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Found 1725 hits Enz. Inhib. hit(s) with Target = 'Metallo-beta-lactamase type 2'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262250
PNG
(3-(5-cyano-1H-indol-2-yl)-2- (2H-tetrazol-5- yl)be...)
Show SMILES NS(=O)(=O)c1cccc(C2Cc3cc(ccc3N2)C#N)c1-c1nn[nH]n1
Show InChI InChI=1S/C16H13N7O2S/c17-8-9-4-5-12-10(6-9)7-13(19-12)11-2-1-3-14(26(18,24)25)15(11)16-20-22-23-21-16/h1-6,13,19H,7H2,(H2,18,24,25)(H,20,21,22,23)
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n/an/a 6.98n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM262251
PNG
(3-[1-(pyridin-4-ylmethyl)- 1H-pyrazol-4-yl]-2-(2H-...)
Show SMILES NS(=O)(=O)c1cccc(-c2cnn(Cc3ccncc3)c2)c1-c1nn[nH]n1
Show InChI InChI=1S/C16H14N8O2S/c17-27(25,26)14-3-1-2-13(15(14)16-20-22-23-21-16)12-8-19-24(10-12)9-11-4-6-18-7-5-11/h1-8,10H,9H2,(H2,17,25,26)(H,20,21,22,23)
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n/an/a 146n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262251
PNG
(3-[1-(pyridin-4-ylmethyl)- 1H-pyrazol-4-yl]-2-(2H-...)
Show SMILES NS(=O)(=O)c1cccc(-c2cnn(Cc3ccncc3)c2)c1-c1nn[nH]n1
Show InChI InChI=1S/C16H14N8O2S/c17-27(25,26)14-3-1-2-13(15(14)16-20-22-23-21-16)12-8-19-24(10-12)9-11-4-6-18-7-5-11/h1-8,10H,9H2,(H2,17,25,26)(H,20,21,22,23)
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n/an/a 29.6n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM262252
PNG
(3-[1-(pyridin-2-ylmethyl)- 1H-pyrazol-4-yl]-2-(2H-...)
Show SMILES NS(=O)(=O)c1cccc(-c2cnn(Cc3ccccn3)c2)c1-c1nn[nH]n1
Show InChI InChI=1S/C16H14N8O2S/c17-27(25,26)14-6-3-5-13(15(14)16-20-22-23-21-16)11-8-19-24(9-11)10-12-4-1-2-7-18-12/h1-9H,10H2,(H2,17,25,26)(H,20,21,22,23)
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n/an/a 517n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262252
PNG
(3-[1-(pyridin-2-ylmethyl)- 1H-pyrazol-4-yl]-2-(2H-...)
Show SMILES NS(=O)(=O)c1cccc(-c2cnn(Cc3ccccn3)c2)c1-c1nn[nH]n1
Show InChI InChI=1S/C16H14N8O2S/c17-27(25,26)14-6-3-5-13(15(14)16-20-22-23-21-16)11-8-19-24(9-11)10-12-4-1-2-7-18-12/h1-9H,10H2,(H2,17,25,26)(H,20,21,22,23)
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n/an/a 40.9n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM262253
PNG
(3-[2-(2-methyl-1H-imidazol- 1-yl)-1,3-thiazol-4-yl...)
Show SMILES Cc1nccn1-c1nc(cs1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
Show InChI InChI=1S/C14H12N8O2S2/c1-8-16-5-6-22(8)14-17-10(7-25-14)9-3-2-4-11(26(15,23)24)12(9)13-18-20-21-19-13/h2-7H,1H3,(H2,15,23,24)(H,18,19,20,21)
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n/an/a 174n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262253
PNG
(3-[2-(2-methyl-1H-imidazol- 1-yl)-1,3-thiazol-4-yl...)
Show SMILES Cc1nccn1-c1nc(cs1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
Show InChI InChI=1S/C14H12N8O2S2/c1-8-16-5-6-22(8)14-17-10(7-25-14)9-3-2-4-11(26(15,23)24)12(9)13-18-20-21-19-13/h2-7H,1H3,(H2,15,23,24)(H,18,19,20,21)
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n/an/a 128n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM262254
PNG
(3-[5-(morpholin-4- ylmethyl)thiophen-3-yl]-2- (2H-...)
Show SMILES NS(=O)(=O)c1cccc(-c2csc(CN3CCOCC3)c2)c1-c1nn[nH]n1
Show InChI InChI=1S/C16H18N6O3S2/c17-27(23,24)14-3-1-2-13(15(14)16-18-20-21-19-16)11-8-12(26-10-11)9-22-4-6-25-7-5-22/h1-3,8,10H,4-7,9H2,(H2,17,23,24)(H,18,19,20,21)
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n/an/a 311n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262254
PNG
(3-[5-(morpholin-4- ylmethyl)thiophen-3-yl]-2- (2H-...)
Show SMILES NS(=O)(=O)c1cccc(-c2csc(CN3CCOCC3)c2)c1-c1nn[nH]n1
Show InChI InChI=1S/C16H18N6O3S2/c17-27(23,24)14-3-1-2-13(15(14)16-18-20-21-19-16)11-8-12(26-10-11)9-22-4-6-25-7-5-22/h1-3,8,10H,4-7,9H2,(H2,17,23,24)(H,18,19,20,21)
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n/an/a 49.4n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM262255
PNG
(3-(5H-pyrrolo[2,3-b]pyrazin- 7-yl)-2-(2H-tetrazol-...)
Show SMILES NS(=O)(=O)c1cccc(-c2c[nH]c3nccnc23)c1-c1nn[nH]n1
Show InChI InChI=1S/C13H8N8O2S/c14-24(22,23)9-3-1-2-7(10(9)12-18-20-21-19-12)8-6-17-13-11(8)15-4-5-16-13/h1-6H,(H2,14,22,23)/b8-7+
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n/an/a 287n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262255
PNG
(3-(5H-pyrrolo[2,3-b]pyrazin- 7-yl)-2-(2H-tetrazol-...)
Show SMILES NS(=O)(=O)c1cccc(-c2c[nH]c3nccnc23)c1-c1nn[nH]n1
Show InChI InChI=1S/C13H8N8O2S/c14-24(22,23)9-3-1-2-7(10(9)12-18-20-21-19-12)8-6-17-13-11(8)15-4-5-16-13/h1-6H,(H2,14,22,23)/b8-7+
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n/an/a 16.8n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM262256
PNG
(3-pyrazolo[1,5-b]pyridazin- 3-yl-2-(2H-tetrazol-5-...)
Show SMILES NS(=O)(=O)c1cccc(-c2cnn3ncccc23)c1-c1nn[nH]n1
Show InChI InChI=1S/C13H10N8O2S/c14-24(22,23)11-5-1-3-8(12(11)13-17-19-20-18-13)9-7-16-21-10(9)4-2-6-15-21/h1-7H,(H2,14,22,23)(H,17,18,19,20)
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n/an/a 374n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262256
PNG
(3-pyrazolo[1,5-b]pyridazin- 3-yl-2-(2H-tetrazol-5-...)
Show SMILES NS(=O)(=O)c1cccc(-c2cnn3ncccc23)c1-c1nn[nH]n1
Show InChI InChI=1S/C13H10N8O2S/c14-24(22,23)11-5-1-3-8(12(11)13-17-19-20-18-13)9-7-16-21-10(9)4-2-6-15-21/h1-7H,(H2,14,22,23)(H,17,18,19,20)
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n/an/a 14.3n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM262257
PNG
(3-[1-(1-methylethyl)-1H- pyrazol-5-yl]-2-(2H-tetra...)
Show SMILES CC(C)n1nccc1-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
Show InChI InChI=1S/C13H15N7O2S/c1-8(2)20-10(6-7-15-20)9-4-3-5-11(23(14,21)22)12(9)13-16-18-19-17-13/h3-8H,1-2H3,(H2,14,21,22)(H,16,17,18,19)
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n/an/a 1.80E+3n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262257
PNG
(3-[1-(1-methylethyl)-1H- pyrazol-5-yl]-2-(2H-tetra...)
Show SMILES CC(C)n1nccc1-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
Show InChI InChI=1S/C13H15N7O2S/c1-8(2)20-10(6-7-15-20)9-4-3-5-11(23(14,21)22)12(9)13-16-18-19-17-13/h3-8H,1-2H3,(H2,14,21,22)(H,16,17,18,19)
PDB

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n/an/a 9.63n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM262258
PNG
(3-(4,5,6,7- tetrahydropyrazolo[1,5- a]pyridin-3-yl...)
Show SMILES NS(=O)(=O)c1cccc(-c2cnn3CCCCc23)c1-c1nn[nH]n1
Show InChI InChI=1S/C14H15N7O2S/c15-24(22,23)12-6-3-4-9(13(12)14-17-19-20-18-14)10-8-16-21-7-2-1-5-11(10)21/h3-4,6,8H,1-2,5,7H2,(H2,15,22,23)(H,17,18,19,20)
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n/an/a 365n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262258
PNG
(3-(4,5,6,7- tetrahydropyrazolo[1,5- a]pyridin-3-yl...)
Show SMILES NS(=O)(=O)c1cccc(-c2cnn3CCCCc23)c1-c1nn[nH]n1
Show InChI InChI=1S/C14H15N7O2S/c15-24(22,23)12-6-3-4-9(13(12)14-17-19-20-18-14)10-8-16-21-7-2-1-5-11(10)21/h3-4,6,8H,1-2,5,7H2,(H2,15,22,23)(H,17,18,19,20)
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n/an/a 10n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM262259
PNG
(3-(2-methylthiophen-3-yl)-2- (2H-tetrazol-5- yl)be...)
Show SMILES Cc1sccc1-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
Show InChI InChI=1S/C12H11N5O2S2/c1-7-8(5-6-20-7)9-3-2-4-10(21(13,18)19)11(9)12-14-16-17-15-12/h2-6H,1H3,(H2,13,18,19)(H,14,15,16,17)
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n/an/a 255n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262259
PNG
(3-(2-methylthiophen-3-yl)-2- (2H-tetrazol-5- yl)be...)
Show SMILES Cc1sccc1-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
Show InChI InChI=1S/C12H11N5O2S2/c1-7-8(5-6-20-7)9-3-2-4-10(21(13,18)19)11(9)12-14-16-17-15-12/h2-6H,1H3,(H2,13,18,19)(H,14,15,16,17)
PDB

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n/an/a 5.80n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM262260
PNG
(3-[1-(phensulfonyl)-1H- pyrrolo[2,3-b]pyridin-3-yl...)
Show SMILES NS(=O)(=O)c1cccc(-c2cn(c3ncccc23)S(=O)(=O)c2ccccc2)c1-c1nn[nH]n1
Show InChI InChI=1S/C20H15N7O4S2/c21-32(28,29)17-10-4-8-14(18(17)19-23-25-26-24-19)16-12-27(20-15(16)9-5-11-22-20)33(30,31)13-6-2-1-3-7-13/h1-12H,(H2,21,28,29)(H,23,24,25,26)
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n/an/a 38.9n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262260
PNG
(3-[1-(phensulfonyl)-1H- pyrrolo[2,3-b]pyridin-3-yl...)
Show SMILES NS(=O)(=O)c1cccc(-c2cn(c3ncccc23)S(=O)(=O)c2ccccc2)c1-c1nn[nH]n1
Show InChI InChI=1S/C20H15N7O4S2/c21-32(28,29)17-10-4-8-14(18(17)19-23-25-26-24-19)16-12-27(20-15(16)9-5-11-22-20)33(30,31)13-6-2-1-3-7-13/h1-12H,(H2,21,28,29)(H,23,24,25,26)
PDB

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n/an/a 2.21n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM262261
PNG
(US9708336, 110 | ethyl 3-{4-[3-sulfamoyl-2- (2H-te...)
Show SMILES CCOC(=O)CCn1cc(cn1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
Show InChI InChI=1S/C15H17N7O4S/c1-2-26-13(23)6-7-22-9-10(8-17-22)11-4-3-5-12(27(16,24)25)14(11)15-18-20-21-19-15/h3-5,8-9H,2,6-7H2,1H3,(H2,16,24,25)(H,18,19,20,21)
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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)

More data for this
Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262261
PNG
(US9708336, 110 | ethyl 3-{4-[3-sulfamoyl-2- (2H-te...)
Show SMILES CCOC(=O)CCn1cc(cn1)-c1cccc(c1-c1nn[nH]n1)S(N)(=O)=O
Show InChI InChI=1S/C15H17N7O4S/c1-2-26-13(23)6-7-22-9-10(8-17-22)11-4-3-5-12(27(16,24)25)14(11)15-18-20-21-19-15/h3-5,8-9H,2,6-7H2,1H3,(H2,16,24,25)(H,18,19,20,21)
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n/an/a 51.9n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM262262
PNG
(3-(3-methyl- [1,2,4]triazolo[4,3-a]pyridin-6- yl)-...)
Show SMILES Cc1nnc2ccc(cn12)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
Show InChI InChI=1S/C14H12N8O2S/c1-8-16-17-12-6-5-9(7-22(8)12)10-3-2-4-11(25(15,23)24)13(10)14-18-20-21-19-14/h2-7H,1H3,(H2,15,23,24)(H,18,19,20,21)
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n/an/a 1.48E+4n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262262
PNG
(3-(3-methyl- [1,2,4]triazolo[4,3-a]pyridin-6- yl)-...)
Show SMILES Cc1nnc2ccc(cn12)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
Show InChI InChI=1S/C14H12N8O2S/c1-8-16-17-12-6-5-9(7-22(8)12)10-3-2-4-11(25(15,23)24)13(10)14-18-20-21-19-14/h2-7H,1H3,(H2,15,23,24)(H,18,19,20,21)
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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)

More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM262263
PNG
(3-(7-methylimidazo[1,2-a] pyridin-6-yl)-2-(1H-tetr...)
Show SMILES Cc1cc2nccn2cc1-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
Show InChI InChI=1S/C15H13N7O2S/c1-9-7-13-17-5-6-22(13)8-11(9)10-3-2-4-12(25(16,23)24)14(10)15-18-20-21-19-15/h2-8H,1H3,(H2,16,23,24)(H,18,19,20,21)
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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)

More data for this
Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262263
PNG
(3-(7-methylimidazo[1,2-a] pyridin-6-yl)-2-(1H-tetr...)
Show SMILES Cc1cc2nccn2cc1-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
Show InChI InChI=1S/C15H13N7O2S/c1-9-7-13-17-5-6-22(13)8-11(9)10-3-2-4-12(25(16,23)24)14(10)15-18-20-21-19-15/h2-8H,1H3,(H2,16,23,24)(H,18,19,20,21)
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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)

More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM262264
PNG
(3-(2-(4-methylpiperazin-1- yl)pyridin-4-yl)-2-(1H-...)
Show SMILES CN1CCN(CC1)c1cc(ccn1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
Show InChI InChI=1S/C17H20N8O2S/c1-24-7-9-25(10-8-24)15-11-12(5-6-19-15)13-3-2-4-14(28(18,26)27)16(13)17-20-22-23-21-17/h2-6,11H,7-10H2,1H3,(H2,18,26,27)(H,20,21,22,23)
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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)

More data for this
Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262264
PNG
(3-(2-(4-methylpiperazin-1- yl)pyridin-4-yl)-2-(1H-...)
Show SMILES CN1CCN(CC1)c1cc(ccn1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
Show InChI InChI=1S/C17H20N8O2S/c1-24-7-9-25(10-8-24)15-11-12(5-6-19-15)13-3-2-4-14(28(18,26)27)16(13)17-20-22-23-21-17/h2-6,11H,7-10H2,1H3,(H2,18,26,27)(H,20,21,22,23)
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n/an/a 5.43n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM262265
PNG
(3-(6-(1H-pyrazol-1-yl)pyridin- 3-yl)-2-(1H-tetrazo...)
Show SMILES NS(=O)(=O)c1cccc(-c2ccc(nc2)-n2cccn2)c1-c1nnn[nH]1
Show InChI InChI=1S/C15H12N8O2S/c16-26(24,25)12-4-1-3-11(14(12)15-19-21-22-20-15)10-5-6-13(17-9-10)23-8-2-7-18-23/h1-9H,(H2,16,24,25)(H,19,20,21,22)
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n/an/a 134n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262265
PNG
(3-(6-(1H-pyrazol-1-yl)pyridin- 3-yl)-2-(1H-tetrazo...)
Show SMILES NS(=O)(=O)c1cccc(-c2ccc(nc2)-n2cccn2)c1-c1nnn[nH]1
Show InChI InChI=1S/C15H12N8O2S/c16-26(24,25)12-4-1-3-11(14(12)15-19-21-22-20-15)10-5-6-13(17-9-10)23-8-2-7-18-23/h1-9H,(H2,16,24,25)(H,19,20,21,22)
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n/an/a 5.18n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM262266
PNG
(2-(1H-tetrazol-5-yl)-[1,1'- biphenyl]-3,3'-disulfo...)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
Show InChI InChI=1S/C13H12N6O4S2/c14-24(20,21)9-4-1-3-8(7-9)10-5-2-6-11(25(15,22)23)12(10)13-16-18-19-17-13/h1-7H,(H2,14,20,21)(H2,15,22,23)(H,16,17,18,19)
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n/an/a 1.33E+3n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262266
PNG
(2-(1H-tetrazol-5-yl)-[1,1'- biphenyl]-3,3'-disulfo...)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1cccc(c1-c1nnn[nH]1)S(N)(=O)=O
Show InChI InChI=1S/C13H12N6O4S2/c14-24(20,21)9-4-1-3-8(7-9)10-5-2-6-11(25(15,22)23)12(10)13-16-18-19-17-13/h1-7H,(H2,14,20,21)(H2,15,22,23)(H,16,17,18,19)
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n/an/a 44.2n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM262267
PNG
(3'-(hydroxymethyl)-2-(1H- tetrazol-5-yl)-[1,1'-bip...)
Show SMILES NS(=O)(=O)c1cccc(-c2cccc(CO)c2)c1-c1nnn[nH]1
Show InChI InChI=1S/C14H13N5O3S/c15-23(21,22)12-6-2-5-11(13(12)14-16-18-19-17-14)10-4-1-3-9(7-10)8-20/h1-7,20H,8H2,(H2,15,21,22)(H,16,17,18,19)
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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)

More data for this
Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262267
PNG
(3'-(hydroxymethyl)-2-(1H- tetrazol-5-yl)-[1,1'-bip...)
Show SMILES NS(=O)(=O)c1cccc(-c2cccc(CO)c2)c1-c1nnn[nH]1
Show InChI InChI=1S/C14H13N5O3S/c15-23(21,22)12-6-2-5-11(13(12)14-16-18-19-17-14)10-4-1-3-9(7-10)8-20/h1-7,20H,8H2,(H2,15,21,22)(H,16,17,18,19)
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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)

More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM262268
PNG
(3-(1-oxoisoindolin-4-yl)-2- (1H-tetrazol-5- yl)ben...)
Show SMILES NS(=O)(=O)c1cccc(-c2cccc3C(=O)NCc23)c1-c1nnn[nH]1
Show InChI InChI=1S/C15H12N6O3S/c16-25(23,24)12-6-2-4-9(13(12)14-18-20-21-19-14)8-3-1-5-10-11(8)7-17-15(10)22/h1-6H,7H2,(H,17,22)(H2,16,23,24)(H,18,19,20,21)
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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)

More data for this
Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262268
PNG
(3-(1-oxoisoindolin-4-yl)-2- (1H-tetrazol-5- yl)ben...)
Show SMILES NS(=O)(=O)c1cccc(-c2cccc3C(=O)NCc23)c1-c1nnn[nH]1
Show InChI InChI=1S/C15H12N6O3S/c16-25(23,24)12-6-2-4-9(13(12)14-18-20-21-19-14)8-3-1-5-10-11(8)7-17-15(10)22/h1-6H,7H2,(H,17,22)(H2,16,23,24)(H,18,19,20,21)
PDB

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n/an/a 1.42n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM262269
PNG
(3-(1,2,3,4-tetrahydroquinolin- 8-yl)-2-(1H-tetrazo...)
Show SMILES NS(=O)(=O)c1cccc(-c2cccc3CCCNc23)c1-c1nnn[nH]1
Show InChI InChI=1S/C16H16N6O2S/c17-25(23,24)13-8-2-6-11(14(13)16-19-21-22-20-16)12-7-1-4-10-5-3-9-18-15(10)12/h1-2,4,6-8,18H,3,5,9H2,(H2,17,23,24)(H,19,20,21,22)
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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)

More data for this
Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262269
PNG
(3-(1,2,3,4-tetrahydroquinolin- 8-yl)-2-(1H-tetrazo...)
Show SMILES NS(=O)(=O)c1cccc(-c2cccc3CCCNc23)c1-c1nnn[nH]1
Show InChI InChI=1S/C16H16N6O2S/c17-25(23,24)13-8-2-6-11(14(13)16-19-21-22-20-16)12-7-1-4-10-5-3-9-18-15(10)12/h1-2,4,6-8,18H,3,5,9H2,(H2,17,23,24)(H,19,20,21,22)
PDB

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n/an/a 7.37n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM262270
PNG
(3-(2-(piperidin-1-yl)pyrimidin- 5-yl)-2-(1H-tetraz...)
Show SMILES NS(=O)(=O)c1cccc(-c2cnc(nc2)N2CCCCC2)c1-c1nnn[nH]1
Show InChI InChI=1S/C16H18N8O2S/c17-27(25,26)13-6-4-5-12(14(13)15-20-22-23-21-15)11-9-18-16(19-10-11)24-7-2-1-3-8-24/h4-6,9-10H,1-3,7-8H2,(H2,17,25,26)(H,20,21,22,23)
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n/an/a 63.1n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262270
PNG
(3-(2-(piperidin-1-yl)pyrimidin- 5-yl)-2-(1H-tetraz...)
Show SMILES NS(=O)(=O)c1cccc(-c2cnc(nc2)N2CCCCC2)c1-c1nnn[nH]1
Show InChI InChI=1S/C16H18N8O2S/c17-27(25,26)13-6-4-5-12(14(13)15-20-22-23-21-15)11-9-18-16(19-10-11)24-7-2-1-3-8-24/h4-6,9-10H,1-3,7-8H2,(H2,17,25,26)(H,20,21,22,23)
PDB

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n/an/a 3.08n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM262271
PNG
(3-(2- (cyclopropylamino)pyrimidin- 5-yl)-2-(1H-tet...)
Show SMILES NS(=O)(=O)c1cccc(-c2cnc(NC3CC3)nc2)c1-c1nnn[nH]1
Show InChI InChI=1S/C14H14N8O2S/c15-25(23,24)11-3-1-2-10(12(11)13-19-21-22-20-13)8-6-16-14(17-7-8)18-9-4-5-9/h1-3,6-7,9H,4-5H2,(H2,15,23,24)(H,16,17,18)(H,19,20,21,22)
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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)

More data for this
Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262271
PNG
(3-(2- (cyclopropylamino)pyrimidin- 5-yl)-2-(1H-tet...)
Show SMILES NS(=O)(=O)c1cccc(-c2cnc(NC3CC3)nc2)c1-c1nnn[nH]1
Show InChI InChI=1S/C14H14N8O2S/c15-25(23,24)11-3-1-2-10(12(11)13-19-21-22-20-13)8-6-16-14(17-7-8)18-9-4-5-9/h1-3,6-7,9H,4-5H2,(H2,15,23,24)(H,16,17,18)(H,19,20,21,22)
PDB

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n/an/a 8.30n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM262597
PNG
(3-(3′-sulfamoyl-2′-(2H-tetrazol-5-yl)-...)
Show SMILES NC(=O)CCc1ccc(cc1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H15F3N6O3S/c18-17(19,20)12-7-6-11(10-4-1-9(2-5-10)3-8-13(21)27)14(15(12)30(22,28)29)16-23-25-26-24-16/h1-2,4-7H,3,8H2,(H2,21,27)(H2,22,28,29)(H,23,24,25,26)
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n/an/a 0.537n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262597
PNG
(3-(3′-sulfamoyl-2′-(2H-tetrazol-5-yl)-...)
Show SMILES NC(=O)CCc1ccc(cc1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H15F3N6O3S/c18-17(19,20)12-7-6-11(10-4-1-9(2-5-10)3-8-13(21)27)14(15(12)30(22,28)29)16-23-25-26-24-16/h1-2,4-7H,3,8H2,(H2,21,27)(H2,22,28,29)(H,23,24,25,26)
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 0.653n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM262598
PNG
(3-(4-(4-(hydroxymethyl)phenyl)piperidin-1-yl)-2-(2...)
Show SMILES NS(=O)(=O)c1c(ccc(N2CCC(CC2)c2ccc(CO)cc2)c1-c1nn[nH]n1)C(F)(F)F
Show InChI InChI=1S/C20H21F3N6O3S/c21-20(22,23)15-5-6-16(17(18(15)33(24,31)32)19-25-27-28-26-19)29-9-7-14(8-10-29)13-3-1-12(11-30)2-4-13/h1-6,14,30H,7-11H2,(H2,24,31,32)(H,25,26,27,28)
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n/an/a 1.28n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262598
PNG
(3-(4-(4-(hydroxymethyl)phenyl)piperidin-1-yl)-2-(2...)
Show SMILES NS(=O)(=O)c1c(ccc(N2CCC(CC2)c2ccc(CO)cc2)c1-c1nn[nH]n1)C(F)(F)F
Show InChI InChI=1S/C20H21F3N6O3S/c21-20(22,23)15-5-6-16(17(18(15)33(24,31)32)19-25-27-28-26-19)29-9-7-14(8-10-29)13-3-1-12(11-30)2-4-13/h1-6,14,30H,7-11H2,(H2,24,31,32)(H,25,26,27,28)
PDB

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n/an/a 1.62n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM262599
PNG
(6-(((1s,4s)-4-aminocyclohexyl)methyl)-3-(quinolin-...)
Show SMILES N[C@H]1CCC(Cc2ccc(-c3ccnc4ccccc34)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1
Show InChI InChI=1S/C23H25N7O2S/c24-16-8-5-14(6-9-16)13-15-7-10-19(17-11-12-26-20-4-2-1-3-18(17)20)21(22(15)33(25,31)32)23-27-29-30-28-23/h1-4,7,10-12,14,16H,5-6,8-9,13,24H2,(H2,25,31,32)(H,27,28,29,30)/t14?,16-
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n/an/a 47.1n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262599
PNG
(6-(((1s,4s)-4-aminocyclohexyl)methyl)-3-(quinolin-...)
Show SMILES N[C@H]1CCC(Cc2ccc(-c3ccnc4ccccc34)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1
Show InChI InChI=1S/C23H25N7O2S/c24-16-8-5-14(6-9-16)13-15-7-10-19(17-11-12-26-20-4-2-1-3-18(17)20)21(22(15)33(25,31)32)23-27-29-30-28-23/h1-4,7,10-12,14,16H,5-6,8-9,13,24H2,(H2,25,31,32)(H,27,28,29,30)/t14?,16-
PDB

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US Patent
n/an/a 0.977n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM262600
PNG
(6-(2-(piperidin-4-yl)ethyl)-3-(quinolin-4-yl)-2-(2...)
Show SMILES NS(=O)(=O)c1c(CCC2CCNCC2)ccc(-c2ccnc3ccccc23)c1-c1nn[nH]n1
Show InChI InChI=1S/C23H25N7O2S/c24-33(31,32)22-16(6-5-15-9-12-25-13-10-15)7-8-19(21(22)23-27-29-30-28-23)17-11-14-26-20-4-2-1-3-18(17)20/h1-4,7-8,11,14-15,25H,5-6,9-10,12-13H2,(H2,24,31,32)(H,27,28,29,30)
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n/an/a 125n/an/an/an/a7.0n/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)

More data for this
Ligand-Target Pair
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