Compile Data Set for Download or QSAR

Found 11665 hits Enz. Inhib. hit(s) with Target = '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 (Escherichia coli)	BDBM50274047 (CHEMBL3613796) Show SMILES OB(O)CNS(=O)(=O)c1ccc(cc1C(F)(F)F)-c1nnn[nH]1 Show InChI InChI=1S/C9H9BF3N5O4S/c11-9(12,13)6-3-5(8-15-17-18-16-8)1-2-7(6)23(21,22)14-4-10(19)20/h1-3,14,19-20H,4H2,(H,15,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCL School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of Escherichia coli AmpC using CENTA as substrate by spectrometry based Lineweaver-Burk plot analysis				Bioorg Med Chem 26: 2921-2927 (2018) Article DOI: 10.1016/j.bmc.2018.04.055 BindingDB Entry DOI: 10.7270/Q25T3P0V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase 1 (Bacillus cereus)	BDBM50450973 (CHEMBL4209255) Show SMILES OB(O)CNC(=O)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)-c1nnn[nH]1 Show InChI InChI=1S/C10H9BF3N5O5S/c12-10(13,14)6-1-5(8-16-18-19-17-8)2-7(3-6)25(23,24)9(20)15-4-11(21)22/h1-3,21-22H,4H2,(H,15,20)(H,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of Bacillus cereus beta-lactamase AmpC using CENTA as substrate up to 30 mins by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 27: 4221-4228 (2017) Article DOI: 10.1016/j.bmcl.2017.08.027 BindingDB Entry DOI: 10.7270/Q2N0193Z
					More data for this Ligand-Target Pair
Beta-lactamase 1 (Bacillus cereus)	BDBM50450974 (CHEMBL4206040) Show SMILES OB(O)CNC(=O)S(=O)(=O)c1cc(Cl)cc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C9H9BClN5O5S/c11-6-1-5(8-13-15-16-14-8)2-7(3-6)22(20,21)9(17)12-4-10(18)19/h1-3,18-19H,4H2,(H,12,17)(H,13,14,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of Bacillus cereus beta-lactamase AmpC using CENTA as substrate up to 30 mins by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 27: 4221-4228 (2017) Article DOI: 10.1016/j.bmcl.2017.08.027 BindingDB Entry DOI: 10.7270/Q2N0193Z
					More data for this Ligand-Target Pair
OXA23 carbapenemase (Acinetobacter baumannii)	BDBM50541448 (CHEMBL4633785) Show SMILES [H][C@@]12C[C@]1([H])c1ccc(F)c(C(O)=O)c1OB2O |r| Show InChI InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of Acinetobacter baumannii OXA-23 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition measured every 10 ...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
Beta-lactamase 1 (Bacillus cereus)	BDBM50450969 (CHEMBL4217629) Show SMILES OB(O)CNC(=O)S(=O)(=O)c1ccnc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C8H9BN6O5S/c16-8(11-4-9(17)18)21(19,20)5-1-2-10-6(3-5)7-12-14-15-13-7/h1-3,17-18H,4H2,(H,11,16)(H,12,13,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of Bacillus cereus beta-lactamase AmpC using CENTA as substrate up to 30 mins by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 27: 4221-4228 (2017) Article DOI: 10.1016/j.bmcl.2017.08.027 BindingDB Entry DOI: 10.7270/Q2N0193Z
					More data for this Ligand-Target Pair
Beta-lactamase 1 (Bacillus cereus)	BDBM50450975 (CHEMBL4204887) Show SMILES OB(O)CNC(=O)S(=O)(=O)Cc1cccc(c1)C(O)=O Show InChI InChI=1S/C10H12BNO7S/c13-9(14)8-3-1-2-7(4-8)5-20(18,19)10(15)12-6-11(16)17/h1-4,16-17H,5-6H2,(H,12,15)(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of Bacillus cereus beta-lactamase AmpC using CENTA as substrate up to 30 mins by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 27: 4221-4228 (2017) Article DOI: 10.1016/j.bmcl.2017.08.027 BindingDB Entry DOI: 10.7270/Q2N0193Z
					More data for this Ligand-Target Pair
Metallo-beta-lactamase L1 type 3 (Stenotrophomonas maltophilia)	BDBM50191983 (3-((1-((R)-1-amino-1-oxo-3-phenylpropan-2-ylamino)...) Show SMILES NC(=O)[C@@H](Cc1ccccc1)NC(=O)C(CCS)NC(=O)c1cc(O)cc(c1)C(O)=O Show InChI InChI=1S/C21H23N3O6S/c22-18(26)17(8-12-4-2-1-3-5-12)24-20(28)16(6-7-31)23-19(27)13-9-14(21(29)30)11-15(25)10-13/h1-5,9-11,16-17,25,31H,6-8H2,(H2,22,26)(H,23,27)(H,24,28)(H,29,30)/t16?,17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase				Bioorg Med Chem Lett 16: 5169-75 (2006) Article DOI: 10.1016/j.bmcl.2006.07.001 BindingDB Entry DOI: 10.7270/Q2WQ03DJ
					More data for this Ligand-Target Pair
Metallo-beta-lactamase L1 type 3 (Stenotrophomonas maltophilia)	BDBM50191983 (3-((1-((R)-1-amino-1-oxo-3-phenylpropan-2-ylamino)...) Show SMILES NC(=O)[C@@H](Cc1ccccc1)NC(=O)C(CCS)NC(=O)c1cc(O)cc(c1)C(O)=O Show InChI InChI=1S/C21H23N3O6S/c22-18(26)17(8-12-4-2-1-3-5-12)24-20(28)16(6-7-31)23-19(27)13-9-14(21(29)30)11-15(25)10-13/h1-5,9-11,16-17,25,31H,6-8H2,(H2,22,26)(H,23,27)(H,24,28)(H,29,30)/t16?,17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase				Bioorg Med Chem Lett 16: 5169-75 (2006) Article DOI: 10.1016/j.bmcl.2006.07.001 BindingDB Entry DOI: 10.7270/Q2WQ03DJ
					More data for this Ligand-Target Pair
Beta-lactamase (Acinetobacter baumannii)	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 UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity of Acinetobacter baumannii ADC-33 beta-lactamase				Antimicrob Agents Chemother 54: 3484-8 (2010) Article DOI: 10.1128/AAC.00050-10 BindingDB Entry DOI: 10.7270/Q2348KM2
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM50541448 (CHEMBL4633785) Show SMILES [H][C@@]12C[C@]1([H])c1ccc(F)c(C(O)=O)c1OB2O |r| Show InChI InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli VIM-1 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition measured every...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50225373 (CHEMBL396872 | pinacol 5-[(3,4-dichlorophenylamino...) Show SMILES OB(O)c1cc2cc(CNc3ccc(Cl)c(Cl)c3)ccc2s1 Show InChI InChI=1S/C15H12BCl2NO2S/c17-12-3-2-11(7-13(12)18)19-8-9-1-4-14-10(5-9)6-15(22-14)16(20)21/h1-7,19-21H,8H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase				J Med Chem 50: 5644-54 (2007) Article DOI: 10.1021/jm070643q BindingDB Entry DOI: 10.7270/Q21N80W5
					More data for this Ligand-Target Pair
Metallo-beta-lactamase L1 type 3 (Stenotrophomonas maltophilia)	BDBM50191986 ((2R)-2-(2-(5-fluoro-1H-indole-2-carboxamido)-4-mer...) Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(CCS)NC(=O)c1cc2cc(F)ccc2[nH]1 Show InChI InChI=1S/C22H22FN3O4S/c23-15-6-7-16-14(11-15)12-18(24-16)21(28)25-17(8-9-31)20(27)26-19(22(29)30)10-13-4-2-1-3-5-13/h1-7,11-12,17,19,24,31H,8-10H2,(H,25,28)(H,26,27)(H,29,30)/t17?,19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase				Bioorg Med Chem Lett 16: 5169-75 (2006) Article DOI: 10.1016/j.bmcl.2006.07.001 BindingDB Entry DOI: 10.7270/Q2WQ03DJ
					More data for this Ligand-Target Pair
Metallo-beta-lactamase VIM-2 (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM580196 (US11491146, Compound 3) Show SMILES CC(=O)c1cccc(=S)n1O Show InChI	PDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To identify potential MBL inhibitors, the relative change in the formation of hydrolyzed nitrocefin between treated and untreated VIM2 was determined...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7TB3
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50115618 (2-[(2-Amino-thiazol-4-yl)-(dihydroxyboranylmethyl-...) Show SMILES CC(C)(O\N=C(\C(=O)NCB(O)O)c1csc(N)n1)C([O-])=O Show InChI InChI=1S/C10H15BN4O6S/c1-10(2,8(17)18)21-15-6(5-3-22-9(12)14-5)7(16)13-4-11(19)20/h3,19-20H,4H2,1-2H3,(H2,12,14)(H,13,16)(H,17,18)/p-1/b15-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity of the compound towards AmpC beta-lactamase binding site from Escherichia coli				J Med Chem 45: 3222-34 (2002) BindingDB Entry DOI: 10.7270/Q2CN737M
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50339869 (5-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl...) Show SMILES OB1OCc2ccc(Oc3cnc(cn3)C(O)=O)cc12 Show InChI InChI=1S/C12H9BN2O5/c16-12(17)10-4-15-11(5-14-10)20-8-2-1-7-6-19-13(18)9(7)3-8/h1-5,18H,6H2,(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 21: 2533-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.024 BindingDB Entry DOI: 10.7270/Q2G44QK5
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50339868 (4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl...) Show SMILES OB1OCc2ccc(Oc3ccc(cc3)C(O)=O)cc12 Show InChI InChI=1S/C14H11BO5/c16-14(17)9-1-4-11(5-2-9)20-12-6-3-10-8-19-15(18)13(10)7-12/h1-7,18H,8H2,(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 21: 2533-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.024 BindingDB Entry DOI: 10.7270/Q2G44QK5
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM39816 (Acylglycineboronic acid, 15) Show SMILES CC(C)(O\N=C(\C(=O)NCB(O)O)c1csc(S)n1)C([O-])=O Show InChI InChI=1S/C10H14BN3O6S2/c1-10(2,8(16)17)20-14-6(5-3-22-9(21)13-5)7(15)12-4-11(18)19/h3,18-19H,4H2,1-2H3,(H,12,15)(H,13,21)(H,16,17)/p-1/b14-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Northwestern University					Assay Description Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli.				Chem Biol 8: 17-31 (2001) Article DOI: 10.1016/S1074-5521(00)00052-1 BindingDB Entry DOI: 10.7270/Q2CC0Z3R
					More data for this Ligand-Target Pair
Beta-lactamase [24-383] (Acinetobacter baumannii (g-Proteobacteria))	BDBM152694 (SM23) Show SMILES OB(O)[C@@H](NC(=O)Cc1cccs1)c1cccc(c1)C(O)=O |r| Show InChI InChI=1S/C14H14BNO5S/c17-12(8-11-5-2-6-22-11)16-13(15(20)21)9-3-1-4-10(7-9)14(18)19/h1-7,13,20-21H,8H2,(H,16,17)(H,18,19)/t13-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem	PDB Article PubMed	21.1	-43.8	n/a	90	n/a	n/a	n/a	7.4	25
Grand Valley State University					Assay Description Steady state kinetics assays were performed on a Cary 100 UV−vis spectrophotometer in 10 mM phosphate-buffered saline (pH 7.4) with 2 nM ADC-7....				Biochemistry 53: 7670-9 (2014) Article DOI: 10.1021/bi500887n BindingDB Entry DOI: 10.7270/Q2GM8614
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metallo-beta-lactamase L1 type 3 (Stenotrophomonas maltophilia)	BDBM50191996 (6-((1-((R)-1-amino-1-oxo-3-phenylpropan-2-ylamino)...) Show SMILES NC(=O)[C@@H](Cc1ccccc1)NC(=O)C(CCS)NC(=O)c1cccc(n1)C(O)=O Show InChI InChI=1S/C20H22N4O5S/c21-17(25)16(11-12-5-2-1-3-6-12)24-19(27)14(9-10-30)23-18(26)13-7-4-8-15(22-13)20(28)29/h1-8,14,16,30H,9-11H2,(H2,21,25)(H,23,26)(H,24,27)(H,28,29)/t14?,16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase				Bioorg Med Chem Lett 16: 5169-75 (2006) Article DOI: 10.1016/j.bmcl.2006.07.001 BindingDB Entry DOI: 10.7270/Q2WQ03DJ
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM26139 (1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...) Show SMILES OB(O)c1cc2ccccc2s1 Show InChI InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase				J Med Chem 50: 5644-54 (2007) Article DOI: 10.1021/jm070643q BindingDB Entry DOI: 10.7270/Q21N80W5
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM26139 (1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...) Show SMILES OB(O)c1cc2ccccc2s1 Show InChI InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity of the compound towards AmpC beta-lactamase binding site from Escherichia coli				J Med Chem 45: 3222-34 (2002) BindingDB Entry DOI: 10.7270/Q2CN737M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase (Escherichia coli)	BDBM26139 (1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...) Show SMILES OB(O)c1cc2ccccc2s1 Show InChI InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Medical School Curated by ChEMBL					Assay Description Inhibitory activity against E. coli AmpC beta-lactamase.				J Med Chem 41: 4577-86 (1998) Article DOI: 10.1021/jm980343w BindingDB Entry DOI: 10.7270/Q22N51FX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase TEM (Escherichia coli)	BDBM50225381 (CHEMBL235293 | pinacol5-{[4-(1-hydroxy-2,2,2-trifl...) Show SMILES OB(O)c1cc2cc(CNc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)ccc2s1 Show InChI InChI=1S/C18H14BF6NO3S/c20-17(21,22)16(27,18(23,24)25)12-2-4-13(5-3-12)26-9-10-1-6-14-11(7-10)8-15(30-14)19(28)29/h1-8,26-29H,9H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase				J Med Chem 50: 5644-54 (2007) Article DOI: 10.1021/jm070643q BindingDB Entry DOI: 10.7270/Q21N80W5
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50225393 (CHEMBL235526 | pinacol 5-[(carboxymethylamino)meth...) Show SMILES OB(O)c1cc2cc(CNCC(O)=O)ccc2s1 Show InChI InChI=1S/C11H12BNO4S/c14-11(15)6-13-5-7-1-2-9-8(3-7)4-10(18-9)12(16)17/h1-4,13,16-17H,5-6H2,(H,14,15)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase				J Med Chem 50: 5644-54 (2007) Article DOI: 10.1021/jm070643q BindingDB Entry DOI: 10.7270/Q21N80W5
					More data for this Ligand-Target Pair
Oxa40 (Acinetobacter baumannii)	BDBM227598 (Penem 1) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CSCn2n1 |r,t:3| Show InChI InChI=1S/C12H9N3O3S2/c16-10-8(11-15(10)9(4-20-11)12(17)18)2-6-1-7-3-19-5-14(7)13-6/h1-2,4,11H,3,5H2,(H,17,18)/p-1/b8-2-/t11-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	150	n/a	n/a	n/a	n/a	7.2	n/a
Case Western Reserve University					Assay Description Steady-state kinetics were performed on an Agilent 8453 diode array spectrophotometer (Palo Alto, CA) in 50 mM sodium phosphate buffer (pH 7.2) suppl...				J Biol Chem 289: 6152-64 (2014) Article DOI: 10.1074/jbc.M113.533562 BindingDB Entry DOI: 10.7270/Q2CN72SC
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50225376 (CHEMBL397522 | pinacol 5-bromomethylbenzo[b]thioph...) Show SMILES OB(O)c1cc2cc(Br)ccc2s1 Show InChI InChI=1S/C8H6BBrO2S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4,11-12H	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase				J Med Chem 50: 5644-54 (2007) Article DOI: 10.1021/jm070643q BindingDB Entry DOI: 10.7270/Q21N80W5
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50225371 (5-methyl-benzo[b]thiophen-2-ylboronic acid | CHEMB...) Show SMILES Cc1ccc2sc(cc2c1)B(O)O Show InChI InChI=1S/C9H9BO2S/c1-6-2-3-8-7(4-6)5-9(13-8)10(11)12/h2-5,11-12H,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase				J Med Chem 50: 5644-54 (2007) Article DOI: 10.1021/jm070643q BindingDB Entry DOI: 10.7270/Q21N80W5
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM39812 (Acylglycineboronic acid, 10) Show SMILES CCOc1ccc2ccccc2c1C(=O)NCB(O)O Show InChI InChI=1S/C14H16BNO4/c1-2-20-12-8-7-10-5-3-4-6-11(10)13(12)14(17)16-9-15(18)19/h3-8,18-19H,2,9H2,1H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Northwestern University					Assay Description Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli.				Chem Biol 8: 17-31 (2001) Article DOI: 10.1016/S1074-5521(00)00052-1 BindingDB Entry DOI: 10.7270/Q2CC0Z3R
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50225379 (CHEMBL235292 | pinacol 5-[(3-nitrophenylamino)meth...) Show SMILES OB(O)c1cc2cc(CNc3cccc(c3)[N+]([O-])=O)ccc2s1 Show InChI InChI=1S/C15H13BN2O4S/c19-16(20)15-7-11-6-10(4-5-14(11)23-15)9-17-12-2-1-3-13(8-12)18(21)22/h1-8,17,19-20H,9H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase				J Med Chem 50: 5644-54 (2007) Article DOI: 10.1021/jm070643q BindingDB Entry DOI: 10.7270/Q21N80W5
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50225378 (CHEMBL235073 | pinacol 5-diformylaminomethylbenzo[...) Show SMILES OB(O)c1cc2cc(CN(C=O)C=O)ccc2s1 Show InChI InChI=1S/C11H10BNO4S/c14-6-13(7-15)5-8-1-2-10-9(3-8)4-11(18-10)12(16)17/h1-4,6-7,16-17H,5H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase				J Med Chem 50: 5644-54 (2007) Article DOI: 10.1021/jm070643q BindingDB Entry DOI: 10.7270/Q21N80W5
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50516761 (CHEMBL3286879) Show SMILES OB(O)c1sc2ccccc2c1\C=C\C(O)=O Show InChI InChI=1S/C11H9BO4S/c13-10(14)6-5-8-7-3-1-2-4-9(7)17-11(8)12(15)16/h1-6,15-16H,(H,13,14)/b6-5+	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
S£o Paulo State University Curated by ChEMBL					Assay Description Inhibition of bacterial beta lactamase TEM-1				Eur J Med Chem 179: 791-804 (2019) Article DOI: 10.1016/j.ejmech.2019.06.092 BindingDB Entry DOI: 10.7270/Q28055ZM
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50225392 (5-hydroxymethylbenzo[b]thiophen-2-ylboronic acid |...) Show SMILES OB(O)c1cc2cc(O)ccc2s1 Show InChI InChI=1S/C8H7BO3S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4,10-12H	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase				J Med Chem 50: 5644-54 (2007) Article DOI: 10.1021/jm070643q BindingDB Entry DOI: 10.7270/Q21N80W5
					More data for this Ligand-Target Pair
Beta-lactamase [24-383] (Acinetobacter baumannii (g-Proteobacteria))	BDBM152695 (S02030) Show SMILES OB(O)[C@H](Cn1cc(nn1)C(O)=O)NC(=O)Cc1cccs1 |r| Show InChI InChI=1S/C11H13BN4O5S/c17-10(4-7-2-1-3-22-7)13-9(12(20)21)6-16-5-8(11(18)19)14-15-16/h1-3,5,9,20-21H,4,6H2,(H,13,17)(H,18,19)/t9-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	44.5	-42.0	n/a	590	n/a	n/a	n/a	7.4	25
Grand Valley State University					Assay Description Steady state kinetics assays were performed on a Cary 100 UV−vis spectrophotometer in 10 mM phosphate-buffered saline (pH 7.4) with 2 nM ADC-7....				Biochemistry 53: 7670-9 (2014) Article DOI: 10.1021/bi500887n BindingDB Entry DOI: 10.7270/Q2GM8614
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase TEM (Escherichia coli)	BDBM50225380 (CHEMBL235308 | pinacol 5-[(phenylamino3-boronicaci...) Show SMILES OB(O)c1cc2cc(CNc3cccc(c3)B(O)O)ccc2s1 Show InChI InChI=1S/C15H15B2NO4S/c19-16(20)12-2-1-3-13(8-12)18-9-10-4-5-14-11(6-10)7-15(23-14)17(21)22/h1-8,18-22H,9H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase				J Med Chem 50: 5644-54 (2007) Article DOI: 10.1021/jm070643q BindingDB Entry DOI: 10.7270/Q21N80W5
					More data for this Ligand-Target Pair
Beta-lactamase OXA-1 (Escherichia coli (Enterobacteria))	BDBM227598 (Penem 1) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CSCn2n1 |r,t:3| Show InChI InChI=1S/C12H9N3O3S2/c16-10-8(11-15(10)9(4-20-11)12(17)18)2-6-1-7-3-19-5-14(7)13-6/h1-2,4,11H,3,5H2,(H,17,18)/p-1/b8-2-/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	30	n/a	n/a	n/a	n/a	7.2	n/a
Case Western Reserve University					Assay Description Steady-state kinetics were performed on an Agilent 8453 diode array spectrophotometer (Palo Alto, CA) in 50 mM sodium phosphate buffer (pH 7.2) suppl...				J Biol Chem 289: 6152-64 (2014) Article DOI: 10.1074/jbc.M113.533562 BindingDB Entry DOI: 10.7270/Q2CN72SC
					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 (Escherichia coli)	BDBM39849 (Amide and sulfonamide derivatives, 33) Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2cccc(c2)B(O)O)c1 Show InChI InChI=1S/C18H18B2N2O8S2/c23-19(24)13-4-1-6-15(10-13)21-31(27,28)17-8-3-9-18(12-17)32(29,30)22-16-7-2-5-14(11-16)20(25)26/h1-12,21-26H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Northwestern University					Assay Description Inhibition assay against beta lactamase enzymes.				Chem Biol 8: 593-611 (2001) Article DOI: 10.1016/S1074-5521(01)00034-5 BindingDB Entry DOI: 10.7270/Q27M06BZ
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM39815 (Acylglycineboronic acid, 14) Show SMILES CC(C)(C)OC(=O)C(C)(C)O\N=C(\C(=O)NCB(O)O)c1csc(S)n1 Show InChI InChI=1S/C14H22BN3O6S2/c1-13(2,3)23-11(20)14(4,5)24-18-9(8-6-26-12(25)17-8)10(19)16-7-15(21)22/h6,21-22H,7H2,1-5H3,(H,16,19)(H,17,25)/b18-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Northwestern University					Assay Description Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli.				Chem Biol 8: 17-31 (2001) Article DOI: 10.1016/S1074-5521(00)00052-1 BindingDB Entry DOI: 10.7270/Q2CC0Z3R
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM39856 (Amide and sulfonamide derivatives, 41) Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cccc(NS(=O)(=O)c3ccc(cc3)C(O)=O)c2)c1 Show InChI InChI=1S/C19H17BN2O8S2/c23-19(24)13-7-9-17(10-8-13)31(27,28)22-16-5-2-6-18(12-16)32(29,30)21-15-4-1-3-14(11-15)20(25)26/h1-12,21-22,25-26H,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Northwestern University					Assay Description Inhibition assay against beta lactamase enzymes.				Chem Biol 8: 593-611 (2001) Article DOI: 10.1016/S1074-5521(01)00034-5 BindingDB Entry DOI: 10.7270/Q27M06BZ
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50339870 (2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl...) Show SMILES OB1OCc2ccc(Oc3ncc(cn3)C(O)=O)cc12 Show InChI InChI=1S/C12H9BN2O5/c16-11(17)8-4-14-12(15-5-8)20-9-2-1-7-6-19-13(18)10(7)3-9/h1-5,18H,6H2,(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anacor Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 21: 2533-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.024 BindingDB Entry DOI: 10.7270/Q2G44QK5
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50115616 (3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PH...) Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cc(cs2)S(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C16H14BNO6S3/c19-17(20)12-5-4-6-13(9-12)18-27(23,24)16-10-15(11-25-16)26(21,22)14-7-2-1-3-8-14/h1-11,18-20H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem	MMDB PDB PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity of the compound towards AmpC beta-lactamase binding site from Escherichia coli				J Med Chem 45: 3222-34 (2002) BindingDB Entry DOI: 10.7270/Q2CN737M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase (Escherichia coli)	BDBM50115616 (3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PH...) Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cc(cs2)S(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C16H14BNO6S3/c19-17(20)12-5-4-6-13(9-12)18-27(23,24)16-10-15(11-25-16)26(21,22)14-7-2-1-3-8-14/h1-11,18-20H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Apparent inhibition constant against Escherichia coli AmpC beta-lactamase				Bioorg Med Chem Lett 14: 3979-83 (2004) Article DOI: 10.1016/j.bmcl.2004.05.054 BindingDB Entry DOI: 10.7270/Q2XW4J8P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase TEM (Escherichia coli)	BDBM50225383 (CHEMBL236203 | pinacol 5-phenylsulphanylmethylbenz...) Show SMILES OB(O)c1cc2cc(CSc3ccccc3)ccc2s1 Show InChI InChI=1S/C15H13BO2S2/c17-16(18)15-9-12-8-11(6-7-14(12)20-15)10-19-13-4-2-1-3-5-13/h1-9,17-18H,10H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase				J Med Chem 50: 5644-54 (2007) Article DOI: 10.1021/jm070643q BindingDB Entry DOI: 10.7270/Q21N80W5
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50115616 (3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PH...) Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cc(cs2)S(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C16H14BNO6S3/c19-17(20)12-5-4-6-13(9-12)18-27(23,24)16-10-15(11-25-16)26(21,22)14-7-2-1-3-8-14/h1-11,18-20H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Northwestern University					Assay Description Inhibition assay against beta lactamase enzymes.				Chem Biol 8: 593-611 (2001) Article DOI: 10.1016/S1074-5521(01)00034-5 BindingDB Entry DOI: 10.7270/Q27M06BZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase TEM (Escherichia coli)	BDBM50225389 (5-imidazol-1-yl-methylbenzo[b]thiophen-2-ylboronic...) Show SMILES OB(O)c1cc2cc(Cn3ccnc3)ccc2s1 Show InChI InChI=1S/C12H11BN2O2S/c16-13(17)12-6-10-5-9(1-2-11(10)18-12)7-15-4-3-14-8-15/h1-6,8,16-17H,7H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase				J Med Chem 50: 5644-54 (2007) Article DOI: 10.1021/jm070643q BindingDB Entry DOI: 10.7270/Q21N80W5
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50225377 (CHEMBL237390 | pinacol 5-(3,4-dichlorophenoxymethy...) Show SMILES OB(O)c1cc2cc(COc3ccc(Cl)c(Cl)c3)ccc2s1 Show InChI InChI=1S/C15H11BCl2O3S/c17-12-3-2-11(7-13(12)18)21-8-9-1-4-14-10(5-9)6-15(22-14)16(19)20/h1-7,19-20H,8H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase				J Med Chem 50: 5644-54 (2007) Article DOI: 10.1021/jm070643q BindingDB Entry DOI: 10.7270/Q21N80W5
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacillus cereus)	BDBM50174303 (CHEMBL3809419) Show SMILES OC(=O)[C@H](S)c1ccccc1 |r| Show InChI InChI=1S/C8H8O2S/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,7,11H,(H,9,10)/t7-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Competitive inhibition of Bacillus cereus 569/H/9 metallo-beta-lactamase Bc2 expressed in Escherichia coli GI724 cells using nitrocefin as substrate ...				ACS Med Chem Lett 7: 413-7 (2016) Article DOI: 10.1021/acsmedchemlett.5b00495 BindingDB Entry DOI: 10.7270/Q2GQ70PT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase (Escherichia coli)	BDBM39819 (Amide and sulfonamide derivatives, 3) Show SMILES Cc1noc(C)c1S(=O)(=O)Nc1cccc(c1)B(O)O Show InChI InChI=1S/C11H13BN2O5S/c1-7-11(8(2)19-13-7)20(17,18)14-10-5-3-4-9(6-10)12(15)16/h3-6,14-16H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Northwestern University					Assay Description Inhibition assay against beta lactamase enzymes.				Chem Biol 8: 593-611 (2001) Article DOI: 10.1016/S1074-5521(01)00034-5 BindingDB Entry DOI: 10.7270/Q27M06BZ
					More data for this Ligand-Target Pair
Beta-lactamase (Acinetobacter baumannii)	BDBM50335563 ((6R,7R)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-(...) Show SMILES CO[C@]1(NC(=O)Cc2cccs2)[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O |r,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)/t14-,16+/m1/s1	PDB UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Activity of Acinetobacter baumannii ADC-33 beta-lactamase				Antimicrob Agents Chemother 54: 3484-8 (2010) Article DOI: 10.1128/AAC.00050-10 BindingDB Entry DOI: 10.7270/Q2348KM2
					More data for this Ligand-Target Pair
Metallo-beta-lactamase L1 type 3 (Stenotrophomonas maltophilia)	BDBM50092976 (CHEMBL3586478) Show SMILES CSCC[C@H](NC(=O)Cc1cccs1)C(=O)SCC(O)=O |r| Show InChI InChI=1S/C13H17NO4S3/c1-19-6-4-10(13(18)21-8-12(16)17)14-11(15)7-9-3-2-5-20-9/h2-3,5,10H,4,6-8H2,1H3,(H,14,15)(H,16,17)/t10-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Mixed-type inhibition of Stenotrophomonas maltophilia L1 overexpressed in Escherichia coli BL21 (DE3) using imipenem as substrate incubated for 30 mi...				ACS Med Chem Lett 6: 660-4 (2015) Article DOI: 10.1021/acsmedchemlett.5b00098 BindingDB Entry DOI: 10.7270/Q2M04769
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