Compile Data Set for Download or QSAR

Found 152 hits with Last Name = 'durand-reville' and Initial = 'tf'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-lactamase TEM (Escherichia coli)	BDBM467000 (2-(((2S,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-diazabi...) Show SMILES CC1=C[C@H](N2C[C@@H]1N(OC(F)(F)C(O)=O)C2=O)C(N)=O |r,t:1| Show InChI InChI=1S/C10H11F2N3O5/c1-4-2-5(7(13)16)14-3-6(4)15(9(14)19)20-10(11,12)8(17)18/h2,5-6H,3H2,1H3,(H2,13,16)(H,17,18)/t5-,6?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50200120 (CHEMBL260091 | CHIR-090 | US10875832, Compound ChI...) Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C24H27N3O5/c1-17(28)22(24(30)26-31)25-23(29)21-10-8-19(9-11-21)3-2-18-4-6-20(7-5-18)16-27-12-14-32-15-13-27/h4-11,17,22,28,31H,12-16H2,1H3,(H,25,29)(H,26,30)/t17-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase TEM (Escherichia coli)	BDBM467003 (US10800778, Comparator 98) Show SMILES NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2O[C@H](F)C(O)=O |r| Show InChI InChI=1S/C9H12FN3O5/c10-6(8(15)16)18-13-4-1-2-5(7(11)14)12(3-4)9(13)17/h4-6H,1-3H2,(H2,11,14)(H,15,16)/t4?,5-,6-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Klebsiella pneumoniae)	BDBM467002 ((2R)-2-(((2S,5R)-2-cyano-4-methyl-7-oxo-1,6-diazab...) Show SMILES CC1=C[C@@H](C#N)N2C[C@@H]1N(O[C@H](F)C(O)=O)C2=O |r,t:1| Show InChI InChI=1S/C10H10FN3O4/c1-5-2-6(3-12)13-4-7(5)14(10(13)17)18-8(11)9(15)16/h2,6-8H,4H2,1H3,(H,15,16)/t6-,7?,8-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM466965 ((2R)-{[(2S,5R)-2-carbamoyl-3-methyl-7-oxo-1,6-diaz...) Show SMILES CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2O[C@H](F)C(O)=O |r,t:1| Show InChI InChI=1S/C10H12FN3O5/c1-4-2-5-3-13(6(4)8(12)15)10(18)14(5)19-7(11)9(16)17/h2,5-7H,3H2,1H3,(H2,12,15)(H,16,17)/t5?,6-,7-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.35	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM466967 (US10800778, Example 8 | {[(2S,5R)-2-carbamoyl-3-me...) Show SMILES CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OC(F)(F)C(O)=O |r,t:1| Show InChI InChI=1S/C10H11F2N3O5/c1-4-2-5-3-14(6(4)7(13)16)9(19)15(5)20-10(11,12)8(17)18/h2,5-6H,3H2,1H3,(H2,13,16)(H,17,18)/t5?,6-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM466971 (2-fluoro-2-(((2S,5R)-3-methyl-7-oxo-2-((pyrazin-2-...) Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCc1cnccn1)C(=O)N2OC(F)C(O)=O |r,t:1| Show InChI InChI=1S/C15H16FN5O5/c1-8-4-10-7-20(15(25)21(10)26-12(16)14(23)24)11(8)13(22)19-6-9-5-17-2-3-18-9/h2-5,10-12H,6-7H2,1H3,(H,19,22)(H,23,24)/t10?,11-,12?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM466985 ((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-(pyrazi...) Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCc1cnccn1)C(=O)N2O[C@@H](F)C(O)=O |r,t:1| Show InChI InChI=1S/C15H16FN5O5/c1-8-4-10-7-20(15(25)21(10)26-12(16)14(23)24)11(8)13(22)19-6-9-5-17-2-3-18-9/h2-5,10-12H,6-7H2,1H3,(H,19,22)(H,23,24)/t10?,11-,12+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM466999 ((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-[(sulfa...) Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCNS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1| Show InChI InChI=1S/C11H16FN5O7S/c1-5-2-6-3-16(11(21)17(6)24-8(12)10(19)20)7(5)9(18)14-4-15-25(13,22)23/h2,6-8,15H,3-4H2,1H3,(H,14,18)(H,19,20)(H2,13,22,23)/t6?,7-,8+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM466998 ((2S)-2-fluoro-2-[[(2S,5R)-2-(acetamidomethylcarbam...) Show SMILES CC(=O)NCNC(=O)[C@H]1N2C[C@@H](C=C1C)N(O[C@@H](F)C(O)=O)C2=O |r,c:12| Show InChI InChI=1S/C13H17FN4O6/c1-6-3-8-4-17(9(6)11(20)16-5-15-7(2)19)13(23)18(8)24-10(14)12(21)22/h3,8-10H,4-5H2,1-2H3,(H,15,19)(H,16,20)(H,21,22)/t8?,9-,10+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM466972 ((2R)-2-(((2S,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-di...) Show SMILES CC1=C[C@H](N2C[C@@H]1N(O[C@H](F)C(O)=O)C2=O)C(N)=O |r,t:1| Show InChI InChI=1S/C10H12FN3O5/c1-4-2-5(8(12)15)13-3-6(4)14(10(13)18)19-7(11)9(16)17/h2,5-7H,3H2,1H3,(H2,12,15)(H,16,17)/t5-,6?,7-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM466974 ((2R)-2-(((2S,5R)-2-carbamoyl-3-cyclopropyl-7-oxo-1...) Show SMILES NC(=O)[C@H]1N2C[C@@H](C=C1C1CC1)N(O[C@H](F)C(O)=O)C2=O |r,c:7| Show InChI InChI=1S/C12H14FN3O5/c13-9(11(18)19)21-16-6-3-7(5-1-2-5)8(10(14)17)15(4-6)12(16)20/h3,5-6,8-9H,1-2,4H2,(H2,14,17)(H,18,19)/t6?,8-,9-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM466979 ((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-(2-sulf...) Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCCS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1| Show InChI InChI=1S/C12H17FN4O7S/c1-6-4-7-5-16(12(21)17(7)24-9(13)11(19)20)8(6)10(18)15-2-3-25(14,22)23/h4,7-9H,2-3,5H2,1H3,(H,15,18)(H,19,20)(H2,14,22,23)/t7?,8-,9+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM466987 ((2S)-2-[[(2S,5R)-2-[(3-amino-3-oxo-propyl)carbamoy...) Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCCC(N)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1| Show InChI InChI=1S/C13H17FN4O6/c1-6-4-7-5-17(9(6)11(20)16-3-2-8(15)19)13(23)18(7)24-10(14)12(21)22/h4,7,9-10H,2-3,5H2,1H3,(H2,15,19)(H,16,20)(H,21,22)/t7?,9-,10+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM466966 (US10800778, Example 5 | {[(2S,5R)-2-carbamoyl-3-me...) Show SMILES CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OC(F)C(O)=O |r,t:1| Show InChI InChI=1S/C10H12FN3O5/c1-4-2-5-3-13(6(4)8(12)15)10(18)14(5)19-7(11)9(16)17/h2,5-7H,3H2,1H3,(H2,12,15)(H,16,17)/t5?,6-,7?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Klebsiella pneumoniae)	BDBM466975 ((2R)-2-(((2S,5R)-2-carbamoyl-3-cyclopropyl-7-oxo-1...) Show SMILES NC(=O)[C@H]1N2C[C@@H](C=C1C1CC1)N(O[C@@H](F)C(O)=O)C2=O |r,c:7| Show InChI InChI=1S/C12H14FN3O5/c13-9(11(18)19)21-16-6-3-7(5-1-2-5)8(10(14)17)15(4-6)12(16)20/h3,5-6,8-9H,1-2,4H2,(H2,14,17)(H,18,19)/t6?,8-,9+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Klebsiella pneumoniae)	BDBM466974 ((2R)-2-(((2S,5R)-2-carbamoyl-3-cyclopropyl-7-oxo-1...) Show SMILES NC(=O)[C@H]1N2C[C@@H](C=C1C1CC1)N(O[C@H](F)C(O)=O)C2=O |r,c:7| Show InChI InChI=1S/C12H14FN3O5/c13-9(11(18)19)21-16-6-3-7(5-1-2-5)8(10(14)17)15(4-6)12(16)20/h3,5-6,8-9H,1-2,4H2,(H2,14,17)(H,18,19)/t6?,8-,9-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Klebsiella pneumoniae)	BDBM466977 (2-[[(2S,5R)-2-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-3...) Show SMILES CC1=C[C@@H]2CN([C@@H]1c1nnc(o1)C(N)=O)C(=O)N2OC(F)C(O)=O |r,t:1| Show InChI InChI=1S/C12H12FN5O6/c1-4-2-5-3-17(12(22)18(5)24-7(13)11(20)21)6(4)9-15-16-10(23-9)8(14)19/h2,5-7H,3H2,1H3,(H2,14,19)(H,20,21)/t5?,6-,7?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM466983 ((2S)-2-fluoro-2-[[(2S,5R)-2-[2-(methanesulfonamido...) Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCCNS(C)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1| Show InChI InChI=1S/C13H19FN4O7S/c1-7-5-8-6-17(13(22)18(8)25-10(14)12(20)21)9(7)11(19)15-3-4-16-26(2,23)24/h5,8-10,16H,3-4,6H2,1-2H3,(H,15,19)(H,20,21)/t8?,9-,10+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM466970 (2-(((2S,5R)-2-(2-acetylhydrazinecarbonyl)-3-methyl...) Show SMILES CC(=O)NNC(=O)[C@H]1N2C[C@@H](C=C1C)N(OC(F)C(O)=O)C2=O |r,c:11| Show InChI InChI=1S/C12H15FN4O6/c1-5-3-7-4-16(8(5)10(19)15-14-6(2)18)12(22)17(7)23-9(13)11(20)21/h3,7-9H,4H2,1-2H3,(H,14,18)(H,15,19)(H,20,21)/t7?,8-,9?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM466984 ((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-2-(oxazol-2-ylm...) Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCc1ncco1)C(=O)N2O[C@@H](F)C(O)=O |r,t:1| Show InChI InChI=1S/C14H15FN4O6/c1-7-4-8-6-18(14(23)19(8)25-11(15)13(21)22)10(7)12(20)17-5-9-16-2-3-24-9/h2-4,8,10-11H,5-6H2,1H3,(H,17,20)(H,21,22)/t8?,10-,11+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM466989 ((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-[2-(5-o...) Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCC[C@@H]1CCC(=O)N1)C(=O)N2O[C@@H](F)C(O)=O |r,t:1| Show InChI InChI=1S/C16H21FN4O6/c1-8-6-10-7-20(16(26)21(10)27-13(17)15(24)25)12(8)14(23)18-5-4-9-2-3-11(22)19-9/h6,9-10,12-13H,2-5,7H2,1H3,(H,18,23)(H,19,22)(H,24,25)/t9-,10?,12-,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM466965 ((2R)-{[(2S,5R)-2-carbamoyl-3-methyl-7-oxo-1,6-diaz...) Show SMILES CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2O[C@H](F)C(O)=O |r,t:1| Show InChI InChI=1S/C10H12FN3O5/c1-4-2-5-3-13(6(4)8(12)15)10(18)14(5)19-7(11)9(16)17/h2,5-7H,3H2,1H3,(H2,12,15)(H,16,17)/t5?,6-,7-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Klebsiella pneumoniae)	BDBM466997 ((2S)-2-fluoro-2-[[(2S,5R)-2-(hydroxymethylcarbamoy...) Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCO)C(=O)N2O[C@@H](F)C(O)=O |r,t:1| Show InChI InChI=1S/C11H14FN3O6/c1-5-2-6-3-14(7(5)9(17)13-4-16)11(20)15(6)21-8(12)10(18)19/h2,6-8,16H,3-4H2,1H3,(H,13,17)(H,18,19)/t6?,7-,8+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM466967 (US10800778, Example 8 | {[(2S,5R)-2-carbamoyl-3-me...) Show SMILES CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OC(F)(F)C(O)=O |r,t:1| Show InChI InChI=1S/C10H11F2N3O5/c1-4-2-5-3-14(6(4)7(13)16)9(19)15(5)20-10(11,12)8(17)18/h2,5-6H,3H2,1H3,(H2,13,16)(H,17,18)/t5?,6-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Klebsiella pneumoniae)	BDBM466982 ((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-2-(oxetan-3-ylc...) Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NC1COC1)C(=O)N2O[C@@H](F)C(O)=O |r,t:1| Show InChI InChI=1S/C13H16FN3O6/c1-6-2-8-3-16(9(6)11(18)15-7-4-22-5-7)13(21)17(8)23-10(14)12(19)20/h2,7-10H,3-5H2,1H3,(H,15,18)(H,19,20)/t8?,9-,10+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Klebsiella pneumoniae)	BDBM466967 (US10800778, Example 8 | {[(2S,5R)-2-carbamoyl-3-me...) Show SMILES CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OC(F)(F)C(O)=O |r,t:1| Show InChI InChI=1S/C10H11F2N3O5/c1-4-2-5-3-14(6(4)7(13)16)9(19)15(5)20-10(11,12)8(17)18/h2,5-6H,3H2,1H3,(H2,13,16)(H,17,18)/t5?,6-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM466991 ((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-[2-(sul...) Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCCNS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1| Show InChI InChI=1S/C12H18FN5O7S/c1-6-4-7-5-17(12(22)18(7)25-9(13)11(20)21)8(6)10(19)15-2-3-16-26(14,23)24/h4,7-9,16H,2-3,5H2,1H3,(H,15,19)(H,20,21)(H2,14,23,24)/t7?,8-,9+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM466996 ((2S)-2-fluoro-2-[[(2S,5R)-2-(cyanomethylcarbamoyl)...) Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCC#N)C(=O)N2O[C@@H](F)C(O)=O |r,t:1| Show InChI InChI=1S/C12H13FN4O5/c1-6-4-7-5-16(8(6)10(18)15-3-2-14)12(21)17(7)22-9(13)11(19)20/h4,7-9H,3,5H2,1H3,(H,15,18)(H,19,20)/t7?,8-,9+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Klebsiella pneumoniae)	BDBM466964 ((2S)-{[(2S,5R)-2-carbamoyl-3-methyl-7-oxo-1,6-diaz...) Show SMILES CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1| Show InChI InChI=1S/C10H12FN3O5/c1-4-2-5-3-13(6(4)8(12)15)10(18)14(5)19-7(11)9(16)17/h2,5-7H,3H2,1H3,(H2,12,15)(H,16,17)/t5?,6-,7+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Klebsiella pneumoniae)	BDBM466965 ((2R)-{[(2S,5R)-2-carbamoyl-3-methyl-7-oxo-1,6-diaz...) Show SMILES CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2O[C@H](F)C(O)=O |r,t:1| Show InChI InChI=1S/C10H12FN3O5/c1-4-2-5-3-13(6(4)8(12)15)10(18)14(5)19-7(11)9(16)17/h2,5-7H,3H2,1H3,(H2,12,15)(H,16,17)/t5?,6-,7-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM466997 ((2S)-2-fluoro-2-[[(2S,5R)-2-(hydroxymethylcarbamoy...) Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCO)C(=O)N2O[C@@H](F)C(O)=O |r,t:1| Show InChI InChI=1S/C11H14FN3O6/c1-5-2-6-3-14(7(5)9(17)13-4-16)11(20)15(6)21-8(12)10(18)19/h2,6-8,16H,3-4H2,1H3,(H,13,17)(H,18,19)/t6?,7-,8+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Klebsiella pneumoniae)	BDBM466966 (US10800778, Example 5 | {[(2S,5R)-2-carbamoyl-3-me...) Show SMILES CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OC(F)C(O)=O |r,t:1| Show InChI InChI=1S/C10H12FN3O5/c1-4-2-5-3-13(6(4)8(12)15)10(18)14(5)19-7(11)9(16)17/h2,5-7H,3H2,1H3,(H2,12,15)(H,16,17)/t5?,6-,7?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Klebsiella pneumoniae)	BDBM467000 (2-(((2S,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-diazabi...) Show SMILES CC1=C[C@H](N2C[C@@H]1N(OC(F)(F)C(O)=O)C2=O)C(N)=O |r,t:1| Show InChI InChI=1S/C10H11F2N3O5/c1-4-2-5(7(13)16)14-3-6(4)15(9(14)19)20-10(11,12)8(17)18/h2,5-6H,3H2,1H3,(H2,13,16)(H,17,18)/t5-,6?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Klebsiella pneumoniae)	BDBM466970 (2-(((2S,5R)-2-(2-acetylhydrazinecarbonyl)-3-methyl...) Show SMILES CC(=O)NNC(=O)[C@H]1N2C[C@@H](C=C1C)N(OC(F)C(O)=O)C2=O |r,c:11| Show InChI InChI=1S/C12H15FN4O6/c1-5-3-7-4-16(8(5)10(19)15-14-6(2)18)12(22)17(7)23-9(13)11(20)21/h3,7-9H,4H2,1-2H3,(H,14,18)(H,15,19)(H,20,21)/t7?,8-,9?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM466964 ((2S)-{[(2S,5R)-2-carbamoyl-3-methyl-7-oxo-1,6-diaz...) Show SMILES CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1| Show InChI InChI=1S/C10H12FN3O5/c1-4-2-5-3-13(6(4)8(12)15)10(18)14(5)19-7(11)9(16)17/h2,5-7H,3H2,1H3,(H2,12,15)(H,16,17)/t5?,6-,7+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Klebsiella pneumoniae)	BDBM466973 ((2S)-2-(((2S,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-di...) Show SMILES CC1=C[C@H](N2C[C@@H]1N(O[C@@H](F)C(O)=O)C2=O)C(N)=O |r,t:1| Show InChI InChI=1S/C10H12FN3O5/c1-4-2-5(8(12)15)13-3-6(4)14(10(13)18)19-7(11)9(16)17/h2,5-7H,3H2,1H3,(H2,12,15)(H,16,17)/t5-,6?,7+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM466966 (US10800778, Example 5 | {[(2S,5R)-2-carbamoyl-3-me...) Show SMILES CC1=C[C@@H]2CN([C@@H]1C(N)=O)C(=O)N2OC(F)C(O)=O |r,t:1| Show InChI InChI=1S/C10H12FN3O5/c1-4-2-5-3-13(6(4)8(12)15)10(18)14(5)19-7(11)9(16)17/h2,5-7H,3H2,1H3,(H2,12,15)(H,16,17)/t5?,6-,7?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM466990 ((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-(3-sulf...) Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCCCS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1| Show InChI InChI=1S/C13H19FN4O7S/c1-7-5-8-6-17(13(22)18(8)25-10(14)12(20)21)9(7)11(19)16-3-2-4-26(15,23)24/h5,8-10H,2-4,6H2,1H3,(H,16,19)(H,20,21)(H2,15,23,24)/t8?,9-,10+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM466974 ((2R)-2-(((2S,5R)-2-carbamoyl-3-cyclopropyl-7-oxo-1...) Show SMILES NC(=O)[C@H]1N2C[C@@H](C=C1C1CC1)N(O[C@H](F)C(O)=O)C2=O |r,c:7| Show InChI InChI=1S/C12H14FN3O5/c13-9(11(18)19)21-16-6-3-7(5-1-2-5)8(10(14)17)15(4-6)12(16)20/h3,5-6,8-9H,1-2,4H2,(H2,14,17)(H,18,19)/t6?,8-,9-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM466977 (2-[[(2S,5R)-2-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-3...) Show SMILES CC1=C[C@@H]2CN([C@@H]1c1nnc(o1)C(N)=O)C(=O)N2OC(F)C(O)=O |r,t:1| Show InChI InChI=1S/C12H12FN5O6/c1-4-2-5-3-17(12(22)18(5)24-7(13)11(20)21)6(4)9-15-16-10(23-9)8(14)19/h2,5-7H,3H2,1H3,(H2,14,19)(H,20,21)/t5?,6-,7?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM466975 ((2R)-2-(((2S,5R)-2-carbamoyl-3-cyclopropyl-7-oxo-1...) Show SMILES NC(=O)[C@H]1N2C[C@@H](C=C1C1CC1)N(O[C@@H](F)C(O)=O)C2=O |r,c:7| Show InChI InChI=1S/C12H14FN3O5/c13-9(11(18)19)21-16-6-3-7(5-1-2-5)8(10(14)17)15(4-6)12(16)20/h3,5-6,8-9H,1-2,4H2,(H2,14,17)(H,18,19)/t6?,8-,9+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM466973 ((2S)-2-(((2S,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-di...) Show SMILES CC1=C[C@H](N2C[C@@H]1N(O[C@@H](F)C(O)=O)C2=O)C(N)=O |r,t:1| Show InChI InChI=1S/C10H12FN3O5/c1-4-2-5(8(12)15)13-3-6(4)14(10(13)18)19-7(11)9(16)17/h2,5-7H,3H2,1H3,(H2,12,15)(H,16,17)/t5-,6?,7+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM466986 ((2S)-2-[[(2S,5R)-2-(cyclopropylmethoxycarbamoyl)-3...) Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NOCC1CC1)C(=O)N2O[C@@H](F)C(O)=O |r,t:1| Show InChI InChI=1S/C14H18FN3O6/c1-7-4-9-5-17(14(22)18(9)24-11(15)13(20)21)10(7)12(19)16-23-6-8-2-3-8/h4,8-11H,2-3,5-6H2,1H3,(H,16,19)(H,20,21)/t9?,10-,11+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Klebsiella pneumoniae)	BDBM466996 ((2S)-2-fluoro-2-[[(2S,5R)-2-(cyanomethylcarbamoyl)...) Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCC#N)C(=O)N2O[C@@H](F)C(O)=O |r,t:1| Show InChI InChI=1S/C12H13FN4O5/c1-6-4-7-5-16(8(6)10(18)15-3-2-14)12(21)17(7)22-9(13)11(19)20/h4,7-9H,3,5H2,1H3,(H,15,18)(H,19,20)/t7?,8-,9+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM467004 (US10800778, Comparator 99) Show SMILES OC(=O)C(F)ON1[C@H]2CN([C@@H](CC2)C(=O)NC2CCNCC2)C1=O |r| Show InChI InChI=1S/C14H21FN4O5/c15-11(13(21)22)24-19-9-1-2-10(18(7-9)14(19)23)12(20)17-8-3-5-16-6-4-8/h8-11,16H,1-7H2,(H,17,20)(H,21,22)/t9?,10-,11?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM466999 ((2S)-2-fluoro-2-[[(2S,5R)-3-methyl-7-oxo-2-[(sulfa...) Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCNS(N)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1| Show InChI InChI=1S/C11H16FN5O7S/c1-5-2-6-3-16(11(21)17(6)24-8(12)10(19)20)7(5)9(18)14-4-15-25(13,22)23/h2,6-8,15H,3-4H2,1H3,(H,14,18)(H,19,20)(H2,13,22,23)/t6?,7-,8+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM467002 ((2R)-2-(((2S,5R)-2-cyano-4-methyl-7-oxo-1,6-diazab...) Show SMILES CC1=C[C@@H](C#N)N2C[C@@H]1N(O[C@H](F)C(O)=O)C2=O |r,t:1| Show InChI InChI=1S/C10H10FN3O4/c1-5-2-6(3-12)13-4-7(5)14(10(13)17)18-8(11)9(15)16/h2,6-8H,4H2,1H3,(H,15,16)/t6-,7?,8-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM467000 (2-(((2S,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-diazabi...) Show SMILES CC1=C[C@H](N2C[C@@H]1N(OC(F)(F)C(O)=O)C2=O)C(N)=O |r,t:1| Show InChI InChI=1S/C10H11F2N3O5/c1-4-2-5(7(13)16)14-3-6(4)15(9(14)19)20-10(11,12)8(17)18/h2,5-6H,3H2,1H3,(H2,13,16)(H,17,18)/t5-,6?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Entasis Therapeutics Limited US Patent					Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit...				US Patent US10800778 (2020) BindingDB Entry DOI: 10.7270/Q2DF6V9G
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50554708 (CHEMBL4746493) Show SMILES ON(CCc1nnn2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 152 total )  |  Next  |  Last  >>

Jump to: