Compile Data Set for Download or QSAR

Found 40 hits of ic50 for UniProtKB: P0AD63   

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 SHV-1 (Escherichia coli)	BDBM178163 (US9120808, Example 41 | US9120808, Example 42) Show SMILES ICC1CC(C(=O)O1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |r,w:4.4| Show InChI InChI=1S/C18H16INO6/c19-8-11-6-12(17(22)25-11)16-15(20-13(21)7-14(20)26-16)18(23)24-9-10-4-2-1-3-5-10/h1-5,11,14-15H,6-9H2/t11?,14-,15?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.400	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)	BDBM178167 (US9120808, Example 46 | US9120808, Example 47) Show SMILES CC1C\C(C(=O)O1)=C1/O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C18H17NO6/c1-10-7-12(17(21)24-10)16-15(19-13(20)8-14(19)25-16)18(22)23-9-11-5-3-2-4-6-11/h2-6,10,14-15H,7-9H2,1H3/b16-12+/t10?,14-,15?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	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)	BDBM178215 (US9120808, Example 58) Show SMILES OC(=O)C(CC=CCN(Cc1ccccc1)C(=O)OCc1ccccc1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:26.36,5.4| Show InChI InChI=1S/C34H32N2O8/c37-28-20-29-36(28)30(33(40)42-22-25-14-6-2-7-15-25)31(44-29)27(32(38)39)18-10-11-19-35(21-24-12-4-1-5-13-24)34(41)43-23-26-16-8-3-9-17-26/h1-17,29-30H,18-23H2,(H,38,39)/b11-10+,31-27-/t29-,30?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	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)	BDBM178163 (US9120808, Example 41 | US9120808, Example 42) Show SMILES ICC1CC(C(=O)O1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |r,w:4.4| Show InChI InChI=1S/C18H16INO6/c19-8-11-6-12(17(22)25-11)16-15(20-13(21)7-14(20)26-16)18(23)24-9-10-4-2-1-3-5-10/h1-5,11,14-15H,6-9H2/t11?,14-,15?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	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)	BDBM178170 (US9120808, Example 49) Show SMILES CC1C\C(C(=O)O1)=C1/O[C@@H]2CC(=O)N2C1C(O)=O |r| Show InChI InChI=1S/C11H11NO6/c1-4-2-5(11(16)17-4)9-8(10(14)15)12-6(13)3-7(12)18-9/h4,7-8H,2-3H2,1H3,(H,14,15)/b9-5+/t4?,7-,8?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.60	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)	BDBM178171 (US9120808, Example 50) Show SMILES CC1CC(C(=O)O1)=C1O[C@@H]2CC(=O)N2C1C(O)=O |r,w:3.3| Show InChI InChI=1S/C11H11NO6/c1-4-2-5(11(16)17-4)9-8(10(14)15)12-6(13)3-7(12)18-9/h4,7-8H,2-3H2,1H3,(H,14,15)/t4?,7-,8?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.20	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)	BDBM178167 (US9120808, Example 46 | US9120808, Example 47) Show SMILES CC1C\C(C(=O)O1)=C1/O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C18H17NO6/c1-10-7-12(17(21)24-10)16-15(19-13(20)8-14(19)25-16)18(22)23-9-11-5-3-2-4-6-11/h2-6,10,14-15H,7-9H2,1H3/b16-12+/t10?,14-,15?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.40	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)	BDBM178169 (US9120808, Example 48) Show SMILES [N-]=[N+]=NCC1C\C(C(=O)O1)=C1/O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C18H16N4O6/c19-21-20-8-11-6-12(17(24)27-11)16-15(22-13(23)7-14(22)28-16)18(25)26-9-10-4-2-1-3-5-10/h1-5,11,14-15H,6-9H2/b16-12+/t11?,14-,15?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.20	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)	BDBM178165 (US9120808, Mixture of Example 43 and Example 44) Show SMILES COC(=O)C1N2[C@@H](CC2=O)O\C1=C1/CC(CI)OC1=O |r| Show InChI InChI=1S/C12H12INO6/c1-18-12(17)9-10(20-8-3-7(15)14(8)9)6-2-5(4-13)19-11(6)16/h5,8-9H,2-4H2,1H3/b10-6+/t5?,8-,9?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.30	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)	BDBM178198 (US9120808, Example 18) Show SMILES CC(C)(C)C(=O)OCOC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=Cc1ccccc1)C=O |w:18.19,21.22| Show InChI InChI=1S/C23H25NO7/c1-23(2,3)22(28)30-14-29-21(27)19-20(31-18-12-17(26)24(18)19)16(13-25)11-7-10-15-8-5-4-6-9-15/h4-10,13,18-19H,11-12,14H2,1-3H3/b10-7+,20-16-/t18-,19?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13.9	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)	BDBM178214 (US9120808, Example 57) Show SMILES COC(=O)C1N2[C@@H](CC2=O)OC1=C(CCCc1ccccc1)C(=O)OC |w:11.12| Show InChI InChI=1S/C19H21NO6/c1-24-18(22)13(10-6-9-12-7-4-3-5-8-12)17-16(19(23)25-2)20-14(21)11-15(20)26-17/h3-5,7-8,15-16H,6,9-11H2,1-2H3/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	22.6	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)	BDBM50021959 (CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...) Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	30.3	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)	BDBM178201 (US9120808, Example 26) Show SMILES OC(=O)C(CC=Cc1ccccc1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:13.22,5.4| Show InChI InChI=1S/C24H21NO6/c26-19-14-20-25(19)21(24(29)30-15-17-10-5-2-6-11-17)22(31-20)18(23(27)28)13-7-12-16-8-3-1-4-9-16/h1-12,20-21H,13-15H2,(H,27,28)/b12-7+,22-18-/t20-,21?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	36.3	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)	BDBM60600 (US9120808, Example 13) Show SMILES COC(=O)C1N2[C@@H](CC2=O)O\C1=C(/C\C=C\c1ccccc1)C=O Show InChI InChI=1S/C18H17NO5/c1-23-18(22)16-17(24-15-10-14(21)19(15)16)13(11-20)9-5-8-12-6-3-2-4-7-12/h2-8,11,15-16H,9-10H2,1H3/b8-5+,17-13+/t15-,16?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	47.7	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)	BDBM178203 (US9120808, Example 34) Show SMILES COC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=Cc1ccccc1)C(O)=O |w:11.12,14.15| Show InChI InChI=1S/C18H17NO6/c1-24-18(23)15-16(25-14-10-13(20)19(14)15)12(17(21)22)9-5-8-11-6-3-2-4-7-11/h2-8,14-15H,9-10H2,1H3,(H,21,22)/b8-5+,16-12-/t14-,15?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	50.3	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)	BDBM178200 (US9120808, Example 24) Show SMILES OC(=O)C(CC=C)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:7.15| Show InChI InChI=1S/C18H17NO6/c1-2-6-12(17(21)22)16-15(19-13(20)9-14(19)25-16)18(23)24-10-11-7-4-3-5-8-11/h2-5,7-8,14-15H,1,6,9-10H2,(H,21,22)/b16-12-/t14-,15?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	62.2	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)	BDBM178196 (US9120808, Example 16) Show SMILES COC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=C)C=O |w:11.12| Show InChI InChI=1S/C12H13NO5/c1-3-4-7(6-14)11-10(12(16)17-2)13-8(15)5-9(13)18-11/h3,6,9-10H,1,4-5H2,2H3/b11-7-/t9-,10?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	80.5	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)	BDBM178204 (US9120808, Example 37) Show SMILES CC(C)(C)C(=O)OCOC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=Cc1ccccc1)C(O)=O |w:18.19,21.22| Show InChI InChI=1S/C23H25NO8/c1-23(2,3)22(29)31-13-30-21(28)18-19(32-17-12-16(25)24(17)18)15(20(26)27)11-7-10-14-8-5-4-6-9-14/h4-10,17-18H,11-13H2,1-3H3,(H,26,27)/b10-7+,19-15-/t17-,18?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	141	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)	BDBM178188 (US9120808, Example 7) Show SMILES OCC=CCC(C=O)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:8.16,3.3| Show InChI InChI=1S/C19H19NO6/c21-9-5-4-8-14(11-22)18-17(20-15(23)10-16(20)26-18)19(24)25-12-13-6-2-1-3-7-13/h1-7,11,16-17,21H,8-10,12H2/b5-4+,18-14-/t16-,17?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	217	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)	BDBM178210 (US9120808, Example 53) Show SMILES COC(=O)C1N2[C@@H](CC2=O)OC1=C(CCCc1ccccc1)C(O)=O |w:11.12| Show InChI InChI=1S/C18H19NO6/c1-24-18(23)15-16(25-14-10-13(20)19(14)15)12(17(21)22)9-5-8-11-6-3-2-4-7-11/h2-4,6-7,14-15H,5,8-10H2,1H3,(H,21,22)/b16-12-/t14-,15?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	219	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)	BDBM50053173 ((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...) Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	222	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				3D Structure (crystal)
Beta-lactamase SHV-1 (Escherichia coli)	BDBM178211 (US9120808, Example 54) Show SMILES CCCC(C(O)=O)=C1O[C@@H]2CC(=O)N2C1C(=O)OC |w:7.15| Show InChI InChI=1S/C12H15NO6/c1-3-4-6(11(15)16)10-9(12(17)18-2)13-7(14)5-8(13)19-10/h8-9H,3-5H2,1-2H3,(H,15,16)/b10-6-/t8-,9?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	295	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)	BDBM178202 (US9120808, Example 32) Show SMILES COC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=C)C(O)=O |w:11.12| Show InChI InChI=1S/C12H13NO6/c1-3-4-6(11(15)16)10-9(12(17)18-2)13-7(14)5-8(13)19-10/h3,8-9H,1,4-5H2,2H3,(H,15,16)/b10-6-/t8-,9?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	339	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)	BDBM178209 (US9120808, Example 51) Show SMILES CCCC(C(O)=O)=C1O[C@@H]2CC(=O)N2C1C(O)=O |w:7.15| Show InChI InChI=1S/C11H13NO6/c1-2-3-5(10(14)15)9-8(11(16)17)12-6(13)4-7(12)18-9/h7-8H,2-4H2,1H3,(H,14,15)(H,16,17)/b9-5-/t7-,8?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	436	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)	BDBM178199 (US9120808, Example 19) Show SMILES CC(C)(C)C(=O)OCOC(=O)C1(CC=Cc2ccccc2)N2[C@@H](CC2=O)OC1=CC=O |w:13.12,28.31| Show InChI InChI=1S/C23H25NO7/c1-22(2,3)20(27)29-15-30-21(28)23(12-7-10-16-8-5-4-6-9-16)17(11-13-25)31-19-14-18(26)24(19)23/h4-11,13,19H,12,14-15H2,1-3H3/b10-7+,17-11-/t19-,23?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	617	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 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 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 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 SHV-1 (Escherichia coli)	BDBM178189 (US9120808, Example 8 | US9120808, Example 9) Show SMILES OCC=CCC1(N2[C@@H](CC2=O)OC1=CC=O)C(=O)OCc1ccccc1 |w:13.15,3.3| Show InChI InChI=1S/C19H19NO6/c21-10-5-4-9-19(18(24)25-13-14-6-2-1-3-7-14)15(8-11-22)26-17-12-16(23)20(17)19/h1-8,11,17,21H,9-10,12-13H2/b5-4-,15-8-/t17-,19?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.04E+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	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 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 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 SHV-1 (Escherichia coli)	BDBM178180 (US9120808, Example 59) Show SMILES ICC1CC(CO1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |r,w:4.4,2.1| Show InChI InChI=1S/C18H18INO5/c19-8-13-6-12(10-23-13)17-16(20-14(21)7-15(20)25-17)18(22)24-9-11-4-2-1-3-5-11/h1-5,13,15-16H,6-10H2/t13?,15-,16?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.60E+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)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...) Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	3.92E+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				3D Structure (crystal)
Beta-lactamase SHV-1 (Escherichia coli)	BDBM178186 (US9120808, Example 5 | US9120808, Example 6) Show SMILES O=CC=C1O[C@@H]2CC(=O)N2C1(CC=Cc1ccccc1)C(=O)OCc1ccccc1 |w:12.13,2.1| Show InChI InChI=1S/C24H21NO5/c26-15-13-20-24(25-21(27)16-22(25)30-20,14-7-12-18-8-3-1-4-9-18)23(28)29-17-19-10-5-2-6-11-19/h1-13,15,22H,14,16-17H2/b12-7+,20-13-/t22-,24?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.95E+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 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 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 SHV-1 (Escherichia coli)	BDBM178207 (US9120808, Example 39) Show SMILES OCC(CC=Cc1ccccc1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:12.21,4.3| Show InChI InChI=1S/C24H23NO5/c26-15-19(13-7-12-17-8-3-1-4-9-17)23-22(25-20(27)14-21(25)30-23)24(28)29-16-18-10-5-2-6-11-18/h1-12,21-22,26H,13-16H2/b12-7+,23-19-/t21-,22?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.61E+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 SHV-1 (Escherichia coli)	BDBM178186 (US9120808, Example 5 | US9120808, Example 6) Show SMILES O=CC=C1O[C@@H]2CC(=O)N2C1(CC=Cc1ccccc1)C(=O)OCc1ccccc1 |w:12.13,2.1| Show InChI InChI=1S/C24H21NO5/c26-15-13-20-24(25-21(27)16-22(25)30-20,14-7-12-18-8-3-1-4-9-18)23(28)29-17-19-10-5-2-6-11-19/h1-13,15,22H,14,16-17H2/b12-7+,20-13-/t22-,24?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.14E+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 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 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 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
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 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