Compile Data Set for Download or QSAR

Found 123 hits Enz. Inhib. hit(s) with all data for entry = 4142   

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 (Pseudomonas aeruginosa)	BDBM52023 (5-(4-methylphenyl)-1,3-dihydropyrrolo[1,2-c][1,3]t...) Show SMILES Cc1ccc(cc1)-c1c(C(O)=O)c(C(O)=O)c2CSCn12 Show InChI InChI=1S/C15H13NO4S/c1-8-2-4-9(5-3-8)13-12(15(19)20)11(14(17)18)10-6-21-7-16(10)13/h2-5H,6-7H2,1H3,(H,17,18)(H,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM52017 (2,6-Dibromo-4-[(3-mercapto-5-phenyl-[1,2,4]triazol...) Show SMILES Oc1c(Br)cc(C=Nn2c(n[nH]c2=S)-c2ccccc2)cc1Br |w:7.7| Show InChI InChI=1S/C15H10Br2N4OS/c16-11-6-9(7-12(17)13(11)22)8-18-21-14(19-20-15(21)23)10-4-2-1-3-5-10/h1-8,22H,(H,20,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM52039 (3-[(5Z)-5-(2-fluorobenzylidene)-4-keto-2-thioxo-th...) Show SMILES Fc1ccccc1\C=C1/SC(=S)N(CCC(=O)NCCCn2ccnc2)C1=O Show InChI InChI=1S/C19H19FN4O2S2/c20-15-5-2-1-4-14(15)12-16-18(26)24(19(27)28-16)10-6-17(25)22-7-3-9-23-11-8-21-13-23/h1-2,4-5,8,11-13H,3,6-7,9-10H2,(H,22,25)/b16-12-	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM52006 (2-(2-aminocarbonylsulfanylethanoylamino)benzoic ac...) Show SMILES NC(=O)SCC(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C10H10N2O4S/c11-10(16)17-5-8(13)12-7-4-2-1-3-6(7)9(14)15/h1-4H,5H2,(H2,11,16)(H,12,13)(H,14,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	2.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51952 (5-(ethoxycarbonyl)-3-(3-methoxy-3-oxopropyl)-4-met...) Show SMILES CCOC(=O)c1[nH]c(C(O)=O)c(CCC(=O)OC)c1C Show InChI InChI=1S/C13H17NO6/c1-4-20-13(18)10-7(2)8(5-6-9(15)19-3)11(14-10)12(16)17/h14H,4-6H2,1-3H3,(H,16,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM52022 (5-(4-bromophenyl)-1,3-dihydropyrrolo[1,2-c][1,3]th...) Show SMILES OC(=O)c1c2CSCn2c(c1C(O)=O)-c1ccc(Br)cc1 Show InChI InChI=1S/C14H10BrNO4S/c15-8-3-1-7(2-4-8)12-11(14(19)20)10(13(17)18)9-5-21-6-16(9)12/h1-4H,5-6H2,(H,17,18)(H,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51973 ((E)-4-(1,3-benzothiazol-2-yl)-5-(2-chloranyl-5-nit...) Show SMILES OC(=O)CC\C(=C/c1cc(ccc1Cl)[N+]([O-])=O)c1nc2ccccc2s1 Show InChI InChI=1S/C18H13ClN2O4S/c19-14-7-6-13(21(24)25)10-12(14)9-11(5-8-17(22)23)18-20-15-3-1-2-4-16(15)26-18/h1-4,6-7,9-10H,5,8H2,(H,22,23)/b11-9+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51940 (MLS000033402 | N-[5-[2-(2,6-dimethylpiperidin-1-yl...) Show SMILES CC1CCCC(C)N1C(=O)CSc1nnc(NC(=O)c2cccs2)s1 Show InChI InChI=1S/C16H20N4O2S3/c1-10-5-3-6-11(2)20(10)13(21)9-24-16-19-18-15(25-16)17-14(22)12-7-4-8-23-12/h4,7-8,10-11H,3,5-6,9H2,1-2H3,(H,17,18,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51941 (MLS000034517 | N-[[4-(3-methoxyphenyl)-5-sulfanyli...) Show SMILES COc1cccc(c1)-n1c(CNC(=O)OC(C)(C)C)n[nH]c1=S Show InChI InChI=1S/C15H20N4O3S/c1-15(2,3)22-14(20)16-9-12-17-18-13(23)19(12)10-6-5-7-11(8-10)21-4/h5-8H,9H2,1-4H3,(H,16,20)(H,18,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51942 (MLS000029635 | N,N-Diethyl-2-{6-[2-(1-methyl-1H-im...) Show SMILES CCN(CC)C(=O)CSc1nc2ccc(NC(=O)CSc3nccn3C)cc2s1 Show InChI InChI=1S/C19H23N5O2S3/c1-4-24(5-2)17(26)12-28-19-22-14-7-6-13(10-15(14)29-19)21-16(25)11-27-18-20-8-9-23(18)3/h6-10H,4-5,11-12H2,1-3H3,(H,21,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51943 (2-Methoxy-N-(5-{[(thiophen-2-ylmethyl)-carbamoyl]-...) Show SMILES COCC(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1 Show InChI InChI=1S/C12H14N4O3S3/c1-19-6-9(17)14-11-15-16-12(22-11)21-7-10(18)13-5-8-3-2-4-20-8/h2-4H,5-7H2,1H3,(H,13,18)(H,14,15,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM40948 (1-(1-naphthalenyl)ethenylphosphonic acid | 1-(1-na...) Show SMILES OP(O)(=O)C(=C)c1cccc2ccccc12 Show InChI InChI=1S/C12H11O3P/c1-9(16(13,14)15)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H2,(H2,13,14,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51944 (3-phenyl-4-(phenylmethyl)-1H-1,2,4-triazole-5-thio...) Show SMILES S=c1[nH]nc(-c2ccccc2)n1Cc1ccccc1 Show InChI InChI=1S/C15H13N3S/c19-15-17-16-14(13-9-5-2-6-10-13)18(15)11-12-7-3-1-4-8-12/h1-10H,11H2,(H,17,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51945 (3-(2-furanyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5...) Show SMILES S=c1[nH]nc(-c2ccco2)n1Cc1ccccc1 Show InChI InChI=1S/C13H11N3OS/c18-13-15-14-12(11-7-4-8-17-11)16(13)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51946 (3-(2-furanyl)-4-(1-naphthalenyl)-1H-1,2,4-triazole...) Show SMILES S=c1[nH]nc(-c2ccco2)n1-c1cccc2ccccc12 |(10.99,-1.19,;9.53,-1.67,;9.05,-3.14,;7.51,-3.14,;7.04,-1.67,;5.57,-1.19,;5.1,.27,;3.56,.27,;3.08,-1.19,;4.33,-2.1,;8.28,-.77,;8.28,.77,;6.95,1.54,;6.95,3.08,;8.28,3.85,;9.62,3.08,;10.99,3.91,;12.39,3.12,;12.39,1.51,;10.99,.72,;9.62,1.54,)| Show InChI InChI=1S/C16H11N3OS/c21-16-18-17-15(14-9-4-10-20-14)19(16)13-8-3-6-11-5-1-2-7-12(11)13/h1-10H,(H,18,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51947 ((4E)-5-(2,5-dimethoxyphenyl)-1-(2-furanylmethyl)-4...) Show SMILES COc1ccc(cc1)C(=O)C1C(N(Cc2ccco2)C(=O)C1=O)c1cc(OC)ccc1OC Show InChI InChI=1S/C25H23NO7/c1-30-16-8-6-15(7-9-16)23(27)21-22(19-13-17(31-2)10-11-20(19)32-3)26(25(29)24(21)28)14-18-5-4-12-33-18/h4-13,21-22H,14H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51948 ((4Z)-4-[(4-fluorophenyl)-hydroxy-methylene]-5-(2-p...) Show SMILES Fc1ccc(cc1)C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccccn1 Show InChI InChI=1S/C22H16FN3O3/c23-16-8-6-15(7-9-16)20(27)18-19(17-5-1-2-11-25-17)26(22(29)21(18)28)13-14-4-3-10-24-12-14/h1-12,18-19H,13H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51949 ((4Z)-4-[hydroxy(phenyl)methylene]-5-(2-pyridyl)-1-...) Show SMILES O=C(C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccccn1)c1ccccc1 Show InChI InChI=1S/C22H17N3O3/c26-20(16-8-2-1-3-9-16)18-19(17-10-4-5-12-24-17)25(22(28)21(18)27)14-15-7-6-11-23-13-15/h1-13,18-19H,14H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51950 (MLS000080251 | SMR000035031 | cid_664602) Show SMILES OC(=O)C1Sc2[nH]c(=O)sc2C2C1C(=O)Oc1ccc(Cl)cc21 Show InChI InChI=1S/C14H8ClNO5S2/c15-4-1-2-6-5(3-4)7-8(13(19)21-6)10(12(17)18)22-11-9(7)23-14(20)16-11/h1-3,7-8,10H,(H,16,20)(H,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM39597 ((2-benzoxyphenyl)phosphonic acid | (2-phenylmethox...) Show SMILES OP(O)(=O)c1ccccc1OCc1ccccc1 Show InChI InChI=1S/C13H13O4P/c14-18(15,16)13-9-5-4-8-12(13)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,14,15,16)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51951 (MLS000097889 | N-(amino-keto-phenyl-persulfuranyli...) Show SMILES CCOC(=O)N=S(N)(=O)c1ccccc1 Show InChI InChI=1S/C9H12N2O3S/c1-2-14-9(12)11-15(10,13)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,10,11,12,13)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM40022 (MLS000085771 | N-(2-{[2-(cyclopropylamino)-2-oxoet...) Show SMILES Cn1ccnc1SCC(=O)Nc1ccc2nc(SCC(=O)NC3CC3)sc2c1 Show InChI InChI=1S/C18H19N5O2S3/c1-23-7-6-19-17(23)26-9-15(24)21-12-4-5-13-14(8-12)28-18(22-13)27-10-16(25)20-11-2-3-11/h4-8,11H,2-3,9-10H2,1H3,(H,20,25)(H,21,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51953 (4-(4-methoxyphenyl)-2-(4-methyl-1-piperazinyl)-6-(...) Show SMILES COc1ccc(cc1)-c1cc(nc(n1)N1CCN(C)CC1)C(F)(F)F Show InChI InChI=1S/C17H19F3N4O/c1-23-7-9-24(10-8-23)16-21-14(11-15(22-16)17(18,19)20)12-3-5-13(25-2)6-4-12/h3-6,11H,7-10H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51954 ((2-benzoyl-1H-pyrrol-1-yl)acetic acid | 2-(2-benzo...) Show SMILES OC(=O)Cn1cccc1C(=O)c1ccccc1 Show InChI InChI=1S/C13H11NO3/c15-12(16)9-14-8-4-7-11(14)13(17)10-5-2-1-3-6-10/h1-8H,9H2,(H,15,16)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM40973 (2-{[5-(2-phosphonophenoxy)pentyl]oxy}phenylphospho...) Show SMILES OP(O)(=O)c1ccccc1OCCCCCOc1ccccc1P(O)(O)=O Show InChI InChI=1S/C17H22O8P2/c18-26(19,20)16-10-4-2-8-14(16)24-12-6-1-7-13-25-15-9-3-5-11-17(15)27(21,22)23/h2-5,8-11H,1,6-7,12-13H2,(H2,18,19,20)(H2,21,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51955 (3-phenyl-4-(tetrahydrofurfuryl)-1H-1,2,4-triazole-...) Show SMILES S=c1[nH]nc(-c2ccccc2)n1CC1CCCO1 Show InChI InChI=1S/C13H15N3OS/c18-13-15-14-12(10-5-2-1-3-6-10)16(13)9-11-7-4-8-17-11/h1-3,5-6,11H,4,7-9H2,(H,15,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM38499 (4-(1-cyclohex-2-enyl)-3-phenyl-1H-1,2,4-triazole-5...) Show SMILES S=c1[nH]nc(-c2ccccc2)n1C1CCCC=C1 |c:18| Show InChI InChI=1S/C14H15N3S/c18-14-16-15-13(11-7-3-1-4-8-11)17(14)12-9-5-2-6-10-12/h1,3-5,7-9,12H,2,6,10H2,(H,16,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51956 (3-(4-methylphenyl)-4-phenyl-1H-1,2,4-triazole-5-th...) Show SMILES Cc1ccc(cc1)-c1n[nH]c(=S)n1-c1ccccc1 Show InChI InChI=1S/C15H13N3S/c1-11-7-9-12(10-8-11)14-16-17-15(19)18(14)13-5-3-2-4-6-13/h2-10H,1H3,(H,17,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51957 (MLS000122144 | N-(5-{[(Thiophen-2-ylmethyl)-carbam...) Show SMILES CCCC(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1 Show InChI InChI=1S/C13H16N4O2S3/c1-2-4-10(18)15-12-16-17-13(22-12)21-8-11(19)14-7-9-5-3-6-20-9/h3,5-6H,2,4,7-8H2,1H3,(H,14,19)(H,15,16,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51958 (2,2-Dimethyl-N-(5-{[(thiophen-2-ylmethyl)-carbamoy...) Show SMILES CC(C)(C)C(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1 Show InChI InChI=1S/C14H18N4O2S3/c1-14(2,3)11(20)16-12-17-18-13(23-12)22-8-10(19)15-7-9-5-4-6-21-9/h4-6H,7-8H2,1-3H3,(H,15,19)(H,16,17,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51959 (4-butyl-3-(2-methyl-3-furanyl)-1H-1,2,4-triazole-5...) Show SMILES CCCCn1c(n[nH]c1=S)-c1ccoc1C Show InChI InChI=1S/C11H15N3OS/c1-3-4-6-14-10(12-13-11(14)16)9-5-7-15-8(9)2/h5,7H,3-4,6H2,1-2H3,(H,13,16)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51960 (4-[(6-keto-3-methyl-7,8,9,10-tetrahydrobenzo[c]chr...) Show SMILES Cc1oc(cc1COc1cc(C)cc2oc(=O)c3CCCCc3c12)C(O)=O Show InChI InChI=1S/C21H20O6/c1-11-7-16(25-10-13-9-18(20(22)23)26-12(13)2)19-14-5-3-4-6-15(14)21(24)27-17(19)8-11/h7-9H,3-6,10H2,1-2H3,(H,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51961 (4-butyl-3-(4-chloranyl-1-methyl-pyrazol-3-yl)-1H-1...) Show SMILES CCCCn1c(n[nH]c1=S)-c1nn(C)cc1Cl Show InChI InChI=1S/C10H14ClN5S/c1-3-4-5-16-9(12-13-10(16)17)8-7(11)6-15(2)14-8/h6H,3-5H2,1-2H3,(H,13,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51962 (4-butyl-3-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-...) Show SMILES CCCCn1c(n[nH]c1=S)-c1nn(C)c(C)c1Cl Show InChI InChI=1S/C11H16ClN5S/c1-4-5-6-17-10(13-14-11(17)18)9-8(12)7(2)16(3)15-9/h4-6H2,1-3H3,(H,14,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51963 (MLS000557398 | N-[5-(2-Fluoro-benzylsulfanylmethyl...) Show SMILES CC(C)(C)C(=O)Nc1nnc(CSCc2ccccc2F)s1 Show InChI InChI=1S/C15H18FN3OS2/c1-15(2,3)13(20)17-14-19-18-12(22-14)9-21-8-10-6-4-5-7-11(10)16/h4-7H,8-9H2,1-3H3,(H,17,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51964 (2-{[(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazo...) Show SMILES O=c1[nH]c(SCc2n[nH]c(=S)n2-c2ccccc2)nc2sc3CCCc3c12 Show InChI InChI=1S/C18H15N5OS3/c24-15-14-11-7-4-8-12(11)27-16(14)20-17(19-15)26-9-13-21-22-18(25)23(13)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,22,25)(H,19,20,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51965 (3-(2-furanyl)-4-(2-methylpropyl)-1H-1,2,4-triazole...) Show SMILES CC(C)Cn1c(n[nH]c1=S)-c1ccco1 Show InChI InChI=1S/C10H13N3OS/c1-7(2)6-13-9(11-12-10(13)15)8-4-3-5-14-8/h3-5,7H,6H2,1-2H3,(H,12,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51966 (3-cyclopropyl-4-(2-furanylmethyl)-1H-1,2,4-triazol...) Show SMILES S=c1[nH]nc(C2CC2)n1Cc1ccco1 Show InChI InChI=1S/C10H11N3OS/c15-10-12-11-9(7-3-4-7)13(10)6-8-2-1-5-14-8/h1-2,5,7H,3-4,6H2,(H,12,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51967 (4-(2,3-dimethylphenyl)-3-methyl-1H-1,2,4-triazole-...) Show SMILES Cc1n[nH]c(=S)n1-c1cccc(C)c1C |(3.08,1.17,;4.54,1.64,;5.02,3.11,;6.56,3.11,;7.04,1.64,;8.5,1.17,;5.79,.74,;5.79,-.8,;7.12,-1.57,;7.12,-3.11,;5.79,-3.88,;4.46,-3.11,;3.12,-3.88,;4.46,-1.57,;3.12,-.8,)| Show InChI InChI=1S/C11H13N3S/c1-7-5-4-6-10(8(7)2)14-9(3)12-13-11(14)15/h4-6H,1-3H3,(H,13,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51968 (4-(3-chlorophenyl)-3-(2-{4-nitro-3,5-dimethyl-1H-p...) Show SMILES Cc1nn(CCc2n[nH]c(=S)n2-c2cccc(Cl)c2)c(C)c1[N+]([O-])=O Show InChI InChI=1S/C15H15ClN6O2S/c1-9-14(22(23)24)10(2)20(19-9)7-6-13-17-18-15(25)21(13)12-5-3-4-11(16)8-12/h3-5,8H,6-7H2,1-2H3,(H,18,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51969 (3-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-(4-met...) Show SMILES Cc1c(Cl)c(nn1C)-c1n[nH]c(=S)n1-c1ccc(C)cc1 Show InChI InChI=1S/C14H14ClN5S/c1-8-4-6-10(7-5-8)20-13(16-17-14(20)21)12-11(15)9(2)19(3)18-12/h4-7H,1-3H3,(H,17,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51688 ((3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)-aceti...) Show SMILES COc1ccc(OC)c(C=NNC(=O)Cc2c(C)[nH][nH]c2=O)c1 |w:10.10| Show InChI InChI=1S/C15H18N4O4/c1-9-12(15(21)19-17-9)7-14(20)18-16-8-10-6-11(22-2)4-5-13(10)23-3/h4-6,8H,7H2,1-3H3,(H,18,20)(H2,17,19,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51970 ((3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)-aceti...) Show SMILES COc1cc(OC)c(C=NNC(=O)Cc2c(C)[nH][nH]c2=O)cc1OC |w:9.9| Show InChI InChI=1S/C16H20N4O5/c1-9-11(16(22)20-18-9)6-15(21)19-17-8-10-5-13(24-3)14(25-4)7-12(10)23-2/h5,7-8H,6H2,1-4H3,(H,19,21)(H2,18,20,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51971 (3-(3-benzoxy-2-thienyl)-4-methyl-1H-1,2,4-triazole...) Show SMILES Cn1c(n[nH]c1=S)-c1sccc1OCc1ccccc1 Show InChI InChI=1S/C14H13N3OS2/c1-17-13(15-16-14(17)19)12-11(7-8-20-12)18-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,16,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM47222 (3-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-(4-flu...) Show SMILES Cc1c(Cl)c(nn1C)-c1n[nH]c(=S)n1-c1ccc(F)cc1 Show InChI InChI=1S/C13H11ClFN5S/c1-7-10(14)11(18-19(7)2)12-16-17-13(21)20(12)9-5-3-8(15)4-6-9/h3-6H,1-2H3,(H,17,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51972 (2-(benzoylamino)-3,3-dichloroacrylic acid | 2-benz...) Show SMILES [#8]-[#6](=O)-[#6](\[#7]-[#6](=O)-c1ccccc1)=[#6](/Cl)Cl Show InChI InChI=1S/C10H7Cl2NO3/c11-8(12)7(10(15)16)13-9(14)6-4-2-1-3-5-6/h1-5H,(H,13,14)(H,15,16)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM37863 (N-(5-keto-2-tosyl-3-pyrazolin-3-yl)thiophene-2-car...) Show SMILES Cc1ccc(cc1)S(=O)(=O)n1[nH]c(=O)cc1NC(=O)c1cccs1 Show InChI InChI=1S/C15H13N3O4S2/c1-10-4-6-11(7-5-10)24(21,22)18-13(9-14(19)17-18)16-15(20)12-3-2-8-23-12/h2-9H,1H3,(H,16,20)(H,17,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51974 (3-methyl-7-[(1-methyl-4-nitro-pyrazol-3-yl)carbony...) Show SMILES CC1=C(N2C(SC1)C(NC(=O)c1nn(C)cc1[N+]([O-])=O)C2=O)C(O)=O |t:1| Show InChI InChI=1S/C13H13N5O6S/c1-5-4-25-12-8(11(20)17(12)9(5)13(21)22)14-10(19)7-6(18(23)24)3-16(2)15-7/h3,8,12H,4H2,1-2H3,(H,14,19)(H,21,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51975 (6-(2-methylpropyl)-4-[1-(6-methylpyridin-2-yl)-1,3...) Show SMILES CC(C)Cc1cc([nH]c(=O)n1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1cccc(C)n1 Show InChI InChI=1S/C26H27N5O2/c1-15(2)13-17-14-22(30-26(33)28-17)25(32)31-12-11-19-18-8-4-5-9-20(18)29-23(19)24(31)21-10-6-7-16(3)27-21/h4-10,14-15,24,29H,11-13H2,1-3H3,(H,28,30,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM51976 (4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-...) Show SMILES CC(C=Nn1c(n[nH]c1=S)-c1ccncc1)=Cc1ccccc1 |w:3.3,16.18| Show InChI InChI=1S/C17H15N5S/c1-13(11-14-5-3-2-4-6-14)12-19-22-16(20-21-17(22)23)15-7-9-18-10-8-15/h2-12H,1H3,(H,21,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair

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