Compile Data Set for Download or QSAR

Found 2511 hits Enz. Inhib. hit(s) with all data for entry = 293   

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 (Klebsiella pneumoniae)	BDBM262675 (7-(3-Sulfamoyl-2-(2H-tetrazol-5-yl)- 4-(trifluorom...) Show SMILES NC(=O)c1cc2cccc(-c3ccc(c(c3-c3nn[nH]n3)S(N)(=O)=O)C(F)(F)F)c2[nH]1 Show InChI InChI=1S/C17H12F3N7O3S/c18-17(19,20)10-5-4-8(12(14(10)31(22,29)30)16-24-26-27-25-16)9-3-1-2-7-6-11(15(21)28)23-13(7)9/h1-6,23H,(H2,21,28)(H2,22,29,30)(H,24,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0250	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM262700 (3-(2-amino-1,3-benzothiazol- 7-yl)-2-(1H-tetrazol-...) Show SMILES Nc1nc2cccc(-c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)c2s1 Show InChI InChI=1S/C15H10F3N7O2S2/c16-15(17,18)8-5-4-6(7-2-1-3-9-11(7)28-14(19)21-9)10(12(8)29(20,26)27)13-22-24-25-23-13/h1-5H,(H2,19,21)(H2,20,26,27)(H,22,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262700 (3-(2-amino-1,3-benzothiazol- 7-yl)-2-(1H-tetrazol-...) Show SMILES Nc1nc2cccc(-c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)c2s1 Show InChI InChI=1S/C15H10F3N7O2S2/c16-15(17,18)8-5-4-6(7-2-1-3-9-11(7)28-14(19)21-9)10(12(8)29(20,26)27)13-22-24-25-23-13/h1-5H,(H2,19,21)(H2,20,26,27)(H,22,23,24,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0620	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262696 (3-(2-amino-1,3-benzothiazol- 6-yl)-2-(1H-tetrazol-...) Show SMILES Nc1nc2ccc(cc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C15H10F3N7O2S2/c16-15(17,18)8-3-2-7(6-1-4-9-10(5-6)28-14(19)21-9)11(12(8)29(20,26)27)13-22-24-25-23-13/h1-5H,(H2,19,21)(H2,20,26,27)(H,22,23,24,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0630	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262972 (4-[4-[3-sulfamoyl-2-(1H-tetrazol-5- yl)-4- (triflu...) Show SMILES NC(=N)N1CCC(CC1)[C@H]1CC[C@@H](CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |r,wU:12.16,wD:9.9,(6,-6.16,;6,-4.62,;7.34,-3.85,;4.67,-3.85,;3.33,-4.62,;2,-3.85,;2,-2.31,;3.33,-1.54,;4.67,-2.31,;.67,-1.54,;.67,,;-.67,.77,;-2,,;-2,-1.54,;-.67,-2.31,;-3.33,.77,;-4.67,,;-6,.77,;-6,2.31,;-4.67,3.08,;-3.33,2.31,;-2,3.08,;-2,4.62,;-.54,5.1,;.37,3.85,;-.54,2.6,;-4.67,4.62,;-6.21,4.62,;-4.67,6.16,;-3.13,4.62,;-7.34,3.08,;-8.67,2.31,;-7.34,4.62,;-7.34,1.54,)| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0810	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262672 (3-(1-Oxoisoindolin-4-yl)-2-(2H- tetrazol-5-yl)-6- ...) Show SMILES NS(=O)(=O)c1c(ccc(-c2cccc3C(=O)NCc23)c1-c1nn[nH]n1)C(F)(F)F Show InChI InChI=1S/C16H11F3N6O3S/c17-16(18,19)11-5-4-8(7-2-1-3-9-10(7)6-21-15(9)26)12(13(11)29(20,27)28)14-22-24-25-23-14/h1-5H,6H2,(H,21,26)(H2,20,27,28)(H,22,23,24,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM262715 (3-(2-amino-4-methyl-1H-benzo[d]imidazol-7-yl)-2-(1...) Show SMILES Cc1ccc(-c2ccc(c(c2-c2nnn[nH]2)S(N)(=O)=O)C(F)(F)F)c2[nH]c(N)nc12 Show InChI InChI=1S/C16H13F3N8O2S/c1-6-2-3-8(12-11(6)22-15(20)23-12)7-4-5-9(16(17,18)19)13(30(21,28)29)10(7)14-24-26-27-25-14/h2-5H,1H3,(H3,20,22,23)(H2,21,28,29)(H,24,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0980	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262898 (3-(1-aminoisoquinolin-6-yl)-2- (1H-tetrazol-5-yl)-...) Show SMILES Nc1nccc2cc(ccc12)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H12F3N7O2S/c18-17(19,20)12-4-3-10(8-1-2-11-9(7-8)5-6-23-15(11)21)13(14(12)30(22,28)29)16-24-26-27-25-16/h1-7H,(H2,21,23)(H2,22,28,29)(H,24,25,26,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.108	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262926 (3-[4-(4-piperidyl)-1-piperidyl]- 2-(1H-tetrazol-5-...) Show SMILES NS(=O)(=O)c1c(ccc(N2CCC(CC2)C2CCNCC2)c1-c1nnn[nH]1)C(F)(F)F Show InChI InChI=1S/C18H24F3N7O2S/c19-18(20,21)13-1-2-14(15(16(13)31(22,29)30)17-24-26-27-25-17)28-9-5-12(6-10-28)11-3-7-23-8-4-11/h1-2,11-12,23H,3-10H2,(H2,22,29,30)(H,24,25,26,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.110	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM262701 (3-(2-amino-8-quinolyl)-2-(2H- tetrazol-5-yl)-6- (t...) Show SMILES Nc1ccc2cccc(-c3ccc(c(c3-c3nn[nH]n3)S(N)(=O)=O)C(F)(F)F)c2n1 Show InChI InChI=1S/C17H12F3N7O2S/c18-17(19,20)11-6-5-9(10-3-1-2-8-4-7-12(21)23-14(8)10)13(15(11)30(22,28)29)16-24-26-27-25-16/h1-7H,(H2,21,23)(H2,22,28,29)(H,24,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.115	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262703 (3-(2-aminoquinazolin-5-yl)-2- (2H-tetrazol-5-yl)-6...) Show SMILES Nc1ncc2c(cccc2n1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C16H11F3N8O2S/c17-16(18,19)10-5-4-8(7-2-1-3-11-9(7)6-22-15(20)23-11)12(13(10)30(21,28)29)14-24-26-27-25-14/h1-6H,(H2,20,22,23)(H2,21,28,29)(H,24,25,26,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.122	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM262703 (3-(2-aminoquinazolin-5-yl)-2- (2H-tetrazol-5-yl)-6...) Show SMILES Nc1ncc2c(cccc2n1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C16H11F3N8O2S/c17-16(18,19)10-5-4-8(7-2-1-3-11-9(7)6-22-15(20)23-11)12(13(10)30(21,28)29)14-24-26-27-25-14/h1-6H,(H2,20,22,23)(H2,21,28,29)(H,24,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.125	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM262688 (3-(2-Aminobenzo[d]thiazol-4-yl)-6- (2-(4-aminocycl...) Show SMILES NC1CCC(CCc2ccc(-c3cccc4sc(N)nc34)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1 |(-1.36,-5.8,;-.02,-5.03,;-.02,-3.49,;1.31,-2.72,;2.64,-3.49,;3.98,-2.72,;3.98,-1.18,;2.64,-.41,;1.31,-1.18,;-.02,-.41,;-.02,1.13,;-1.36,1.9,;-1.36,3.44,;-2.69,4.21,;-4.02,3.44,;-4.02,1.9,;-5.17,.86,;-4.54,-.54,;-5.31,-1.88,;-3.01,-.38,;-2.69,1.13,;1.31,1.9,;1.31,3.44,;.06,4.34,;.54,5.8,;2.08,5.8,;2.56,4.34,;2.64,1.13,;3.98,1.9,;4.75,.56,;3.21,3.23,;5.31,2.67,;2.64,-5.03,;1.31,-5.8,)| Show InChI InChI=1S/C22H26N8O2S2/c23-14-9-5-12(6-10-14)4-7-13-8-11-15(16-2-1-3-17-19(16)26-22(24)33-17)18(20(13)34(25,31)32)21-27-29-30-28-21/h1-3,8,11-12,14H,4-7,9-10,23H2,(H2,24,26)(H2,25,31,32)(H,27,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.133	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262641 (3-(1,2,3,4-Tetrahydroquinolin-4-yl)-2-(1H-tetrazol...) Show SMILES NS(=O)(=O)c1c(ccc(C2CCNc3ccccc23)c1-c1nnn[nH]1)C(F)(F)F Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.133	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262634 (3-(Quinolin-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluor...) Show SMILES NS(=O)(=O)c1c(ccc(-c2cccc3ncccc23)c1-c1nn[nH]n1)C(F)(F)F Show InChI InChI=1S/C17H11F3N6O2S/c18-17(19,20)12-7-6-11(9-3-1-5-13-10(9)4-2-8-22-13)14(15(12)29(21,27)28)16-23-25-26-24-16/h1-8H,(H2,21,27,28)(H,23,24,25,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.134	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262661 (5-(3-Sulfamoyl-2-(2H-tetrazol-5-yl)- 4-(trifluorom...) Show SMILES NS(=O)(=O)c1c(ccc(-c2cccc3[n+]([O-])cccc23)c1-c1nn[nH]n1)C(F)(F)F Show InChI InChI=1S/C17H11F3N6O3S/c18-17(19,20)12-7-6-11(9-3-1-5-13-10(9)4-2-8-26(13)27)14(15(12)30(21,28)29)16-22-24-25-23-16/h1-8H,(H2,21,28,29)(H,22,23,24,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.138	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM262698 (3-(2-amino-3H-benzimidazol- 4-yl)-2-(1H-tetrazol-5...) Show SMILES Nc1nc2cccc(-c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)c2[nH]1 Show InChI InChI=1S/C15H11F3N8O2S/c16-15(17,18)8-5-4-6(7-2-1-3-9-11(7)22-14(19)21-9)10(12(8)29(20,27)28)13-23-25-26-24-13/h1-5H,(H3,19,21,22)(H2,20,27,28)(H,23,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.142	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262855 (3-(1H-pyrrolo[2,3-b]pyridin-5- yl)-2-(1H-tetrazol-...) Show SMILES NS(=O)(=O)c1c(ccc(-c2cnc3[nH]ccc3c2)c1-c1nnn[nH]1)C(F)(F)F Show InChI InChI=1S/C15H10F3N7O2S/c16-15(17,18)10-2-1-9(8-5-7-3-4-20-13(7)21-6-8)11(12(10)28(19,26)27)14-22-24-25-23-14/h1-6H,(H,20,21)(H2,19,26,27)(H,22,23,24,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.144	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM262705 (3-(2-aminoquinazolin-8-yl)-2- (2H-tetrazol-5-yl)-6...) Show SMILES Nc1ncc2cccc(-c3ccc(c(c3-c3nn[nH]n3)S(N)(=O)=O)C(F)(F)F)c2n1 Show InChI InChI=1S/C16H11F3N8O2S/c17-16(18,19)10-5-4-8(9-3-1-2-7-6-22-15(20)23-12(7)9)11(13(10)30(21,28)29)14-24-26-27-25-14/h1-6H,(H2,20,22,23)(H2,21,28,29)(H,24,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.145	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262675 (7-(3-Sulfamoyl-2-(2H-tetrazol-5-yl)- 4-(trifluorom...) Show SMILES NC(=O)c1cc2cccc(-c3ccc(c(c3-c3nn[nH]n3)S(N)(=O)=O)C(F)(F)F)c2[nH]1 Show InChI InChI=1S/C17H12F3N7O3S/c18-17(19,20)10-5-4-8(12(14(10)31(22,29)30)16-24-26-27-25-16)9-3-1-2-7-6-11(15(21)28)23-13(7)9/h1-6,23H,(H2,21,28)(H2,22,29,30)(H,24,25,26,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.146	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262890 (3-(2-amino-4-fluoro-1,3- benzothiazol-6-yl)-2-(1H-...) Show SMILES Nc1nc2c(F)cc(cc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C15H9F4N7O2S2/c16-8-3-5(4-9-11(8)22-14(20)29-9)6-1-2-7(15(17,18)19)12(30(21,27)28)10(6)13-23-25-26-24-13/h1-4H,(H2,20,22)(H2,21,27,28)(H,23,24,25,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.147	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM262571 (3-(2-amino-1,3-benzothiazol-4-yl)-2-(2H-tetrazol-5...) Show SMILES Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C15H10F3N7O2S2/c16-15(17,18)8-5-4-6(7-2-1-3-9-11(7)21-14(19)28-9)10(12(8)29(20,26)27)13-22-24-25-23-13/h1-5H,(H2,19,21)(H2,20,26,27)(H,22,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.153	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM262972 (4-[4-[3-sulfamoyl-2-(1H-tetrazol-5- yl)-4- (triflu...) Show SMILES NC(=N)N1CCC(CC1)[C@H]1CC[C@@H](CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |r,wU:12.16,wD:9.9,(6,-6.16,;6,-4.62,;7.34,-3.85,;4.67,-3.85,;3.33,-4.62,;2,-3.85,;2,-2.31,;3.33,-1.54,;4.67,-2.31,;.67,-1.54,;.67,,;-.67,.77,;-2,,;-2,-1.54,;-.67,-2.31,;-3.33,.77,;-4.67,,;-6,.77,;-6,2.31,;-4.67,3.08,;-3.33,2.31,;-2,3.08,;-2,4.62,;-.54,5.1,;.37,3.85,;-.54,2.6,;-4.67,4.62,;-6.21,4.62,;-4.67,6.16,;-3.13,4.62,;-7.34,3.08,;-8.67,2.31,;-7.34,4.62,;-7.34,1.54,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.157	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262715 (3-(2-amino-4-methyl-1H-benzo[d]imidazol-7-yl)-2-(1...) Show SMILES Cc1ccc(-c2ccc(c(c2-c2nnn[nH]2)S(N)(=O)=O)C(F)(F)F)c2[nH]c(N)nc12 Show InChI InChI=1S/C16H13F3N8O2S/c1-6-2-3-8(12-11(6)22-15(20)23-12)7-4-5-9(16(17,18)19)13(30(21,28)29)10(7)14-24-26-27-25-14/h2-5H,1H3,(H3,20,22,23)(H2,21,28,29)(H,24,25,26,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.161	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262421 (US9708336, 273) Show SMILES NS(=O)(=O)c1c(ccc(-c2ccnc3ccccc23)c1-c1nn[nH]n1)C(F)(F)F Show InChI InChI=1S/C17H11F3N6O2S/c18-17(19,20)12-6-5-11(9-7-8-22-13-4-2-1-3-10(9)13)14(15(12)29(21,27)28)16-23-25-26-24-16/h1-8H,(H2,21,27,28)(H,23,24,25,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.165	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262857 (3-pyrazolo[1,5-a]pyridin-3-yl-2- (1H-tetrazol-5-yl...) Show SMILES NS(=O)(=O)c1c(ccc(-c2cnn3ccccc23)c1-c1nnn[nH]1)C(F)(F)F Show InChI InChI=1S/C15H10F3N7O2S/c16-15(17,18)10-5-4-8(9-7-20-25-6-2-1-3-11(9)25)12(13(10)28(19,26)27)14-21-23-24-22-14/h1-7H,(H2,19,26,27)(H,21,22,23,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.168	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262595 (3-(2-guanidino-2,3-dihydro-1H-inden-5- yl)-2-(2H-t...) Show SMILES NC(=N)NC1Cc2ccc(cc2C1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.171	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262582 (3-(3′-sulfamoyl-2′-(2H-tetrazol-5-yl)-...) Show SMILES NC(=N)N1CC(C1)c1ccc(cc1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H17F3N8O2S/c19-18(20,21)13-6-5-12(14(15(13)32(24,30)31)16-25-27-28-26-16)10-3-1-9(2-4-10)11-7-29(8-11)17(22)23/h1-6,11H,7-8H2,(H3,22,23)(H2,24,30,31)(H,25,26,27,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.175	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262892 (3-(2-aminoquinolin-6-yl)-2-(1H- tetrazol-5-yl)-6- ...) Show SMILES Nc1ccc2cc(ccc2n1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H12F3N7O2S/c18-17(19,20)11-4-3-10(8-1-5-12-9(7-8)2-6-13(21)23-12)14(15(11)30(22,28)29)16-24-26-27-25-16/h1-7H,(H2,21,23)(H2,22,28,29)(H,24,25,26,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.175	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262702 (3-(6-amino-2-methyl-3- pyridyl)-2-(2H-tetrazol-5-y...) Show SMILES Cc1nc(N)ccc1-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C14H12F3N7O2S/c1-6-7(3-5-10(18)20-6)8-2-4-9(14(15,16)17)12(27(19,25)26)11(8)13-21-23-24-22-13/h2-5H,1H3,(H2,18,20)(H2,19,25,26)(H,21,22,23,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.177	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262705 (3-(2-aminoquinazolin-8-yl)-2- (2H-tetrazol-5-yl)-6...) Show SMILES Nc1ncc2cccc(-c3ccc(c(c3-c3nn[nH]n3)S(N)(=O)=O)C(F)(F)F)c2n1 Show InChI InChI=1S/C16H11F3N8O2S/c17-16(18,19)10-5-4-8(9-3-1-2-7-6-22-15(20)23-12(7)9)11(13(10)30(21,28)29)14-24-26-27-25-14/h1-6H,(H2,20,22,23)(H2,21,28,29)(H,24,25,26,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.178	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262651 (US9708336, 503) Show SMILES NC(=N)NC[C@H]1CCC(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F |r,wU:5.4,(-6.75,-11.21,;-6.35,-9.72,;-7.44,-8.63,;-4.86,-9.33,;-4.46,-7.84,;-2.98,-7.44,;-2.58,-5.95,;-1.09,-5.55,;,-6.64,;-.4,-8.13,;-1.89,-8.53,;1.49,-6.24,;2.58,-7.33,;4.06,-6.93,;4.52,-5.43,;3.37,-4.36,;1.89,-4.76,;.8,-3.67,;-.74,-3.67,;-1.22,-2.2,;.03,-1.3,;1.27,-2.2,;3.77,-2.87,;5.11,-2.1,;3.77,-1.33,;5.11,-3.64,;6,-5.03,;7.49,-4.63,;6.4,-6.52,;6.08,-3.5,)| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.183	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262902 (3-[4-(2-aminoethyl)piperidin-1- yl]-2-(1H-tetrazol...) Show SMILES NCCC1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C15H20F3N7O2S/c16-15(17,18)10-1-2-11(25-7-4-9(3-6-19)5-8-25)12(13(10)28(20,26)27)14-21-23-24-22-14/h1-2,9H,3-8,19H2,(H2,20,26,27)(H,21,22,23,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.191	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM262686 (3-(4-(2-Aminobenzo[d]thiazol-4-yl)- 2-sulfamoyl-3-...) Show SMILES NC(=O)CCc1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O Show InChI InChI=1S/C17H16N8O3S2/c18-12(26)7-5-8-4-6-9(10-2-1-3-11-14(10)21-17(19)29-11)13(15(8)30(20,27)28)16-22-24-25-23-16/h1-4,6H,5,7H2,(H2,18,26)(H2,19,21)(H2,20,27,28)(H,22,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.192	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM262634 (3-(Quinolin-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluor...) Show SMILES NS(=O)(=O)c1c(ccc(-c2cccc3ncccc23)c1-c1nn[nH]n1)C(F)(F)F Show InChI InChI=1S/C17H11F3N6O2S/c18-17(19,20)12-7-6-11(9-3-1-5-13-10(9)4-2-8-22-13)14(15(12)29(21,27)28)16-23-25-26-24-16/h1-8H,(H2,21,27,28)(H,23,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.192	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262630 (4-(3-Sulfamoyl-2-(1H-tetrazol-5-yl)-4-(trifluorome...) Show SMILES NC(=N)c1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C16H11F3N8O2S2/c17-16(18,19)8-5-4-6(10(12(8)31(22,28)29)14-24-26-27-25-14)7-2-1-3-9-11(7)23-15(30-9)13(20)21/h1-5H,(H3,20,21)(H2,22,28,29)(H,24,25,26,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.194	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262969 (9-[3-sulfamoyl-2-(1H-tetrazol-5-yl)- 4-(trifluorom...) Show SMILES NC(=N)N1CCC2(CC1)CCN(CC2)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H24F3N9O2S/c19-18(20,21)11-1-2-12(13(14(11)33(24,31)32)15-25-27-28-26-15)29-7-3-17(4-8-29)5-9-30(10-6-17)16(22)23/h1-2H,3-10H2,(H3,22,23)(H2,24,31,32)(H,25,26,27,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.196	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262633 (3-(Imidazo[1,5-a]pyridin-8-yl)-2-(1H-tetrazol-5-yl...) Show SMILES NS(=O)(=O)c1c(ccc(-c2cccn3cncc23)c1-c1nnn[nH]1)C(F)(F)F Show InChI InChI=1S/C15H10F3N7O2S/c16-15(17,18)10-4-3-9(8-2-1-5-25-7-20-6-11(8)25)12(13(10)28(19,26)27)14-21-23-24-22-14/h1-7H,(H2,19,26,27)(H,21,22,23,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.197	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM262687 (3-(2-Aminobenzo[d]thiazol-4-yl)-6- (2-(piperidin-4...) Show SMILES Nc1nc2c(cccc2s1)-c1ccc(CCC2CCNCC2)c(c1-c1nn[nH]n1)S(N)(=O)=O Show InChI InChI=1S/C21H24N8O2S2/c22-21-25-18-15(2-1-3-16(18)32-21)14-7-6-13(5-4-12-8-10-24-11-9-12)19(33(23,30)31)17(14)20-26-28-29-27-20/h1-3,6-7,12,24H,4-5,8-11H2,(H2,22,25)(H2,23,30,31)(H,26,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.199	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262979 (3-((1r,4r)-4-(piperidin-4-yl)cyclohexyl)-2-(1H-tet...) Show SMILES NS(=O)(=O)c1c(ccc([C@H]2CCC(CC2)C2CCNCC2)c1-c1nnn[nH]1)C(F)(F)F |r,wD:9.8,(5.6,7.15,;4.27,7.92,;5.04,9.26,;4.67,6.43,;2.94,7.15,;2.98,5.58,;1.6,4.84,;.27,5.61,;.27,7.15,;-1.22,7.55,;-2.7,7.13,;-4.19,7.55,;-4.96,6.22,;-3.48,6.64,;-1.99,6.22,;-4.96,4.68,;-6.29,3.91,;-6.29,2.37,;-4.96,1.6,;-3.63,2.37,;-3.63,3.91,;1.6,7.92,;1.6,9.46,;.36,10.37,;.83,11.83,;2.37,11.83,;2.85,10.37,;4.32,4.81,;5.65,4.04,;3.55,3.48,;5.46,5.84,)| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.212	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262706 (3-[4-(2-hydroxy-1H-imidazol- 4-yl)phenyl]-2-(1H-te...) Show SMILES NS(=O)(=O)c1c(ccc(-c2ccc(cc2)-c2c[nH]c(O)[nH+]2)c1-c1nnn[nH]1)C(F)(F)F Show InChI InChI=1S/C17H12F3N7O3S/c18-17(19,20)11-6-5-10(13(14(11)31(21,29)30)15-24-26-27-25-15)8-1-3-9(4-2-8)12-7-22-16(28)23-12/h1-7H,(H2,21,29,30)(H2,22,23,28)(H,24,25,26,27)/p+1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.212	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262707 (3-[4-(2-amino-3-methyl- imidazol-4-yl)phenyl]-2-(1...) Show SMILES Cn1c(N)[nH+]cc1-c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C18H15F3N8O2S/c1-29-13(8-24-17(29)22)10-4-2-9(3-5-10)11-6-7-12(18(19,20)21)15(32(23,30)31)14(11)16-25-27-28-26-16/h2-8H,1H3,(H2,22,24)(H2,23,30,31)(H,25,26,27,28)/p+1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.212	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM262716 (3-(2-amino-5-cyano-1H-benzo[d]imidazol-7-yl)-2-(1H...) Show SMILES Nc1nc2cc(cc(-c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)c2[nH]1)C#N Show InChI InChI=1S/C16H10F3N9O2S/c17-16(18,19)9-2-1-7(11(13(9)31(22,29)30)14-25-27-28-26-14)8-3-6(5-20)4-10-12(8)24-15(21)23-10/h1-4H,(H3,21,23,24)(H2,22,29,30)(H,25,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.215	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262631 (3-(2-Cyanobenzo[d]thiazol-4-yl)-2-(1H-tetrazol-5-y...) Show SMILES NS(=O)(=O)c1c(ccc(-c2cccc3sc(nc23)C#N)c1-c1nnn[nH]1)C(F)(F)F Show InChI InChI=1S/C16H8F3N7O2S2/c17-16(18,19)9-5-4-7(8-2-1-3-10-13(8)22-11(6-20)29-10)12(14(9)30(21,27)28)15-23-25-26-24-15/h1-5H,(H2,21,27,28)(H,23,24,25,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.216	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262808 (3-[4-(2-hydroxyethyl)piperidin-1-yl]- 2-(1H-tetraz...) Show SMILES NS(=O)(=O)c1c(ccc(N2CCC(CCO)CC2)c1-c1nnn[nH]1)C(F)(F)F Show InChI InChI=1S/C15H19F3N6O3S/c16-15(17,18)10-1-2-11(24-6-3-9(4-7-24)5-8-25)12(13(10)28(19,26)27)14-20-22-23-21-14/h1-2,9,25H,3-8H2,(H2,19,26,27)(H,20,21,22,23)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262858 (3-furo[3,2-b]pyridin-6-yl-2-(1H- tetrazol-5-yl)-6-...) Show SMILES NS(=O)(=O)c1c(ccc(-c2cnc3ccoc3c2)c1-c1nnn[nH]1)C(F)(F)F Show InChI InChI=1S/C15H9F3N6O3S/c16-15(17,18)9-2-1-8(7-5-11-10(20-6-7)3-4-27-11)12(13(9)28(19,25)26)14-21-23-24-22-14/h1-6H,(H2,19,25,26)(H,21,22,23,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.224	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262802 (3-(3-methyl-1,4,6,7-tetrahydro-5H- pyrazolo[4,3-c]...) Show SMILES Cc1n[nH]c2CCN(Cc12)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C15H15F3N8O2S/c1-7-8-6-26(5-4-10(8)21-20-7)11-3-2-9(15(16,17)18)13(29(19,27)28)12(11)14-22-24-25-23-14/h2-3H,4-6H2,1H3,(H,20,21)(H2,19,27,28)(H,22,23,24,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.225	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM262714 (3-(2-amino-5-(trifluoromethyl)-1H-benzo[d]imidazol...) Show SMILES Nc1nc2cc(cc(-c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)c2[nH]1)C(F)(F)F Show InChI InChI=1S/C16H10F6N8O2S/c17-15(18,19)5-3-7(11-9(4-5)25-14(23)26-11)6-1-2-8(16(20,21)22)12(33(24,31)32)10(6)13-27-29-30-28-13/h1-4H,(H3,23,25,26)(H2,24,31,32)(H,27,28,29,30)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.225	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM262887 (4'-(4-hydroxypiperidin-1-yl)-2- (1H-tetrazol-5-yl)...) Show SMILES NS(=O)(=O)c1c(ccc(-c2ccc(cc2)N2CCC(O)CC2)c1-c1nnn[nH]1)C(F)(F)F Show InChI InChI=1S/C19H19F3N6O3S/c20-19(21,22)15-6-5-14(16(17(15)32(23,30)31)18-24-26-27-25-18)11-1-3-12(4-2-11)28-9-7-13(29)8-10-28/h1-6,13,29H,7-10H2,(H2,23,30,31)(H,24,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.229	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM262713 (3-(2-amino-5-fluoro-1H-benzo[d]imidazol-7-yl)-2-(1...) Show SMILES Nc1nc2cc(F)cc(-c3ccc(c(c3-c3nnn[nH]3)S(N)(=O)=O)C(F)(F)F)c2[nH]1 Show InChI InChI=1S/C15H10F4N8O2S/c16-5-3-7(11-9(4-5)22-14(20)23-11)6-1-2-8(15(17,18)19)12(30(21,28)29)10(6)13-24-26-27-25-13/h1-4H,(H3,20,22,23)(H2,21,28,29)(H,24,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.233	n/a	n/a	n/a	n/a	7.0	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 US9708336 (2017) BindingDB Entry DOI: 10.7270/Q2FN186K
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 2511 total )  |  Next  |  Last  >>

Jump to: