Compile Data Set for Download or QSAR

Found 4993 hits Enz. Inhib. hit(s) with Target = 'Metallo-beta-lactamase type 2'   

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
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)
Metallo-beta-lactamase type 2 (Aeromonas hydrophila)	BDBM50322609 (CHEMBL1170023 | diisopropyl mercapto(phenyl)methyl...) Show SMILES CC(C)OP(=O)(OC(C)C)C(S)c1ccccc1 Show InChI InChI=1S/C13H21O3PS/c1-10(2)15-17(14,16-11(3)4)13(18)12-8-6-5-7-9-12/h5-11,13,18H,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Inhibition of Aeromonas hydrophila cphA				J Med Chem 53: 4862-76 (2010) Article DOI: 10.1021/jm100213c BindingDB Entry DOI: 10.7270/Q2057G34
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM50174181 (CHEMBL3809806) Show SMILES CCCCc1ccc(NC(=O)CSc2nnc([nH]2)-c2ccccc2N)cc1 Show InChI InChI=1S/C20H23N5OS/c1-2-3-6-14-9-11-15(12-10-14)22-18(26)13-27-20-23-19(24-25-20)16-7-4-5-8-17(16)21/h4-5,7-12H,2-3,6,13,21H2,1H3,(H,22,26)(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	490	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 Klebsiella pneumoniae metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21(DE3) cells assessed as hydrolysis of c...				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
Metallo-beta-lactamase type 2 (Aeromonas hydrophila)	BDBM50322606 (2-(Sulfanylmethyl)phenylphosphonic acid | CHEMBL11...) Show SMILES OP(O)(=O)c1ccccc1CS Show InChI InChI=1S/C7H9O3PS/c8-11(9,10)7-4-2-1-3-6(7)5-12/h1-4,12H,5H2,(H2,8,9,10)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Inhibition of Aeromonas hydrophila cphA				J Med Chem 53: 4862-76 (2010) Article DOI: 10.1021/jm100213c BindingDB Entry DOI: 10.7270/Q2057G34
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM50131078 (3-formylchromones | 4-Oxo-4H-chromene-3-carbaldehy...) Show SMILES O=Cc1coc2ccccc2c1=O Show InChI InChI=1S/C10H6O3/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-6H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Time-dependent inhibition of wild type Klebsiella pneumoniae 6xHis-tagged metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21 (DE3)pLysS				Bioorg Med Chem 24: 2947-2953 (2016) Article DOI: 10.1016/j.bmc.2016.04.064 BindingDB Entry DOI: 10.7270/Q2XS5X91
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM50174175 (CHEMBL3808813) Show SMILES Oc1ccc(cc1)-c1nnc(SCC(=O)Nc2cccc(Cl)c2)[nH]1 Show InChI InChI=1S/C16H13ClN4O2S/c17-11-2-1-3-12(8-11)18-14(23)9-24-16-19-15(20-21-16)10-4-6-13(22)7-5-10/h1-8,22H,9H2,(H,18,23)(H,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	630	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 Klebsiella pneumoniae metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21(DE3) cells assessed as hydrolysis of c...				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
Metallo-beta-lactamase type 2 (Aeromonas hydrophila)	BDBM50322602 (CHEMBL1172743 | alpha-Sulfanyl(4-fluorobenzyl)phos...) Show SMILES OP(O)(O)C(=S)c1ccc(F)cc1 Show InChI InChI=1S/C7H8FO3PS/c8-6-3-1-5(2-4-6)7(13)12(9,10)11/h1-4,9-12H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Inhibition of Aeromonas hydrophila cphA				J Med Chem 53: 4862-76 (2010) Article DOI: 10.1021/jm100213c BindingDB Entry DOI: 10.7270/Q2057G34
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacillus cereus)	BDBM50174264 (CHEMBL3808751) 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-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem	Article PubMed	1.28E+3	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
Metallo-beta-lactamase type 2 (Aeromonas hydrophila)	BDBM50322605 (CHEMBL1173337 | Diisopropyl 2-(sulfanylmethyl)phen...) Show SMILES CC(C)OP(=O)(OC(C)C)c1ccccc1CS Show InChI InChI=1S/C13H21O3PS/c1-10(2)15-17(14,16-11(3)4)13-8-6-5-7-12(13)9-18/h5-8,10-11,18H,9H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Inhibition of Aeromonas hydrophila cphA				J Med Chem 53: 4862-76 (2010) Article DOI: 10.1021/jm100213c BindingDB Entry DOI: 10.7270/Q2057G34
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metallo-beta-lactamase type 2 (Aeromonas hydrophila)	BDBM50322607 (CHEMBL1173339 | diisopropyl 1-mercaptopropylphosph...) Show SMILES CCC(S)P(=O)(OC(C)C)OC(C)C Show InChI InChI=1S/C9H21O3PS/c1-6-9(14)13(10,11-7(2)3)12-8(4)5/h7-9,14H,6H2,1-5H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Inhibition of Aeromonas hydrophila cphA				J Med Chem 53: 4862-76 (2010) Article DOI: 10.1021/jm100213c BindingDB Entry DOI: 10.7270/Q2057G34
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Aeromonas hydrophila)	BDBM50322612 (CHEMBL1173797 | alpha-Sulfanyl(2,4-dichlorobenzyl)...) Show SMILES OP(O)(O)C(=S)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C7H7Cl2O3PS/c8-4-1-2-5(6(9)3-4)7(14)13(10,11)12/h1-3,10-13H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Inhibition of Aeromonas hydrophila cphA				J Med Chem 53: 4862-76 (2010) Article DOI: 10.1021/jm100213c BindingDB Entry DOI: 10.7270/Q2057G34
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM50452815 (CHEMBL2005280) Show SMILES OC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CC1 Show InChI InChI=1S/C12H21N3O6/c16-10(17)7-13-1-2-14(8-11(18)19)5-6-15(4-3-13)9-12(20)21/h1-9H2,(H,16,17)(H,18,19)(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	5.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Non-competitive inhibition of NDM1 in Escherichia coli BL21 (DE3) using MEPM substrate incubated for 15 mins by UV spectroscopy based L-B plot				Bioorg Med Chem Lett 28: 214-221 (2018) Article DOI: 10.1016/j.bmcl.2017.10.074 BindingDB Entry DOI: 10.7270/Q20R9S04
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM50452814 (CHEMBL4212352) Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[#16-]-[#6](=S)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#16-])=S)-[#6](-[#16-])=S Show InChI InChI=1S/C9H15N3S6/c13-7(14)10-1-2-11(8(15)16)5-6-12(4-3-10)9(17)18/h1-6H2,(H,13,14)(H,15,16)(H,17,18)/p-3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Non-competitive inhibition of NDM1 in Escherichia coli BL21 (DE3) using MEPM substrate incubated for 15 mins by UV spectroscopy based L-B plot				Bioorg Med Chem Lett 28: 214-221 (2018) Article DOI: 10.1016/j.bmcl.2017.10.074 BindingDB Entry DOI: 10.7270/Q20R9S04
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Aeromonas hydrophila)	BDBM50322604 (2-mercaptophenylphosphonic acid | CHEMBL1173336) Show SMILES OP(O)(=O)c1ccccc1S Show InChI InChI=1S/C6H7O3PS/c7-10(8,9)5-3-1-2-4-6(5)11/h1-4,11H,(H2,7,8,9)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Inhibition of Aeromonas hydrophila cphA				J Med Chem 53: 4862-76 (2010) Article DOI: 10.1021/jm100213c BindingDB Entry DOI: 10.7270/Q2057G34
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Aeromonas hydrophila)	BDBM50270748 (CHEMBL4125968) Show SMILES O=C(Nc1c(C#N)c(c(-c2ccccc2)n1Cc1ccccc1)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H23N3O/c32-21-27-28(24-15-7-2-8-16-24)29(25-17-9-3-10-18-25)34(22-23-13-5-1-6-14-23)30(27)33-31(35)26-19-11-4-12-20-26/h1-20H,22H2,(H,33,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Competitive inhibition of Aeromonas hydrophila recombinant CphA expressed in Escherichia coli BL21(DE3) using meropenem as substrate by UV/Vis multi-...				Eur J Med Chem 137: 351-364 (2017) Article DOI: 10.1016/j.ejmech.2017.05.061 BindingDB Entry DOI: 10.7270/Q2R213WD
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM50484536 (CHEMBL1935525) Show SMILES NC(=S)NNC(=O)c1ccc(cc1)C(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C15H12N4O4S/c16-15(24)18-17-14(21)11-3-1-9(2-4-11)13(20)10-5-7-12(8-6-10)19(22)23/h1-8H,(H,17,21)(H3,16,18,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Competitive inhibition of Pseudomonas aeruginosa beta-lactamase IMP-1 assessed as formation of 4-nitrothiophenolate at pH 7 using CENTA as chromogeni...				Bioorg Med Chem Lett 22: 380-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.116 BindingDB Entry DOI: 10.7270/Q2D79F7P
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Aeromonas hydrophila)	BDBM50322610 (CHEMBL1170424 | alpha-Sulfanylbenzylphosphonic aci...) Show SMILES OP(O)(O)C(=S)c1ccccc1 Show InChI InChI=1S/C7H9O3PS/c8-11(9,10)7(12)6-4-2-1-3-5-6/h1-5,8-11H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Inhibition of Aeromonas hydrophila cphA				J Med Chem 53: 4862-76 (2010) Article DOI: 10.1021/jm100213c BindingDB Entry DOI: 10.7270/Q2057G34
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM50484377 (CHEMBL1910737) Show SMILES COc1ccc(cc1)-n1c(c(-c2ccccc2)c2c(Cl)ncnc12)-c1ccccc1 Show InChI InChI=1S/C25H18ClN3O/c1-30-20-14-12-19(13-15-20)29-23(18-10-6-3-7-11-18)21(17-8-4-2-5-9-17)22-24(26)27-16-28-25(22)29/h2-16H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helwan University Curated by ChEMBL					Assay Description Competitive inhibition of Pseudomonas aeruginosa metallo-beta-lactamase IMP-1 expressed in Escherichia coli BL21(DE3) using CENTA as substrate by spe...				Eur J Med Chem 46: 6075-82 (2011) Article DOI: 10.1016/j.ejmech.2011.10.030 BindingDB Entry DOI: 10.7270/Q26M39PH
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Aeromonas hydrophila)	BDBM50322600 (CHEMBL1173799 | alpha-Sulfanyl(4-bromobenzyl)phosp...) Show SMILES OP(O)(O)C(=S)c1ccc(Br)cc1 Show InChI InChI=1S/C7H8BrO3PS/c8-6-3-1-5(2-4-6)7(13)12(9,10)11/h1-4,9-12H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Inhibition of Aeromonas hydrophila cphA				J Med Chem 53: 4862-76 (2010) Article DOI: 10.1021/jm100213c BindingDB Entry DOI: 10.7270/Q2057G34
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM50484533 (CHEMBL1935522) Show SMILES NC(=S)NNC(=O)c1ccc(cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C15H13N3O2S/c16-15(21)18-17-14(20)12-8-6-11(7-9-12)13(19)10-4-2-1-3-5-10/h1-9H,(H,17,20)(H3,16,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Competitive inhibition of Pseudomonas aeruginosa beta-lactamase IMP-1 assessed as formation of 4-nitrothiophenolate at pH 7 using CENTA as chromogeni...				Bioorg Med Chem Lett 22: 380-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.116 BindingDB Entry DOI: 10.7270/Q2D79F7P
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM50484534 (CHEMBL1935526) Show SMILES NC(=S)NNC(=O)c1ccc(cc1)C(=O)c1ccccc1Cl Show InChI InChI=1S/C15H12ClN3O2S/c16-12-4-2-1-3-11(12)13(20)9-5-7-10(8-6-9)14(21)18-19-15(17)22/h1-8H,(H,18,21)(H3,17,19,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Competitive inhibition of Pseudomonas aeruginosa beta-lactamase IMP-1 assessed as formation of 4-nitrothiophenolate at pH 7 using CENTA as chromogeni...				Bioorg Med Chem Lett 22: 380-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.116 BindingDB Entry DOI: 10.7270/Q2D79F7P
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Aeromonas hydrophila)	BDBM50322608 (CHEMBL1172388 | alpha-Sulfanylpropylphosphonic aci...) Show SMILES CCC(=S)P(O)(O)O Show InChI InChI=1S/C3H9O3PS/c1-2-3(8)7(4,5)6/h4-7H,2H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Inhibition of Aeromonas hydrophila cphA				J Med Chem 53: 4862-76 (2010) Article DOI: 10.1021/jm100213c BindingDB Entry DOI: 10.7270/Q2057G34
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Aeromonas hydrophila)	BDBM50322613 (CHEMBL1173798 | alpha-Sulfanyl(2-methoxybenzyl)pho...) Show SMILES COc1ccccc1C(=S)P(O)(O)O Show InChI InChI=1S/C8H11O4PS/c1-12-7-5-3-2-4-6(7)8(14)13(9,10)11/h2-5,9-11,13H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Inhibition of Aeromonas hydrophila cphA				J Med Chem 53: 4862-76 (2010) Article DOI: 10.1021/jm100213c BindingDB Entry DOI: 10.7270/Q2057G34
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM50484375 (CHEMBL1910741) Show SMILES Cc1ccc(cc1)-n1c(c(-c2ccccc2)c2c1ncn1c2n[nH]c1=S)-c1ccccc1 Show InChI InChI=1S/C26H19N5S/c1-17-12-14-20(15-13-17)31-23(19-10-6-3-7-11-19)21(18-8-4-2-5-9-18)22-24(31)27-16-30-25(22)28-29-26(30)32/h2-16H,1H3,(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helwan University Curated by ChEMBL					Assay Description Competitive inhibition of Pseudomonas aeruginosa metallo-beta-lactamase IMP-1 expressed in Escherichia coli BL21(DE3) using CENTA as substrate by spe...				Eur J Med Chem 46: 6075-82 (2011) Article DOI: 10.1016/j.ejmech.2011.10.030 BindingDB Entry DOI: 10.7270/Q26M39PH
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM50484531 (CHEMBL1935524) Show SMILES NC(=S)NNC(=O)c1ccc(cc1)C(=O)c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C15H12N4O4S/c16-15(24)18-17-14(21)10-6-4-9(5-7-10)13(20)11-2-1-3-12(8-11)19(22)23/h1-8H,(H,17,21)(H3,16,18,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Competitive inhibition of Pseudomonas aeruginosa beta-lactamase IMP-1 assessed as formation of 4-nitrothiophenolate at pH 7 using CENTA as chromogeni...				Bioorg Med Chem Lett 22: 380-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.116 BindingDB Entry DOI: 10.7270/Q2D79F7P
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM50548231 (CHEMBL4753599) Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6]-[#6]-n1[se;v2]c2ccccc2c1=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type N-terminal His6-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21 assessed as inhibition constant using n...				Citation and Details Article DOI: 10.1016/j.ejmech.2018.06.007 BindingDB Entry DOI: 10.7270/Q2SB49CC
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM50484535 (CHEMBL1935523) Show SMILES NC(=S)NNC(=O)c1ccc(Cc2ccccc2)cc1 Show InChI InChI=1S/C15H15N3OS/c16-15(20)18-17-14(19)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,19)(H3,16,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Competitive inhibition of Pseudomonas aeruginosa beta-lactamase IMP-1 assessed as formation of 4-nitrothiophenolate at pH 7 using CENTA as chromogeni...				Bioorg Med Chem Lett 22: 380-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.116 BindingDB Entry DOI: 10.7270/Q2D79F7P
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM50484374 (CHEMBL1910740) Show SMILES Cc1ccc(cc1)-n1c(c(-c2ccccc2)c2c(N\N=C\c3ccccc3)ncnc12)-c1ccccc1 Show InChI InChI=1S/C32H25N5/c1-23-17-19-27(20-18-23)37-30(26-15-9-4-10-16-26)28(25-13-7-3-8-14-25)29-31(33-22-34-32(29)37)36-35-21-24-11-5-2-6-12-24/h2-22H,1H3,(H,33,34,36)/b35-21+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helwan University Curated by ChEMBL					Assay Description Competitive inhibition of Pseudomonas aeruginosa metallo-beta-lactamase IMP-1 expressed in Escherichia coli BL21(DE3) using CENTA as substrate by spe...				Eur J Med Chem 46: 6075-82 (2011) Article DOI: 10.1016/j.ejmech.2011.10.030 BindingDB Entry DOI: 10.7270/Q26M39PH
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM50484372 (CHEMBL1910736) Show SMILES Cc1ccc(cc1)-n1c(c(-c2ccccc2)c2c(Cl)ncnc12)-c1ccccc1 Show InChI InChI=1S/C25H18ClN3/c1-17-12-14-20(15-13-17)29-23(19-10-6-3-7-11-19)21(18-8-4-2-5-9-18)22-24(26)27-16-28-25(22)29/h2-16H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helwan University Curated by ChEMBL					Assay Description Competitive inhibition of Pseudomonas aeruginosa metallo-beta-lactamase IMP-1 expressed in Escherichia coli BL21(DE3) using CENTA as substrate by spe...				Eur J Med Chem 46: 6075-82 (2011) Article DOI: 10.1016/j.ejmech.2011.10.030 BindingDB Entry DOI: 10.7270/Q26M39PH
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM50484530 (CHEMBL1576619) Show SMILES NC(S)=NNC(=O)c1ccccc1 Show InChI InChI=1S/C8H9N3OS/c9-8(13)11-10-7(12)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H3,9,11,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Competitive inhibition of Pseudomonas aeruginosa beta-lactamase IMP-1 assessed as formation of 4-nitrothiophenolate at pH 7 using CENTA as chromogeni...				Bioorg Med Chem Lett 22: 380-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.116 BindingDB Entry DOI: 10.7270/Q2D79F7P
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Aeromonas hydrophila)	BDBM50322601 (CHEMBL1173800 | alpha-Sulfanyl(4-chlorobenzyl)phos...) Show SMILES OP(O)(O)C(=S)c1ccc(Cl)cc1 Show InChI InChI=1S/C7H8ClO3PS/c8-6-3-1-5(2-4-6)7(13)12(9,10)11/h1-4,9-12H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Inhibition of Aeromonas hydrophila cphA				J Med Chem 53: 4862-76 (2010) Article DOI: 10.1021/jm100213c BindingDB Entry DOI: 10.7270/Q2057G34
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM50484376 (CHEMBL1910739) Show SMILES [#6]-[#8]-c1ccc(cc1)-n1c2-[#7]=[#6]-[#7]\[#6](=[#6](\C#N)C#N)-c2c(c1-c1ccccc1)-c1ccccc1 |c:11| Show InChI InChI=1S/C28H19N5O/c1-34-23-14-12-22(13-15-23)33-27(20-10-6-3-7-11-20)24(19-8-4-2-5-9-19)25-26(21(16-29)17-30)31-18-32-28(25)33/h2-15,18H,1H3,(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helwan University Curated by ChEMBL					Assay Description Competitive inhibition of Pseudomonas aeruginosa metallo-beta-lactamase IMP-1 expressed in Escherichia coli BL21(DE3) using CENTA as substrate by spe...				Eur J Med Chem 46: 6075-82 (2011) Article DOI: 10.1016/j.ejmech.2011.10.030 BindingDB Entry DOI: 10.7270/Q26M39PH
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM50484373 (CHEMBL1910738) Show SMILES Cc1ccc(cc1)-n1cc(-c2ccccc2)c2c(Cl)ncnc12 Show InChI InChI=1S/C19H14ClN3/c1-13-7-9-15(10-8-13)23-11-16(14-5-3-2-4-6-14)17-18(20)21-12-22-19(17)23/h2-12H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helwan University Curated by ChEMBL					Assay Description Competitive inhibition of Pseudomonas aeruginosa metallo-beta-lactamase IMP-1 expressed in Escherichia coli BL21(DE3) using CENTA as substrate by spe...				Eur J Med Chem 46: 6075-82 (2011) Article DOI: 10.1016/j.ejmech.2011.10.030 BindingDB Entry DOI: 10.7270/Q26M39PH
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Aeromonas hydrophila)	BDBM50322611 (5-Fluoro-2-sulfanyl-phenylphosphonic acid | CHEMBL...) Show SMILES OP(O)(=O)c1cc(F)ccc1S Show InChI InChI=1S/C6H6FO3PS/c7-4-1-2-6(12)5(3-4)11(8,9)10/h1-3,12H,(H2,8,9,10)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Inhibition of Aeromonas hydrophila cphA				J Med Chem 53: 4862-76 (2010) Article DOI: 10.1021/jm100213c BindingDB Entry DOI: 10.7270/Q2057G34
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM50484532 (CHEMBL1935527) Show SMILES Cc1ccc(cc1)C(=O)c1ccc(cc1)C(=O)NNC(N)=S Show InChI InChI=1S/C16H15N3O2S/c1-10-2-4-11(5-3-10)14(20)12-6-8-13(9-7-12)15(21)18-19-16(17)22/h2-9H,1H3,(H,18,21)(H3,17,19,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Competitive inhibition of Pseudomonas aeruginosa beta-lactamase IMP-1 assessed as formation of 4-nitrothiophenolate at pH 7 using CENTA as chromogeni...				Bioorg Med Chem Lett 22: 380-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.116 BindingDB Entry DOI: 10.7270/Q2D79F7P
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Aeromonas hydrophila)	BDBM50270747 (CHEMBL1172302) Show SMILES Nc1c(C#N)c(c(-c2ccccc2)n1Cc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C24H19N3/c25-16-21-22(19-12-6-2-7-13-19)23(20-14-8-3-9-15-20)27(24(21)26)17-18-10-4-1-5-11-18/h1-15H,17,26H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Competitive inhibition of Aeromonas hydrophila recombinant CphA expressed in Escherichia coli BL21(DE3) using meropenem as substrate by UV/Vis multi-...				Eur J Med Chem 137: 351-364 (2017) Article DOI: 10.1016/j.ejmech.2017.05.061 BindingDB Entry DOI: 10.7270/Q2R213WD
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM426626 (US10543221, Compound 994942 | US10543221, Formula ...) Show SMILES Cc1cc(Br)c2c(CP(O)(O)=O)cc(=O)oc2c1 Show InChI InChI=1S/C11H10BrO5P/c1-6-2-8(12)11-7(5-18(14,15)16)4-10(13)17-9(11)3-6/h2-4H,5H2,1H3,(H2,14,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida; The Regents of the University of California US Patent					Assay Description Expression and Purification of Beta-Lactamases. For his tag KPC-2 beta-lactamase, bacteria were grown overnight at 30 C with shaking in 50 mL LB brot...				US Patent US10543221 (2020) BindingDB Entry DOI: 10.7270/Q2SF2ZJR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM50484529 (CHEMBL1935512) Show SMILES Sc1nnc([nH]1)-c1ccc(cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C15H11N3OS/c19-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14-16-15(20)18-17-14/h1-9H,(H2,16,17,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Competitive inhibition of Pseudomonas aeruginosa beta-lactamase IMP-1 assessed as formation of 4-nitrothiophenolate at pH 7 using CENTA as chromogeni...				Bioorg Med Chem Lett 22: 380-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.116 BindingDB Entry DOI: 10.7270/Q2D79F7P
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM50131078 (3-formylchromones | 4-Oxo-4H-chromene-3-carbaldehy...) Show SMILES O=Cc1coc2ccccc2c1=O Show InChI InChI=1S/C10H6O3/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-6H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	7.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Time-dependent inhibition of wild type Klebsiella pneumoniae 6xHis-tagged metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21 (DE3)pLysS ...				Bioorg Med Chem 24: 2947-2953 (2016) Article DOI: 10.1016/j.bmc.2016.04.064 BindingDB Entry DOI: 10.7270/Q2XS5X91
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM426620 (US10543221, Compound 72588 | US10543221, Formula ) Show SMILES Cc1cc(C)c2c(CP(O)(O)=O)cc(=O)oc2c1 Show InChI InChI=1S/C12H13O5P/c1-7-3-8(2)12-9(6-18(14,15)16)5-11(13)17-10(12)4-7/h3-5H,6H2,1-2H3,(H2,14,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB US Patent	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida; The Regents of the University of California US Patent					Assay Description Expression and Purification of Beta-Lactamases. For his tag KPC-2 beta-lactamase, bacteria were grown overnight at 30 C with shaking in 50 mL LB brot...				US Patent US10543221 (2020) BindingDB Entry DOI: 10.7270/Q2SF2ZJR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM50129065 (CHEMBL3278535) Show SMILES O=c1c(coc2ccccc12)C#N Show InChI InChI=1S/C10H5NO2/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-4,6H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.86E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Competitive inhibition of His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells using imipinem as substrate				Bioorg Med Chem Lett 26: 1973-7 (2016) Article DOI: 10.1016/j.bmcl.2016.03.004 BindingDB Entry DOI: 10.7270/Q2FT8NXX
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM50129065 (CHEMBL3278535) Show SMILES O=c1c(coc2ccccc12)C#N Show InChI InChI=1S/C10H5NO2/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-4,6H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.86E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Competitive inhibition of His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells using imipinem as substrate				Bioorg Med Chem Lett 26: 1973-7 (2016) Article DOI: 10.1016/j.bmcl.2016.03.004 BindingDB Entry DOI: 10.7270/Q2FT8NXX
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Aeromonas hydrophila)	BDBM50322603 (CHEMBL1172387 | diisopropyl 2-mercaptophenylphosph...) Show SMILES CC(C)OP(=O)(OC(C)C)c1ccccc1S Show InChI InChI=1S/C12H19O3PS/c1-9(2)14-16(13,15-10(3)4)11-7-5-6-8-12(11)17/h5-10,17H,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Inhibition of Aeromonas hydrophila cphA				J Med Chem 53: 4862-76 (2010) Article DOI: 10.1021/jm100213c BindingDB Entry DOI: 10.7270/Q2057G34
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Aeromonas hydrophila)	BDBM50270755 (CHEMBL4126112) Show SMILES O=C(Nc1c(C#N)c(c(-c2ccccc2)n1Cc1ccccc1)-c1ccccc1)c1ccc(cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C38H27N3O2/c39-25-33-34(28-15-7-2-8-16-28)35(29-17-9-3-10-18-29)41(26-27-13-5-1-6-14-27)37(33)40-38(43)32-23-21-31(22-24-32)36(42)30-19-11-4-12-20-30/h1-24H,26H2,(H,40,43)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.72E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Competitive inhibition of Aeromonas hydrophila recombinant CphA expressed in Escherichia coli BL21(DE3) using meropenem as substrate by UV/Vis multi-...				Eur J Med Chem 137: 351-364 (2017) Article DOI: 10.1016/j.ejmech.2017.05.061 BindingDB Entry DOI: 10.7270/Q2R213WD
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50008094 (CHEMBL3234724) Show SMILES OS(O)([O-])CC[NH+]1CCOCC1 Show InChI InChI=1S/C6H15NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h8-10H,1-6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Competitive inhibition of Bacteroides fragilis metallo-beta-lactamase CcrA				Eur J Med Chem 76: 132-44 (2014) Article DOI: 10.1016/j.ejmech.2014.02.008 BindingDB Entry DOI: 10.7270/Q2T43VM0
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM360968 (4-(4-(2-aminobenzo [d]thiazol-4-yl)-2- sulfamoyl-3...) Show SMILES NC(CCNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O)C(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US10544130 (2020) BindingDB Entry DOI: 10.7270/Q2C82CQH
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM360968 (4-(4-(2-aminobenzo [d]thiazol-4-yl)-2- sulfamoyl-3...) Show SMILES NC(CCNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O)C(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...				US Patent US10221163 (2019) BindingDB Entry DOI: 10.7270/Q2RX9FB1
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM360881 (4-(2-amino-1,3- benzothiazol-4-yl)-N1-{[1- (hydrox...) Show SMILES Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCC1(CO)CC1 Show InChI InChI=1S/C19H20N8O5S3/c20-18-23-15-11(2-1-3-12(15)33-18)10-4-5-13(35(31,32)22-8-19(9-28)6-7-19)16(34(21,29)30)14(10)17-24-26-27-25-17/h1-5,22,28H,6-9H2,(H2,20,23)(H2,21,29,30)(H,24,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...				US Patent US10221163 (2019) BindingDB Entry DOI: 10.7270/Q2RX9FB1
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM360881 (4-(2-amino-1,3- benzothiazol-4-yl)-N1-{[1- (hydrox...) Show SMILES Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCC1(CO)CC1 Show InChI InChI=1S/C19H20N8O5S3/c20-18-23-15-11(2-1-3-12(15)33-18)10-4-5-13(35(31,32)22-8-19(9-28)6-7-19)16(34(21,29)30)14(10)17-24-26-27-25-17/h1-5,22,28H,6-9H2,(H2,20,23)(H2,21,29,30)(H,24,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US10544130 (2020) BindingDB Entry DOI: 10.7270/Q2C82CQH
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM427412 ((3R)-3-{[4-(2-amino-1H-1,3-benzodiazol-4-yl)-2-sul...) Show SMILES C[N]1(CCN)CC[C@H](C1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r| Show InChI InChI=1S/C21H26N11O4S2/c1-32(10-8-22)9-7-12(11-32)29-38(35,36)16-6-5-13(14-3-2-4-15-18(14)26-21(23)25-15)17(19(16)37(24,33)34)20-27-30-31-28-20/h2-6,12,29H,7-11,22H2,1H3,(H2,23,25)(H2,24,33,34)/b14-13+/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US10544130 (2020) BindingDB Entry DOI: 10.7270/Q2C82CQH
					More data for this Ligand-Target Pair

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