Compile Data Set for Download or QSAR

Found 61 hits with Last Name = 'painter' and Initial = 're'   

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
DNA-directed RNA polymerase subunit beta (Escherichia coli)	BDBM50391000 (CB-01-11 | RIFAMYCIN) Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)cc(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:23,t:3,25| Show InChI InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	37
Merck & Co., Inc.					Assay Description Fluorescence-detected RNAP inhibition assays in Tables 1 and 4 were performed using a DNA fragment containing the lacUV5 promoter as a template and t...				ACS Chem Biol 12: 1346-1352 (2017) Article DOI: 10.1021/acschembio.6b01133 BindingDB Entry DOI: 10.7270/Q2VM4B41
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit beta (Escherichia coli)	BDBM50391000 (CB-01-11 | RIFAMYCIN) Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)cc(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:23,t:3,25| Show InChI InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	37
Merck & Co., Inc.					Assay Description Fluorescence-detected RNAP inhibition assays in Tables 1 and 4 were performed using a DNA fragment containing the lacUV5 promoter as a template and t...				ACS Chem Biol 12: 1346-1352 (2017) Article DOI: 10.1021/acschembio.6b01133 BindingDB Entry DOI: 10.7270/Q2VM4B41
					More data for this Ligand-Target Pair
Oxa40 (Acinetobacter baumannii)	BDBM98796 (US8487093, 184) Show SMILES Nc1cccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)n1 |r| Show InChI InChI=1S/C12H15N5O6S/c13-9-2-1-3-10(14-9)15-11(18)8-5-4-7-6-16(8)12(19)17(7)23-24(20,21)22/h1-3,7-8H,4-6H2,(H,20,21,22)(H3,13,14,15,18)/t7-,8+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of beta-lactamase Oxa40 in Acinetobacter baumannii assessed as inhibition of hydrolysis of nitrocefin				Bioorg Med Chem Lett 24: 780-5 (2014) Article DOI: 10.1016/j.bmcl.2013.12.101 BindingDB Entry DOI: 10.7270/Q2HD7X41
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50309906 ((1S,5R)-2-(cycloheptylcarbamoyl)-7-oxo-2,6-diazabi...) Show SMILES OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCCCCC1 |r| Show InChI InChI=1S/C13H21N3O5S/c17-12-11-10(16(12)22(19,20)21)7-8-15(11)13(18)14-9-5-3-1-2-4-6-9/h9-11H,1-8H2,(H,14,18)(H,19,20,21)/t10-,11+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa beta lactamase AmpC by spectrophotometry				Bioorg Med Chem Lett 20: 918-21 (2010) Article DOI: 10.1016/j.bmcl.2009.12.069 BindingDB Entry DOI: 10.7270/Q2KW5G5S
					More data for this Ligand-Target Pair
Oxa40 (Acinetobacter baumannii)	BDBM98792 (US8487093, 180) Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2ccccn2)C1=O |r| Show InChI InChI=1S/C12H14N4O6S/c17-11(14-10-3-1-2-6-13-10)9-5-4-8-7-15(9)12(18)16(8)22-23(19,20)21/h1-3,6,8-9H,4-5,7H2,(H,13,14,17)(H,19,20,21)/t8-,9+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of beta-lactamase Oxa40 in Acinetobacter baumannii assessed as inhibition of hydrolysis of nitrocefin				Bioorg Med Chem Lett 24: 780-5 (2014) Article DOI: 10.1016/j.bmcl.2013.12.101 BindingDB Entry DOI: 10.7270/Q2HD7X41
					More data for this Ligand-Target Pair
Beta-lactamase SHV-5 (Klebsiella pneumoniae)	BDBM50315411 (4,7-Dichloro-1-benzothien-2-yl sulfonylaminomethyl...) Show SMILES OB(O)CNS(=O)(=O)c1cc2c(Cl)ccc(Cl)c2s1 Show InChI InChI=1S/C9H8BCl2NO4S2/c11-6-1-2-7(12)9-5(6)3-8(18-9)19(16,17)13-4-10(14)15/h1-3,13-15H,4H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of Klebsiella pneumoniae beta-lactamase SHV5				Bioorg Med Chem Lett 20: 2622-4 (2010) Article DOI: 10.1016/j.bmcl.2010.02.065 BindingDB Entry DOI: 10.7270/Q2ZS2WN8
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50348181 (CHEMBL1800870) Show SMILES NCC[NH+]1CCC[C@@H](CC1)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O |r| Show InChI InChI=1S/C14H25N5O5S/c15-5-9-17-6-1-2-10(3-7-17)16-14(21)18-8-4-11-12(18)13(20)19(11)25(22,23)24/h10-12H,1-9,15H2,(H,16,21)(H,22,23,24)/t10-,11+,12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa CL5701 AmpC by spectrophotometric assay				Bioorg Med Chem Lett 21: 4267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.05.065 BindingDB Entry DOI: 10.7270/Q2WW7J1C
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50309903 ((1S,5R)-2-((R)-1,4-oxazepan-6-ylcarbamoyl)-7-oxo-2...) Show SMILES OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@@H]1CNCCOC1 |r| Show InChI InChI=1S/C11H18N4O6S/c16-10-9-8(15(10)22(18,19)20)1-3-14(9)11(17)13-7-5-12-2-4-21-6-7/h7-9,12H,1-6H2,(H,13,17)(H,18,19,20)/t7-,8-,9+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa beta lactamase AmpC by spectrophotometry				Bioorg Med Chem Lett 20: 918-21 (2010) Article DOI: 10.1016/j.bmcl.2009.12.069 BindingDB Entry DOI: 10.7270/Q2KW5G5S
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50315411 (4,7-Dichloro-1-benzothien-2-yl sulfonylaminomethyl...) Show SMILES OB(O)CNS(=O)(=O)c1cc2c(Cl)ccc(Cl)c2s1 Show InChI InChI=1S/C9H8BCl2NO4S2/c11-6-1-2-7(12)9-5(6)3-8(18-9)19(16,17)13-4-10(14)15/h1-3,13-15H,4H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of Enterobacter colacae P99 Beta-lactamase				Bioorg Med Chem Lett 20: 2622-4 (2010) Article DOI: 10.1016/j.bmcl.2010.02.065 BindingDB Entry DOI: 10.7270/Q2ZS2WN8
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50309905 ((1S,5R)-7-oxo-2-((S)-2-oxoazepan-3-ylcarbamoyl)-2,...) Show SMILES OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@H]1CCCCNC1=O |r| Show InChI InChI=1S/C12H18N4O6S/c17-10-7(3-1-2-5-13-10)14-12(19)15-6-4-8-9(15)11(18)16(8)23(20,21)22/h7-9H,1-6H2,(H,13,17)(H,14,19)(H,20,21,22)/t7-,8+,9-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa beta lactamase AmpC by spectrophotometry				Bioorg Med Chem Lett 20: 918-21 (2010) Article DOI: 10.1016/j.bmcl.2009.12.069 BindingDB Entry DOI: 10.7270/Q2KW5G5S
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50348182 (CHEMBL1800871) Show SMILES CN(C)CC[NH+]1CCC[C@@H](CC1)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O |r| Show InChI InChI=1S/C16H29N5O5S/c1-18(2)10-11-19-7-3-4-12(5-8-19)17-16(23)20-9-6-13-14(20)15(22)21(13)27(24,25)26/h12-14H,3-11H2,1-2H3,(H,17,23)(H,24,25,26)/t12-,13+,14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa CL5701 AmpC by spectrophotometric assay				Bioorg Med Chem Lett 21: 4267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.05.065 BindingDB Entry DOI: 10.7270/Q2WW7J1C
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50348179 (CHEMBL1800868) Show SMILES OCC[NH+]1CCC[C@@H](CC1)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O |r| Show InChI InChI=1S/C14H24N4O6S/c19-9-8-16-5-1-2-10(3-6-16)15-14(21)17-7-4-11-12(17)13(20)18(11)25(22,23)24/h10-12,19H,1-9H2,(H,15,21)(H,22,23,24)/t10-,11+,12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa CL5701 AmpC by spectrophotometric assay				Bioorg Med Chem Lett 21: 4267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.05.065 BindingDB Entry DOI: 10.7270/Q2WW7J1C
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50309899 ((1S,5R)-2-((S)-azepan-4-ylcarbamoyl)-7-oxo-2,6-dia...) Show SMILES OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@H]1CCCNCC1 |r| Show InChI InChI=1S/C12H20N4O5S/c17-11-10-9(16(11)22(19,20)21)4-7-15(10)12(18)14-8-2-1-5-13-6-3-8/h8-10,13H,1-7H2,(H,14,18)(H,19,20,21)/t8-,9+,10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa beta lactamase AmpC by spectrophotometry				Bioorg Med Chem Lett 20: 918-21 (2010) Article DOI: 10.1016/j.bmcl.2009.12.069 BindingDB Entry DOI: 10.7270/Q2KW5G5S
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50309899 ((1S,5R)-2-((S)-azepan-4-ylcarbamoyl)-7-oxo-2,6-dia...) Show SMILES OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@H]1CCCNCC1 |r| Show InChI InChI=1S/C12H20N4O5S/c17-11-10-9(16(11)22(19,20)21)4-7-15(10)12(18)14-8-2-1-5-13-6-3-8/h8-10,13H,1-7H2,(H,14,18)(H,19,20,21)/t8-,9+,10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa CL5701 AmpC by spectrophotometric assay				Bioorg Med Chem Lett 21: 4267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.05.065 BindingDB Entry DOI: 10.7270/Q2WW7J1C
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50309904 ((1S,5R)-2-((S)-1,4-oxazepan-6-ylcarbamoyl)-7-oxo-2...) Show SMILES OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@H]1CNCCOC1 |r| Show InChI InChI=1S/C11H18N4O6S/c16-10-9-8(15(10)22(18,19)20)1-3-14(9)11(17)13-7-5-12-2-4-21-6-7/h7-9,12H,1-6H2,(H,13,17)(H,18,19,20)/t7-,8+,9-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa beta lactamase AmpC by spectrophotometry				Bioorg Med Chem Lett 20: 918-21 (2010) Article DOI: 10.1016/j.bmcl.2009.12.069 BindingDB Entry DOI: 10.7270/Q2KW5G5S
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50348180 (CHEMBL1800869) Show SMILES OCCC[NH+]1CCC[C@@H](CC1)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O |r| Show InChI InChI=1S/C15H26N4O6S/c20-10-2-7-17-6-1-3-11(4-8-17)16-15(22)18-9-5-12-13(18)14(21)19(12)26(23,24)25/h11-13,20H,1-10H2,(H,16,22)(H,23,24,25)/t11-,12+,13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa CL5701 AmpC by spectrophotometric assay				Bioorg Med Chem Lett 21: 4267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.05.065 BindingDB Entry DOI: 10.7270/Q2WW7J1C
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50315411 (4,7-Dichloro-1-benzothien-2-yl sulfonylaminomethyl...) Show SMILES OB(O)CNS(=O)(=O)c1cc2c(Cl)ccc(Cl)c2s1 Show InChI InChI=1S/C9H8BCl2NO4S2/c11-6-1-2-7(12)9-5(6)3-8(18-9)19(16,17)13-4-10(14)15/h1-3,13-15H,4H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa beta-lactamase AmpC				Bioorg Med Chem Lett 20: 2622-4 (2010) Article DOI: 10.1016/j.bmcl.2010.02.065 BindingDB Entry DOI: 10.7270/Q2ZS2WN8
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50309908 ((1S,5R)-2-(azocan-4-ylcarbamoyl)-7-oxo-2,6-diazabi...) Show SMILES OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCCCNCC1 |r| Show InChI InChI=1S/C13H22N4O5S/c18-12-11-10(17(12)23(20,21)22)5-8-16(11)13(19)15-9-3-1-2-6-14-7-4-9/h9-11,14H,1-8H2,(H,15,19)(H,20,21,22)/t9?,10-,11+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa beta lactamase AmpC by spectrophotometry				Bioorg Med Chem Lett 20: 918-21 (2010) Article DOI: 10.1016/j.bmcl.2009.12.069 BindingDB Entry DOI: 10.7270/Q2KW5G5S
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50309908 ((1S,5R)-2-(azocan-4-ylcarbamoyl)-7-oxo-2,6-diazabi...) Show SMILES OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCCCNCC1 |r| Show InChI InChI=1S/C13H22N4O5S/c18-12-11-10(17(12)23(20,21)22)5-8-16(11)13(19)15-9-3-1-2-6-14-7-4-9/h9-11,14H,1-8H2,(H,15,19)(H,20,21,22)/t9?,10-,11+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa beta lactamase AmpC by spectrophotometry				Bioorg Med Chem Lett 20: 918-21 (2010) Article DOI: 10.1016/j.bmcl.2009.12.069 BindingDB Entry DOI: 10.7270/Q2KW5G5S
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50348178 (CHEMBL1800867) Show SMILES C[N+]1(C)CCC[C@@H](CC1)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O |r| Show InChI InChI=1S/C14H24N4O5S/c1-18(2)8-3-4-10(6-9-18)15-14(20)16-7-5-11-12(16)13(19)17(11)24(21,22)23/h10-12H,3-9H2,1-2H3,(H-,15,20,21,22,23)/t10-,11+,12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa CL5701 AmpC by spectrophotometric assay				Bioorg Med Chem Lett 21: 4267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.05.065 BindingDB Entry DOI: 10.7270/Q2WW7J1C
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50348187 (CHEMBL1800876) Show SMILES CN(C)CCCCNC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r| Show InChI InChI=1S/C12H22N4O5S/c1-14(2)7-4-3-6-13-12(18)15-8-5-9-10(15)11(17)16(9)22(19,20)21/h9-10H,3-8H2,1-2H3,(H,13,18)(H,19,20,21)/t9-,10+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa CL5701 AmpC by spectrophotometric assay				Bioorg Med Chem Lett 21: 4267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.05.065 BindingDB Entry DOI: 10.7270/Q2WW7J1C
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50348185 (CHEMBL1800874) Show SMILES CC(C)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r| Show InChI InChI=1S/C9H15N3O5S/c1-5(2)10-9(14)11-4-3-6-7(11)8(13)12(6)18(15,16)17/h5-7H,3-4H2,1-2H3,(H,10,14)(H,15,16,17)/t6-,7+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa CL5701 AmpC by spectrophotometric assay				Bioorg Med Chem Lett 21: 4267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.05.065 BindingDB Entry DOI: 10.7270/Q2WW7J1C
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50309901 ((1S,5R)-2-((S)-azepan-3-ylcarbamoyl)-7-oxo-2,6-dia...) Show SMILES OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@H]1CCCCNC1 |r| Show InChI InChI=1S/C12H20N4O5S/c17-11-10-9(16(11)22(19,20)21)4-6-15(10)12(18)14-8-3-1-2-5-13-7-8/h8-10,13H,1-7H2,(H,14,18)(H,19,20,21)/t8-,9+,10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa beta lactamase AmpC by spectrophotometry				Bioorg Med Chem Lett 20: 918-21 (2010) Article DOI: 10.1016/j.bmcl.2009.12.069 BindingDB Entry DOI: 10.7270/Q2KW5G5S
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50348188 (CHEMBL1800877) Show SMILES CN(C)CCCCCNC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r| Show InChI InChI=1S/C13H24N4O5S/c1-15(2)8-5-3-4-7-14-13(19)16-9-6-10-11(16)12(18)17(10)23(20,21)22/h10-11H,3-9H2,1-2H3,(H,14,19)(H,20,21,22)/t10-,11+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa CL5701 AmpC by spectrophotometric assay				Bioorg Med Chem Lett 21: 4267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.05.065 BindingDB Entry DOI: 10.7270/Q2WW7J1C
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit beta (Escherichia coli)	BDBM228835 (MRL-436) Show SMILES CC(C)Cc1nnc2c(cccn12)C(=O)NC1c2ccccc2-c2ccccc12 Show InChI InChI=1S/C24H22N4O/c1-15(2)14-21-26-27-23-20(12-7-13-28(21)23)24(29)25-22-18-10-5-3-8-16(18)17-9-4-6-11-19(17)22/h3-13,15,22H,14H2,1-2H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	37
Merck & Co., Inc.					Assay Description Fluorescence-detected RNAP inhibition assays in Tables 1 and 4 were performed using a DNA fragment containing the lacUV5 promoter as a template and t...				ACS Chem Biol 12: 1346-1352 (2017) Article DOI: 10.1021/acschembio.6b01133 BindingDB Entry DOI: 10.7270/Q2VM4B41
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50348186 (CHEMBL1800875) Show SMILES CN(C)CCCNC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r| Show InChI InChI=1S/C11H20N4O5S/c1-13(2)6-3-5-12-11(17)14-7-4-8-9(14)10(16)15(8)21(18,19)20/h8-9H,3-7H2,1-2H3,(H,12,17)(H,18,19,20)/t8-,9+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa CL5701 AmpC by spectrophotometric assay				Bioorg Med Chem Lett 21: 4267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.05.065 BindingDB Entry DOI: 10.7270/Q2WW7J1C
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50348177 (CHEMBL1800866) Show SMILES C[NH+]1CCC[C@@H](CC1)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O |r| Show InChI InChI=1S/C13H22N4O5S/c1-15-6-2-3-9(4-7-15)14-13(19)16-8-5-10-11(16)12(18)17(10)23(20,21)22/h9-11H,2-8H2,1H3,(H,14,19)(H,20,21,22)/t9-,10+,11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa CL5701 AmpC by spectrophotometric assay				Bioorg Med Chem Lett 21: 4267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.05.065 BindingDB Entry DOI: 10.7270/Q2WW7J1C
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit beta [H526D] (Escherichia coli)	BDBM228835 (MRL-436) Show SMILES CC(C)Cc1nnc2c(cccn12)C(=O)NC1c2ccccc2-c2ccccc12 Show InChI InChI=1S/C24H22N4O/c1-15(2)14-21-26-27-23-20(12-7-13-28(21)23)24(29)25-22-18-10-5-3-8-16(18)17-9-4-6-11-19(17)22/h3-13,15,22H,14H2,1-2H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	37
Merck & Co., Inc.					Assay Description Fluorescence-detected RNAP inhibition assays in Tables 1 and 4 were performed using a DNA fragment containing the lacUV5 promoter as a template and t...				ACS Chem Biol 12: 1346-1352 (2017) Article DOI: 10.1021/acschembio.6b01133 BindingDB Entry DOI: 10.7270/Q2VM4B41
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit beta (Escherichia coli)	BDBM228835 (MRL-436) Show SMILES CC(C)Cc1nnc2c(cccn12)C(=O)NC1c2ccccc2-c2ccccc12 Show InChI InChI=1S/C24H22N4O/c1-15(2)14-21-26-27-23-20(12-7-13-28(21)23)24(29)25-22-18-10-5-3-8-16(18)17-9-4-6-11-19(17)22/h3-13,15,22H,14H2,1-2H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	37
Merck & Co., Inc.					Assay Description Fluorescence-detected RNAP inhibition assays in Tables 1 and 4 were performed using a DNA fragment containing the lacUV5 promoter as a template and t...				ACS Chem Biol 12: 1346-1352 (2017) Article DOI: 10.1021/acschembio.6b01133 BindingDB Entry DOI: 10.7270/Q2VM4B41
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50309907 ((1S,5R)-2-(azocan-5-ylcarbamoyl)-7-oxo-2,6-diazabi...) Show SMILES OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCCNCCC1 |r| Show InChI InChI=1S/C13H22N4O5S/c18-12-11-10(17(12)23(20,21)22)5-8-16(11)13(19)15-9-3-1-6-14-7-2-4-9/h9-11,14H,1-8H2,(H,15,19)(H,20,21,22)/t10-,11+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa beta lactamase AmpC by spectrophotometry				Bioorg Med Chem Lett 20: 918-21 (2010) Article DOI: 10.1016/j.bmcl.2009.12.069 BindingDB Entry DOI: 10.7270/Q2KW5G5S
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50348190 (CHEMBL1800183) Show SMILES CNCCCCNC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r| Show InChI InChI=1S/C11H20N4O5S/c1-12-5-2-3-6-13-11(17)14-7-4-8-9(14)10(16)15(8)21(18,19)20/h8-9,12H,2-7H2,1H3,(H,13,17)(H,18,19,20)/t8-,9+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa CL5701 AmpC by spectrophotometric assay				Bioorg Med Chem Lett 21: 4267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.05.065 BindingDB Entry DOI: 10.7270/Q2WW7J1C
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50309909 ((1S,5R)-2-(azonan-5-ylcarbamoyl)-7-oxo-2,6-diazabi...) Show SMILES OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCCCNCCC1 |r| Show InChI InChI=1S/C14H24N4O5S/c19-13-12-11(18(13)24(21,22)23)6-9-17(12)14(20)16-10-4-1-2-7-15-8-3-5-10/h10-12,15H,1-9H2,(H,16,20)(H,21,22,23)/t10?,11-,12+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa beta lactamase AmpC by spectrophotometry				Bioorg Med Chem Lett 20: 918-21 (2010) Article DOI: 10.1016/j.bmcl.2009.12.069 BindingDB Entry DOI: 10.7270/Q2KW5G5S
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50309909 ((1S,5R)-2-(azonan-5-ylcarbamoyl)-7-oxo-2,6-diazabi...) Show SMILES OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCCCNCCC1 |r| Show InChI InChI=1S/C14H24N4O5S/c19-13-12-11(18(13)24(21,22)23)6-9-17(12)14(20)16-10-4-1-2-7-15-8-3-5-10/h10-12,15H,1-9H2,(H,16,20)(H,21,22,23)/t10?,11-,12+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa beta lactamase AmpC by spectrophotometry				Bioorg Med Chem Lett 20: 918-21 (2010) Article DOI: 10.1016/j.bmcl.2009.12.069 BindingDB Entry DOI: 10.7270/Q2KW5G5S
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50309900 ((1S,5R)-2-((R)-azepan-4-ylcarbamoyl)-7-oxo-2,6-dia...) Show SMILES OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@@H]1CCCNCC1 |r| Show InChI InChI=1S/C12H20N4O5S/c17-11-10-9(16(11)22(19,20)21)4-7-15(10)12(18)14-8-2-1-5-13-6-3-8/h8-10,13H,1-7H2,(H,14,18)(H,19,20,21)/t8-,9-,10+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa beta lactamase AmpC by spectrophotometry				Bioorg Med Chem Lett 20: 918-21 (2010) Article DOI: 10.1016/j.bmcl.2009.12.069 BindingDB Entry DOI: 10.7270/Q2KW5G5S
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit beta [S531L] (Escherichia coli)	BDBM228835 (MRL-436) Show SMILES CC(C)Cc1nnc2c(cccn12)C(=O)NC1c2ccccc2-c2ccccc12 Show InChI InChI=1S/C24H22N4O/c1-15(2)14-21-26-27-23-20(12-7-13-28(21)23)24(29)25-22-18-10-5-3-8-16(18)17-9-4-6-11-19(17)22/h3-13,15,22H,14H2,1-2H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	37
Merck & Co., Inc.					Assay Description Fluorescence-detected RNAP inhibition assays in Tables 1 and 4 were performed using a DNA fragment containing the lacUV5 promoter as a template and t...				ACS Chem Biol 12: 1346-1352 (2017) Article DOI: 10.1021/acschembio.6b01133 BindingDB Entry DOI: 10.7270/Q2VM4B41
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit beta [D516V] (Escherichia coli)	BDBM228835 (MRL-436) Show SMILES CC(C)Cc1nnc2c(cccn12)C(=O)NC1c2ccccc2-c2ccccc12 Show InChI InChI=1S/C24H22N4O/c1-15(2)14-21-26-27-23-20(12-7-13-28(21)23)24(29)25-22-18-10-5-3-8-16(18)17-9-4-6-11-19(17)22/h3-13,15,22H,14H2,1-2H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	37
Merck & Co., Inc.					Assay Description Fluorescence-detected RNAP inhibition assays in Tables 1 and 4 were performed using a DNA fragment containing the lacUV5 promoter as a template and t...				ACS Chem Biol 12: 1346-1352 (2017) Article DOI: 10.1021/acschembio.6b01133 BindingDB Entry DOI: 10.7270/Q2VM4B41
					More data for this Ligand-Target Pair
Oxa40 (Acinetobacter baumannii)	BDBM98800 (US8487093, 190) Show SMILES NCc1ccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)nc1 |r| Show InChI InChI=1S/C13H17N5O6S/c14-5-8-1-4-11(15-6-8)16-12(19)10-3-2-9-7-17(10)13(20)18(9)24-25(21,22)23/h1,4,6,9-10H,2-3,5,7,14H2,(H,15,16,19)(H,21,22,23)/t9-,10+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of beta-lactamase Oxa40 in Acinetobacter baumannii assessed as inhibition of hydrolysis of nitrocefin				Bioorg Med Chem Lett 24: 780-5 (2014) Article DOI: 10.1016/j.bmcl.2013.12.101 BindingDB Entry DOI: 10.7270/Q2HD7X41
					More data for this Ligand-Target Pair
Oxa40 (Acinetobacter baumannii)	BDBM98787 (US8487093, 170) Show SMILES OC(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)cc1 |r| Show InChI InChI=1S/C14H15N3O8S/c18-12(15-9-3-1-8(2-4-9)13(19)20)11-6-5-10-7-16(11)14(21)17(10)25-26(22,23)24/h1-4,10-11H,5-7H2,(H,15,18)(H,19,20)(H,22,23,24)/t10-,11+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of beta-lactamase Oxa40 in Acinetobacter baumannii assessed as inhibition of hydrolysis of nitrocefin				Bioorg Med Chem Lett 24: 780-5 (2014) Article DOI: 10.1016/j.bmcl.2013.12.101 BindingDB Entry DOI: 10.7270/Q2HD7X41
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50348189 (CHEMBL1800878) Show SMILES CNCCCNC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r| Show InChI InChI=1S/C10H18N4O5S/c1-11-4-2-5-12-10(16)13-6-3-7-8(13)9(15)14(7)20(17,18)19/h7-8,11H,2-6H2,1H3,(H,12,16)(H,17,18,19)/t7-,8+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa CL5701 AmpC by spectrophotometric assay				Bioorg Med Chem Lett 21: 4267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.05.065 BindingDB Entry DOI: 10.7270/Q2WW7J1C
					More data for this Ligand-Target Pair
Oxa40 (Acinetobacter baumannii)	BDBM50315411 (4,7-Dichloro-1-benzothien-2-yl sulfonylaminomethyl...) Show SMILES OB(O)CNS(=O)(=O)c1cc2c(Cl)ccc(Cl)c2s1 Show InChI InChI=1S/C9H8BCl2NO4S2/c11-6-1-2-7(12)9-5(6)3-8(18-9)19(16,17)13-4-10(14)15/h1-3,13-15H,4H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of Acinetobacter baumannii beta-lactamase OXA40				Bioorg Med Chem Lett 20: 2622-4 (2010) Article DOI: 10.1016/j.bmcl.2010.02.065 BindingDB Entry DOI: 10.7270/Q2ZS2WN8
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50309898 ((1S,5R)-7-oxo-2-(piperidin-4-ylcarbamoyl)-2,6-diaz...) Show SMILES OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCNCC1 |r| Show InChI InChI=1S/C11H18N4O5S/c16-10-9-8(15(10)21(18,19)20)3-6-14(9)11(17)13-7-1-4-12-5-2-7/h7-9,12H,1-6H2,(H,13,17)(H,18,19,20)/t8-,9+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa beta lactamase AmpC by spectrophotometry				Bioorg Med Chem Lett 20: 918-21 (2010) Article DOI: 10.1016/j.bmcl.2009.12.069 BindingDB Entry DOI: 10.7270/Q2KW5G5S
					More data for this Ligand-Target Pair
Oxa40 (Acinetobacter baumannii)	BDBM98824 (US8487093, 222) Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)OC2CCNCC2)C1=O |r| Show InChI InChI=1S/C12H19N3O7S/c16-11(21-9-3-5-13-6-4-9)10-2-1-8-7-14(10)12(17)15(8)22-23(18,19)20/h8-10,13H,1-7H2,(H,18,19,20)/t8-,10+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of beta-lactamase Oxa40 in Acinetobacter baumannii assessed as inhibition of hydrolysis of nitrocefin				Bioorg Med Chem Lett 24: 780-5 (2014) Article DOI: 10.1016/j.bmcl.2013.12.101 BindingDB Entry DOI: 10.7270/Q2HD7X41
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50348184 (CHEMBL1800873) Show SMILES NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r| Show InChI InChI=1S/C6H9N3O5S/c7-6(11)8-2-1-3-4(8)5(10)9(3)15(12,13)14/h3-4H,1-2H2,(H2,7,11)(H,12,13,14)/t3-,4+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa CL5701 AmpC by spectrophotometric assay				Bioorg Med Chem Lett 21: 4267-70 (2011) Article DOI: 10.1016/j.bmcl.2011.05.065 BindingDB Entry DOI: 10.7270/Q2WW7J1C
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50309902 ((1S,5R)-2-(1,4-diazepan-6-ylcarbamoyl)-7-oxo-2,6-d...) Show SMILES OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CNCCNC1 |r| Show InChI InChI=1S/C11H19N5O5S/c17-10-9-8(16(10)22(19,20)21)1-4-15(9)11(18)14-7-5-12-2-3-13-6-7/h7-9,12-13H,1-6H2,(H,14,18)(H,19,20,21)/t8-,9+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa beta lactamase AmpC by spectrophotometry				Bioorg Med Chem Lett 20: 918-21 (2010) Article DOI: 10.1016/j.bmcl.2009.12.069 BindingDB Entry DOI: 10.7270/Q2KW5G5S
					More data for this Ligand-Target Pair
Oxa40 (Acinetobacter baumannii)	BDBM50447649 (CHEMBL3112746) Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2ccncc2)C1=O |r| Show InChI InChI=1S/C12H14N4O6S/c17-11(14-8-3-5-13-6-4-8)10-2-1-9-7-15(10)12(18)16(9)22-23(19,20)21/h3-6,9-10H,1-2,7H2,(H,13,14,17)(H,19,20,21)/t9-,10+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of beta-lactamase Oxa40 in Acinetobacter baumannii assessed as inhibition of hydrolysis of nitrocefin				Bioorg Med Chem Lett 24: 780-5 (2014) Article DOI: 10.1016/j.bmcl.2013.12.101 BindingDB Entry DOI: 10.7270/Q2HD7X41
					More data for this Ligand-Target Pair
Oxa40 (Acinetobacter baumannii)	BDBM98791 (US8487093, 178) Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2cccnc2)C1=O |r| Show InChI InChI=1S/C12H14N4O6S/c17-11(14-8-2-1-5-13-6-8)10-4-3-9-7-15(10)12(18)16(9)22-23(19,20)21/h1-2,5-6,9-10H,3-4,7H2,(H,14,17)(H,19,20,21)/t9-,10+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of beta-lactamase Oxa40 in Acinetobacter baumannii assessed as inhibition of hydrolysis of nitrocefin				Bioorg Med Chem Lett 24: 780-5 (2014) Article DOI: 10.1016/j.bmcl.2013.12.101 BindingDB Entry DOI: 10.7270/Q2HD7X41
					More data for this Ligand-Target Pair
Oxa40 (Acinetobacter baumannii)	BDBM50447647 (CHEMBL3112752) Show SMILES N[C@@H](Cc1ccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)cc1)C(O)=O |r| Show InChI InChI=1S/C16H20N4O8S/c17-12(15(22)23)7-9-1-3-10(4-2-9)18-14(21)13-6-5-11-8-19(13)16(24)20(11)28-29(25,26)27/h1-4,11-13H,5-8,17H2,(H,18,21)(H,22,23)(H,25,26,27)/t11-,12+,13+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of beta-lactamase Oxa40 in Acinetobacter baumannii assessed as inhibition of hydrolysis of nitrocefin				Bioorg Med Chem Lett 24: 780-5 (2014) Article DOI: 10.1016/j.bmcl.2013.12.101 BindingDB Entry DOI: 10.7270/Q2HD7X41
					More data for this Ligand-Target Pair
Oxa40 (Acinetobacter baumannii)	BDBM98755 (US8487093, 116) Show SMILES OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NCC2CCNCC2)C1=O |r| Show InChI InChI=1S/C13H22N4O6S/c18-12(15-7-9-3-5-14-6-4-9)11-2-1-10-8-16(11)13(19)17(10)23-24(20,21)22/h9-11,14H,1-8H2,(H,15,18)(H,20,21,22)/t10-,11+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of beta-lactamase Oxa40 in Acinetobacter baumannii assessed as inhibition of hydrolysis of nitrocefin				Bioorg Med Chem Lett 24: 780-5 (2014) Article DOI: 10.1016/j.bmcl.2013.12.101 BindingDB Entry DOI: 10.7270/Q2HD7X41
					More data for this Ligand-Target Pair
Oxa40 (Acinetobacter baumannii)	BDBM98764 (US8487093, 132) Show SMILES CN(C1CCNCC1)C(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r| Show InChI InChI=1S/C13H22N4O6S/c1-15(9-4-6-14-7-5-9)12(18)11-3-2-10-8-16(11)13(19)17(10)23-24(20,21)22/h9-11,14H,2-8H2,1H3,(H,20,21,22)/t10-,11+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of beta-lactamase Oxa40 in Acinetobacter baumannii assessed as inhibition of hydrolysis of nitrocefin				Bioorg Med Chem Lett 24: 780-5 (2014) Article DOI: 10.1016/j.bmcl.2013.12.101 BindingDB Entry DOI: 10.7270/Q2HD7X41
					More data for this Ligand-Target Pair
Oxa40 (Acinetobacter baumannii)	BDBM50447648 (CHEMBL3112750) Show SMILES Cn1ccc(cc1)=[NH+]C(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS([O-])(=O)=O |r,wD:13.14,10.10,(33.1,-24.04,;34.44,-24.81,;34.43,-26.35,;35.77,-27.12,;37.11,-26.35,;37.1,-24.8,;35.76,-24.04,;38.44,-27.12,;39.77,-26.35,;39.77,-24.81,;41.1,-27.13,;42.44,-26.37,;43.76,-27.16,;43.74,-28.7,;42.4,-29.45,;41.08,-28.66,;41.47,-30.15,;40.38,-31.23,;43.01,-30.15,;43.82,-31.46,;45.36,-31.41,;46.09,-30.06,;45.35,-32.95,;46.89,-31.41,)| Show InChI InChI=1S/C13H16N4O6S/c1-15-6-4-9(5-7-15)14-12(18)11-3-2-10-8-16(11)13(19)17(10)23-24(20,21)22/h4-7,10-11H,2-3,8H2,1H3,(H,20,21,22)/t10-,11+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labs Curated by ChEMBL					Assay Description Inhibition of beta-lactamase Oxa40 in Acinetobacter baumannii assessed as inhibition of hydrolysis of nitrocefin				Bioorg Med Chem Lett 24: 780-5 (2014) Article DOI: 10.1016/j.bmcl.2013.12.101 BindingDB Entry DOI: 10.7270/Q2HD7X41
					More data for this Ligand-Target Pair

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