t21-,24?/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.32E+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)	BDBM178145 (US9120808, Example 27 | US9120808, Example 28) Show SMILES OC(=O)C=C1O[C@@H]2CC(=O)N2C1(C\C=C\c1ccccc1)C(=O)OCc1ccccc1 |r,w:3.2| Show InChI InChI=1S/C24H21NO6/c26-20-15-21-25(20)24(19(31-21)14-22(27)28,13-7-12-17-8-3-1-4-9-17)23(29)30-16-18-10-5-2-6-11-18/h1-12,14,21H,13,15-16H2,(H,27,28)/b12-7+,19-14?/t21-,24?/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	426	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