Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'PER-2 beta-lactamase'   

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 (Citrobacter freundii)	BDBM50240349 (CHEMBL9306 | Lithium; (2R,5R)-3-[2-hydroxy-eth-(Z)...) Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C([O-])=O |r| Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/p-1/b4-1-/t6-,7-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Inhibition of Citrobacter freundii PER2 beta lactamase				Antimicrob Agents Chemother 51: 2359-65 (2007) Article DOI: 10.1128/AAC.01395-06 BindingDB Entry DOI: 10.7270/Q24X57J4
					More data for this Ligand-Target Pair
Beta-lactamase (Citrobacter freundii)	BDBM50053173 ((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...) Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Inhibition of Citrobacter freundii PER2 beta lactamase				Antimicrob Agents Chemother 51: 2359-65 (2007) Article DOI: 10.1128/AAC.01395-06 BindingDB Entry DOI: 10.7270/Q24X57J4
					More data for this Ligand-Target Pair
Beta-lactamase (Citrobacter freundii)	BDBM50049708 (CHEMBL148 | IMIPENEM) Show SMILES C[C@@H](O)[C@@H]1[C@H]2CC(SCCN=CN)=C(N2C1=O)C(O)=O |r,w:11.11,c:12| Show InChI InChI=1S/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/t6-,7-,9-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Inhibition of Citrobacter freundii PER2 beta lactamase				Antimicrob Agents Chemother 51: 2359-65 (2007) Article DOI: 10.1128/AAC.01395-06 BindingDB Entry DOI: 10.7270/Q24X57J4
					More data for this Ligand-Target Pair
Beta-lactamase (Citrobacter freundii)	BDBM50169176 ((6R,7R)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-(...) Show SMILES COC1(NC(=O)Cc2cccs2)C2SCC(COC(N)=O)=C(N2C1=O)C([O-])=O |c:21| Show InChI InChI=1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/p-1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Inhibition of Citrobacter freundii PER2 beta lactamase				Antimicrob Agents Chemother 51: 2359-65 (2007) Article DOI: 10.1128/AAC.01395-06 BindingDB Entry DOI: 10.7270/Q24X57J4
					More data for this Ligand-Target Pair
Beta-lactamase (Citrobacter freundii)	BDBM50240426 ((2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazi...) Show SMILES CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c2ccccc2)C(=O)C1=O |r| Show InChI InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Inhibition of Citrobacter freundii PER2 beta lactamase				Antimicrob Agents Chemother 51: 2359-65 (2007) Article DOI: 10.1128/AAC.01395-06 BindingDB Entry DOI: 10.7270/Q24X57J4
					More data for this Ligand-Target Pair
Beta-lactamase (Citrobacter freundii)	BDBM50240480 ((2S,3S)-3-({(2Z)-2-(2-ammonio-1,3-thiazol-4-yl)-2-...) Show SMILES C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O |r| Show InChI InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Inhibition of Citrobacter freundii PER2 beta lactamase				Antimicrob Agents Chemother 51: 2359-65 (2007) Article DOI: 10.1128/AAC.01395-06 BindingDB Entry DOI: 10.7270/Q24X57J4
					More data for this Ligand-Target Pair