Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50047543   

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 (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 (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 (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 (Klebsiella pneumoniae)	BDBM50174227 (CHEMBL3810052) Show SMILES CCCCc1ccc(NC(=O)CSc2nnc([nH]2)-c2ccccc2)cc1 Show InChI InChI=1S/C20H22N4OS/c1-2-3-7-15-10-12-17(13-11-15)21-18(25)14-26-20-22-19(23-24-20)16-8-5-4-6-9-16/h4-6,8-13H,2-3,7,14H2,1H3,(H,21,25)(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	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 (Klebsiella pneumoniae)	BDBM50174182 (CHEMBL3809576) Show SMILES Oc1ccccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2)[nH]1 Show InChI InChI=1S/C16H13ClN4O2S/c17-10-4-3-5-11(8-10)18-14(23)9-24-16-19-15(20-21-16)12-6-1-2-7-13(12)22/h1-8,22H,9H2,(H,18,23)(H,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	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 (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	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Inhibition of Klebsiella pneumoniae metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21(DE3) cells preincubated for 60 min followed by ad...				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 (Klebsiella pneumoniae)	BDBM50174186 (CHEMBL3808671) Show SMILES CCCCc1ccc(NC(=O)CSc2nnc([nH]2)-c2ccccc2O)cc1 Show InChI InChI=1S/C20H22N4O2S/c1-2-3-6-14-9-11-15(12-10-14)21-18(26)13-27-20-22-19(23-24-20)16-7-4-5-8-17(16)25/h4-5,7-12,25H,2-3,6,13H2,1H3,(H,21,26)(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	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 (Klebsiella pneumoniae)	BDBM50174191 (CHEMBL3809719) Show SMILES Cc1ccccc1NC(=O)CSc1nnc([nH]1)-c1ccccc1O Show InChI InChI=1S/C17H16N4O2S/c1-11-6-2-4-8-13(11)18-15(23)10-24-17-19-16(20-21-17)12-7-3-5-9-14(12)22/h2-9,22H,10H2,1H3,(H,18,23)(H,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	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 (Klebsiella pneumoniae)	BDBM50174230 (CHEMBL3809713) Show SMILES O=C(CSc1nnc([nH]1)-c1ccccc1)Nc1ccccc1 Show InChI InChI=1S/C16H14N4OS/c21-14(17-13-9-5-2-6-10-13)11-22-16-18-15(19-20-16)12-7-3-1-4-8-12/h1-10H,11H2,(H,17,21)(H,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	170	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 (Klebsiella pneumoniae)	BDBM50174229 (CHEMBL3808678) Show SMILES Cc1ccccc1NC(=O)CSc1nnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C17H16N4OS/c1-12-7-5-6-10-14(12)18-15(22)11-23-17-19-16(20-21-17)13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H,18,22)(H,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	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 (Klebsiella pneumoniae)	BDBM50174312 (CHEMBL3809860) Show SMILES Nc1ccccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2)[nH]1 Show InChI InChI=1S/C16H14ClN5OS/c17-10-4-3-5-11(8-10)19-14(23)9-24-16-20-15(21-22-16)12-6-1-2-7-13(12)18/h1-8H,9,18H2,(H,19,23)(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Inhibition of Klebsiella pneumoniae metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21(DE3) cells preincubated for 60 min followed by ad...				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 (Klebsiella pneumoniae)	BDBM50174311 (CHEMBL3808891) Show SMILES Nc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2)[nH]1 Show InChI InChI=1S/C16H15N5OS/c17-13-9-5-4-8-12(13)15-19-16(21-20-15)23-10-14(22)18-11-6-2-1-3-7-11/h1-9H,10,17H2,(H,18,22)(H,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Inhibition of Klebsiella pneumoniae metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21(DE3) cells preincubated for 60 min followed by ad...				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 (Klebsiella pneumoniae)	BDBM50174195 (CHEMBL3809469) Show SMILES Clc1ccccc1NC(=O)CSc1nnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C16H13ClN4OS/c17-12-8-4-5-9-13(12)18-14(22)10-23-16-19-15(20-21-16)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,22)(H,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	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 (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	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Inhibition of Klebsiella pneumoniae metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21(DE3) cells preincubated for 60 min followed by ad...				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 (Klebsiella pneumoniae)	BDBM50174192 (CHEMBL3809609) Show SMILES Oc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2)[nH]1 Show InChI InChI=1S/C16H14N4O2S/c21-13-9-5-4-8-12(13)15-18-16(20-19-15)23-10-14(22)17-11-6-2-1-3-7-11/h1-9,21H,10H2,(H,17,22)(H,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	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 (Klebsiella pneumoniae)	BDBM50174309 (CHEMBL3810122) Show SMILES CCc1ccccc1NC(=O)CSc1nnc([nH]1)-c1ccccc1N Show InChI InChI=1S/C18H19N5OS/c1-2-12-7-3-6-10-15(12)20-16(24)11-25-18-21-17(22-23-18)13-8-4-5-9-14(13)19/h3-10H,2,11,19H2,1H3,(H,20,24)(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Inhibition of Klebsiella pneumoniae metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21(DE3) cells preincubated for 60 min followed by ad...				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 (Klebsiella pneumoniae)	BDBM50174306 (CHEMBL3808797) Show SMILES CCCCc1ccc(NC(=O)CSc2nnc([nH]2)-c2ccc(O)cc2)cc1 Show InChI InChI=1S/C20H22N4O2S/c1-2-3-4-14-5-9-16(10-6-14)21-18(26)13-27-20-22-19(23-24-20)15-7-11-17(25)12-8-15/h5-12,25H,2-4,13H2,1H3,(H,21,26)(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Inhibition of Klebsiella pneumoniae metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21(DE3) cells preincubated for 60 min followed by ad...				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 (Klebsiella pneumoniae)	BDBM50174305 (CHEMBL3810235) Show SMILES Oc1ccc(cc1)-c1nnc(SCC(=O)Nc2ccccc2Cl)[nH]1 Show InChI InChI=1S/C16H13ClN4O2S/c17-12-3-1-2-4-13(12)18-14(23)9-24-16-19-15(20-21-16)10-5-7-11(22)8-6-10/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	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Inhibition of Klebsiella pneumoniae metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21(DE3) cells preincubated for 60 min followed by ad...				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 (Klebsiella pneumoniae)	BDBM50174314 (CHEMBL3809238) Show SMILES Nc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2Cl)[nH]1 Show InChI InChI=1S/C16H14ClN5OS/c17-11-6-2-4-8-13(11)19-14(23)9-24-16-20-15(21-22-16)10-5-1-3-7-12(10)18/h1-8H,9,18H2,(H,19,23)(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Inhibition of Klebsiella pneumoniae metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21(DE3) cells preincubated for 60 min followed by ad...				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 (Klebsiella pneumoniae)	BDBM50174194 (CHEMBL3810164) Show SMILES Clc1cccc(NC(=O)CSc2nnc([nH]2)-c2ccccc2)c1 Show InChI InChI=1S/C16H13ClN4OS/c17-12-7-4-8-13(9-12)18-14(22)10-23-16-19-15(20-21-16)11-5-2-1-3-6-11/h1-9H,10H2,(H,18,22)(H,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	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 (Klebsiella pneumoniae)	BDBM50174189 (CHEMBL3809559) Show SMILES CCc1ccccc1NC(=O)CSc1nnc([nH]1)-c1ccccc1O Show InChI InChI=1S/C18H18N4O2S/c1-2-12-7-3-5-9-14(12)19-16(24)11-25-18-20-17(21-22-18)13-8-4-6-10-15(13)23/h3-10,23H,2,11H2,1H3,(H,19,24)(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	930	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 (Klebsiella pneumoniae)	BDBM50174308 (CHEMBL3808541) Show SMILES Cc1ccccc1NC(=O)CSc1nnc([nH]1)-c1ccc(O)cc1 Show InChI InChI=1S/C17H16N4O2S/c1-11-4-2-3-5-14(11)18-15(23)10-24-17-19-16(20-21-17)12-6-8-13(22)9-7-12/h2-9,22H,10H2,1H3,(H,18,23)(H,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Inhibition of Klebsiella pneumoniae metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21(DE3) cells preincubated for 60 min followed by ad...				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 (Klebsiella pneumoniae)	BDBM50174185 (CHEMBL3809666) Show SMILES Oc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2Cl)[nH]1 Show InChI InChI=1S/C16H13ClN4O2S/c17-11-6-2-3-7-12(11)18-14(23)9-24-16-19-15(20-21-16)10-5-1-4-8-13(10)22/h1-8,22H,9H2,(H,18,23)(H,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	980	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 (Klebsiella pneumoniae)	BDBM50174228 (CHEMBL3809445) Show SMILES CCc1ccccc1NC(=O)CSc1nnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C18H18N4OS/c1-2-13-8-6-7-11-15(13)19-16(23)12-24-18-20-17(21-22-18)14-9-4-3-5-10-14/h3-11H,2,12H2,1H3,(H,19,23)(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	990	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 (Klebsiella pneumoniae)	BDBM50174184 (CHEMBL3810416) Show SMILES Oc1ccc(cc1)-c1nnc(SCC(=O)Nc2ccccc2)[nH]1 Show InChI InChI=1S/C16H14N4O2S/c21-13-8-6-11(7-9-13)15-18-16(20-19-15)23-10-14(22)17-12-4-2-1-3-5-12/h1-9,21H,10H2,(H,17,22)(H,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	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 (Klebsiella pneumoniae)	BDBM50174307 (CHEMBL3809001) Show SMILES CCc1ccccc1NC(=O)CSc1nnc([nH]1)-c1ccc(O)cc1 Show InChI InChI=1S/C18H18N4O2S/c1-2-12-5-3-4-6-15(12)19-16(24)11-25-18-20-17(21-22-18)13-7-9-14(23)10-8-13/h3-10,23H,2,11H2,1H3,(H,19,24)(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Inhibition of Klebsiella pneumoniae metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21(DE3) cells preincubated for 60 min followed by ad...				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 (Klebsiella pneumoniae)	BDBM50174310 (CHEMBL3809903) Show SMILES Cc1ccccc1NC(=O)CSc1nnc([nH]1)-c1ccccc1N Show InChI InChI=1S/C17H17N5OS/c1-11-6-2-5-9-14(11)19-15(23)10-24-17-20-16(21-22-17)12-7-3-4-8-13(12)18/h2-9H,10,18H2,1H3,(H,19,23)(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northwest University Curated by ChEMBL					Assay Description Inhibition of Klebsiella pneumoniae metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21(DE3) cells preincubated for 60 min followed by ad...				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