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Compile Data Set for Download or QSAR

Found 837 hits of ph data with Target = 'Beta-lactamase NDM-1'   
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)
BDBM262862
PNG
(3-(2,3-dihydro-1H-isoindol-5- yl)-2-(1H-tetrazol-5...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2ccc3CNCc3c2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C16H13F3N6O2S/c17-16(18,19)12-4-3-11(8-1-2-9-6-21-7-10(9)5-8)13(14(12)28(20,26)27)15-22-24-25-23-15/h1-5,21H,6-7H2,(H2,20,26,27)(H,22,23,24,25)
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n/an/a 25.3n/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)
BDBM262863
PNG
(4'-pyrrolidin-2-yl-2-(1H- tetrazol-5-yl)-4- (trifl...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C2CCCN2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H17F3N6O2S/c19-18(20,21)13-8-7-12(10-3-5-11(6-4-10)14-2-1-9-23-14)15(16(13)30(22,28)29)17-24-26-27-25-17/h3-8,14,23H,1-2,9H2,(H2,22,28,29)(H,24,25,26,27)
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n/an/a 8.07n/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)
BDBM262864
PNG
(4'-piperazin-1-yl-2-(1H-tetrazol- 5-yl)-4- (triflu...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2ccc(cc2)N2CCNCC2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H18F3N7O2S/c19-18(20,21)14-6-5-13(15(16(14)31(22,29)30)17-24-26-27-25-17)11-1-3-12(4-2-11)28-9-7-23-8-10-28/h1-6,23H,7-10H2,(H2,22,29,30)(H,24,25,26,27)
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n/an/a 1.64n/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)
BDBM262865
PNG
(4'-(piperazin-1-ylmethyl)-2-(1H- tetrazol-5-yl)-4-...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2ccc(CN3CCNCC3)cc2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C19H20F3N7O2S/c20-19(21,22)15-6-5-14(16(17(15)32(23,30)31)18-25-27-28-26-18)13-3-1-12(2-4-13)11-29-9-7-24-8-10-29/h1-6,24H,7-11H2,(H2,23,30,31)(H,25,26,27,28)
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n/an/a 1.51n/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)
BDBM262866
PNG
(4'-(azetidin-3-yloxy)-2-(1H- tetrazol-5-yl)-4- (tr...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2ccc(OC3CNC3)cc2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C17H15F3N6O3S/c18-17(19,20)13-6-5-12(9-1-3-10(4-2-9)29-11-7-22-8-11)14(15(13)30(21,27)28)16-23-25-26-24-16/h1-6,11,22H,7-8H2,(H2,21,27,28)(H,23,24,25,26)
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n/an/a 3.04n/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)
BDBM262867
PNG
(3-(1,2,3,4- tetrahydroisoquinolin-7-yl)-2- (1H-tet...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2ccc3CCNCc3c2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C17H15F3N6O2S/c18-17(19,20)13-4-3-12(10-2-1-9-5-6-22-8-11(9)7-10)14(15(13)29(21,27)28)16-23-25-26-24-16/h1-4,7,22H,5-6,8H2,(H2,21,27,28)(H,23,24,25,26)
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n/an/a 3.04n/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)
BDBM262868
PNG
(3-(1,2,3,4- tetrahydroisoquinolin-6-yl)-2- (1H-tet...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2ccc3CNCCc3c2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C17H15F3N6O2S/c18-17(19,20)13-4-3-12(10-1-2-11-8-22-6-5-9(11)7-10)14(15(13)29(21,27)28)16-23-25-26-24-16/h1-4,7,22H,5-6,8H2,(H2,21,27,28)(H,23,24,25,26)
PDB

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n/an/a 3.02n/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)
BDBM262869
PNG
(3'-pyrrolidin-3-yl-2-(1H- tetrazol-5-yl)-4- (trifl...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2cccc(c2)C2CCNC2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H17F3N6O2S/c19-18(20,21)14-5-4-13(11-3-1-2-10(8-11)12-6-7-23-9-12)15(16(14)30(22,28)29)17-24-26-27-25-17/h1-5,8,12,23H,6-7,9H2,(H2,22,28,29)(H,24,25,26,27)
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n/an/a 20.8n/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
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262870
PNG
(3'-piperazin-1-yl-2-(1H-tetrazol- 5-yl)-4- (triflu...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2cccc(c2)N2CCNCC2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H18F3N7O2S/c19-18(20,21)14-5-4-13(15(16(14)31(22,29)30)17-24-26-27-25-17)11-2-1-3-12(10-11)28-8-6-23-7-9-28/h1-5,10,23H,6-9H2,(H2,22,29,30)(H,24,25,26,27)
PDB

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n/an/a 7.78n/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)
BDBM262871
PNG
(3-(3,4-dihydro-2H-1,4- benzoxazin-8-yl)-2-(1H-tetr...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2cccc3NCCOc23)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C16H13F3N6O3S/c17-16(18,19)10-5-4-8(9-2-1-3-11-13(9)28-7-6-21-11)12(14(10)29(20,26)27)15-22-24-25-23-15/h1-5,21H,6-7H2,(H2,20,26,27)(H,22,23,24,25)
PDB

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n/an/a 1.15n/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)
BDBM262872
PNG
(4'-[2-hydroxy-1- (hydroxymethyl)-1- methylethyl]-2...)
Show SMILES CC(CO)(CO)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H18F3N5O4S/c1-17(8-27,9-28)11-4-2-10(3-5-11)12-6-7-13(18(19,20)21)15(31(22,29)30)14(12)16-23-25-26-24-16/h2-7,27-28H,8-9H2,1H3,(H2,22,29,30)(H,23,24,25,26)
PDB

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n/an/a 0.767n/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)
BDBM262873
PNG
(3-[1-(methylamino)-2,3- dihydro-1H-inden-4-yl]-2-(...)
Show SMILES CNC1CCc2c1cccc2-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H17F3N6O2S/c1-23-14-8-6-10-9(3-2-4-11(10)14)12-5-7-13(18(19,20)21)16(30(22,28)29)15(12)17-24-26-27-25-17/h2-5,7,14,23H,6,8H2,1H3,(H2,22,28,29)(H,24,25,26,27)
PDB

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n/an/a 26.8n/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
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262874
PNG
(4'-[(3R)-3-aminopiperidin-1-yl]- 2-(1H-tetrazol-5-...)
Show SMILES N[C@@H]1CCCN(C1)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C19H20F3N7O2S/c20-19(21,22)15-8-7-14(16(17(15)32(24,30)31)18-25-27-28-26-18)11-3-5-13(6-4-11)29-9-1-2-12(23)10-29/h3-8,12H,1-2,9-10,23H2,(H2,24,30,31)(H,25,26,27,28)/t12-/m1/s1
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n/an/a 2.13n/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)
BDBM262875
PNG
(4'-(1-amino-3- hydroxycyclobutyl)-2-(1H- tetrazol-...)
Show SMILES NC1(CC(O)C1)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H17F3N6O3S/c19-18(20,21)13-6-5-12(14(15(13)31(23,29)30)16-24-26-27-25-16)9-1-3-10(4-2-9)17(22)7-11(28)8-17/h1-6,11,28H,7-8,22H2,(H2,23,29,30)(H,24,25,26,27)
PDB

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n/an/a 2.58n/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)
BDBM262876
PNG
(4'-(1-aminocyclopentyl)-2-(1H- tetrazol-5-yl)-4- (...)
Show SMILES NC1(CCCC1)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C19H19F3N6O2S/c20-19(21,22)14-8-7-13(15(16(14)31(24,29)30)17-25-27-28-26-17)11-3-5-12(6-4-11)18(23)9-1-2-10-18/h3-8H,1-2,9-10,23H2,(H2,24,29,30)(H,25,26,27,28)
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n/an/a 4.85n/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)
BDBM262877
PNG
(4'-(3-aminotetrahydrofuran-3- yl)-2-(1H-tetrazol-5...)
Show SMILES NC1(CCOC1)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H17F3N6O3S/c19-18(20,21)13-6-5-12(14(15(13)31(23,28)29)16-24-26-27-25-16)10-1-3-11(4-2-10)17(22)7-8-30-9-17/h1-6H,7-9,22H2,(H2,23,28,29)(H,24,25,26,27)
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n/an/a 2.80n/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
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262878
PNG
(3-(8-amino-5,6,7,8- tetrahydronaphthalen-2-yl)-2- ...)
Show SMILES NC1CCCc2ccc(cc12)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H17F3N6O2S/c19-18(20,21)13-7-6-11(10-5-4-9-2-1-3-14(22)12(9)8-10)15(16(13)30(23,28)29)17-24-26-27-25-17/h4-8,14H,1-3,22H2,(H2,23,28,29)(H,24,25,26,27)
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n/an/a 61.3n/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)
BDBM262879
PNG
(4'-(2-amino-1,3-thiaozl-4-yl)-2- (1H-tetrazol-5-yl...)
Show SMILES Nc1nc(cs1)-c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H12F3N7O2S2/c18-17(19,20)11-6-5-10(13(14(11)31(22,28)29)15-24-26-27-25-15)8-1-3-9(4-2-8)12-7-30-16(21)23-12/h1-7H,(H2,21,23)(H2,22,28,29)(H,24,25,26,27)
PDB

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n/an/a 0.534n/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)
BDBM262880
PNG
(3-[3-(aminomethyl)-2,3- dihydro-1-benzofuran-5-yl]...)
Show SMILES NCC1COc2ccc(cc12)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H15F3N6O3S/c18-17(19,20)12-3-2-10(8-1-4-13-11(5-8)9(6-21)7-29-13)14(15(12)30(22,27)28)16-23-25-26-24-16/h1-5,9H,6-7,21H2,(H2,22,27,28)(H,23,24,25,26)
PDB

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n/an/a 33.5n/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)
BDBM262881
PNG
(3'-(2-aminoethyl)-2-(1H- tetraozl-5-yl)-4- (triflu...)
Show SMILES NCCc1cccc(c1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C16H15F3N6O2S/c17-16(18,19)12-5-4-11(10-3-1-2-9(8-10)6-7-20)13(14(12)28(21,26)27)15-22-24-25-23-15/h1-5,8H,6-7,20H2,(H2,21,26,27)(H,22,23,24,25)
PDB

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n/an/a 31.4n/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)
BDBM262882
PNG
(4'-(3-aminopropyl)-2-(1H- tetrazol-5-yl)-4- (trifl...)
Show SMILES NCCCc1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H17F3N6O2S/c18-17(19,20)13-8-7-12(11-5-3-10(4-6-11)2-1-9-21)14(15(13)29(22,27)28)16-23-25-26-24-16/h3-8H,1-2,9,21H2,(H2,22,27,28)(H,23,24,25,26)
PDB

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US Patent
n/an/a 3.03n/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)
BDBM262883
PNG
(4'-[(2-aminoethyl)sulfonyl]-2- (1H-tetrazol-5-yl)-...)
Show SMILES NCCS(=O)(=O)c1ccc(cc1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C16H15F3N6O4S2/c17-16(18,19)12-6-5-11(9-1-3-10(4-2-9)30(26,27)8-7-20)13(14(12)31(21,28)29)15-22-24-25-23-15/h1-6H,7-8,20H2,(H2,21,28,29)(H,22,23,24,25)
PDB

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n/an/a 3.23n/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)
BDBM262884
PNG
(3'-(sulfamoylmethyl)-2-(1H- tetrazol-5-yl)-4- (tri...)
Show SMILES NS(=O)(=O)Cc1cccc(c1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C15H13F3N6O4S2/c16-15(17,18)11-5-4-10(9-3-1-2-8(6-9)7-29(19,25)26)12(13(11)30(20,27)28)14-21-23-24-22-14/h1-6H,7H2,(H2,19,25,26)(H2,20,27,28)(H,21,22,23,24)
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n/an/a 4.95n/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)
BDBM262885
PNG
(4'-[hydroxy(piperidin-4- yl)methyl]-2-(1H-tetrazol...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2ccc(cc2)C(O)C2CCNCC2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C20H21F3N6O3S/c21-20(22,23)15-6-5-14(16(18(15)33(24,31)32)19-26-28-29-27-19)11-1-3-12(4-2-11)17(30)13-7-9-25-10-8-13/h1-6,13,17,25,30H,7-10H2,(H2,24,31,32)(H,26,27,28,29)
PDB

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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)
BDBM262886
PNG
(3'-(3-hydroxypiperidin-1-yl)-2- (1H-tetrazol-5-yl)...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2cccc(c2)N2CCCC(O)C2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C19H19F3N6O3S/c20-19(21,22)15-7-6-14(16(17(15)32(23,30)31)18-24-26-27-25-18)11-3-1-4-12(9-11)28-8-2-5-13(29)10-28/h1,3-4,6-7,9,13,29H,2,5,8,10H2,(H2,23,30,31)(H,24,25,26,27)
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n/an/a 3.84n/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)
BDBM262887
PNG
(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)
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n/an/a 0.229n/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)
BDBM262888
PNG
(3'-(4-hydroxypiperidin-1-yl)-2- (1H-tetrazol-5-yl)...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2cccc(c2)N2CCC(O)CC2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C19H19F3N6O3S/c20-19(21,22)15-5-4-14(16(17(15)32(23,30)31)18-24-26-27-25-18)11-2-1-3-12(10-11)28-8-6-13(29)7-9-28/h1-5,10,13,29H,6-9H2,(H2,23,30,31)(H,24,25,26,27)
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n/an/a 4.65n/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)
BDBM262889
PNG
(4'-[(2-hydroxyethyl)sulfonyl]-2- (1H-tetrazol-5-yl...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2ccc(cc2)S(=O)(=O)CCO)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C16H14F3N5O5S2/c17-16(18,19)12-6-5-11(9-1-3-10(4-2-9)30(26,27)8-7-25)13(14(12)31(20,28)29)15-21-23-24-22-15/h1-6,25H,7-8H2,(H2,20,28,29)(H,21,22,23,24)
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n/an/a 2.01n/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)
BDBM262890
PNG
(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)
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n/an/a 0.409n/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)
BDBM262891
PNG
(3-(6-piperidin-4-ylpyridin-3-yl)- 2-(1H-tetrazol-5...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2ccc(nc2)C2CCNCC2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H18F3N7O2S/c19-18(20,21)13-3-2-12(15(16(13)31(22,29)30)17-25-27-28-26-17)11-1-4-14(24-9-11)10-5-7-23-8-6-10/h1-4,9-10,23H,5-8H2,(H2,22,29,30)(H,25,26,27,28)
PDB

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n/an/a 16.3n/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)
BDBM262892
PNG
(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

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n/an/a 1.05n/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)
BDBM262893
PNG
(3-(1-oxo-2,3-dihydro-1H- isoindol-5-yl)-2-(1H-tetr...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2ccc3C(=O)NCc3c2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C16H11F3N6O3S/c17-16(18,19)11-4-3-9(7-1-2-10-8(5-7)6-21-15(10)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)
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n/an/a 2.27n/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)
BDBM262894
PNG
(3-(4-methylpyridin-3-yl)-2-(1H- tetrazol-5-yl)-6- ...)
Show SMILES Cc1ccncc1-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C14H11F3N6O2S/c1-7-4-5-19-6-9(7)8-2-3-10(14(15,16)17)12(26(18,24)25)11(8)13-20-22-23-21-13/h2-6H,1H3,(H2,18,24,25)(H,20,21,22,23)
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n/an/a 5.72n/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)
BDBM262895
PNG
(3-imidazo[1,2-a]pyridin-3-yl-2- (1H-tetrazol-5-yl)...)
Show SMILES NS(=O)(=O)c1c(ccc(-c2cnc3ccccn23)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C15H10F3N7O2S/c16-15(17,18)9-5-4-8(10-7-20-11-3-1-2-6-25(10)11)12(13(9)28(19,26)27)14-21-23-24-22-14/h1-7H,(H2,19,26,27)(H,21,22,23,24)
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n/an/a 0.833n/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)
BDBM262896
PNG
(3-(4-aminoquinazolin-7-yl)-2- (1H-tetrazol-5-yl)-6...)
Show SMILES Nc1ncnc2cc(ccc12)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C16H11F3N8O2S/c17-16(18,19)10-4-3-8(7-1-2-9-11(5-7)22-6-23-14(9)20)12(13(10)30(21,28)29)15-24-26-27-25-15/h1-6H,(H2,20,22,23)(H2,21,28,29)(H,24,25,26,27)
PDB

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n/an/a 2.35n/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)
BDBM262897
PNG
(3-(2,4-diaminoquinazolin-7-yl)- 2-(1H-tetrazol-5-y...)
Show SMILES Nc1nc(N)c2ccc(cc2n1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C16H12F3N9O2S/c17-16(18,19)9-4-3-7(11(12(9)31(22,29)30)14-25-27-28-26-14)6-1-2-8-10(5-6)23-15(21)24-13(8)20/h1-5H,(H2,22,29,30)(H4,20,21,23,24)(H,25,26,27,28)
PDB

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n/an/a 4.75n/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)
BDBM262898
PNG
(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

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n/an/a 0.962n/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)
BDBM262899
PNG
(3-(2-amino-1-ethyl-1H- benzimidazol-5-yl)-2-(1H- t...)
Show SMILES CCn1c(N)nc2cc(ccc12)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H15F3N8O2S/c1-2-28-12-6-3-8(7-11(12)23-16(28)21)9-4-5-10(17(18,19)20)14(31(22,29)30)13(9)15-24-26-27-25-15/h3-7H,2H2,1H3,(H2,21,23)(H2,22,29,30)(H,24,25,26,27)
PDB

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n/an/a 2.33n/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)
BDBM262900
PNG
(3'-(2-aminopyrimidin-4-yl)-2- (1H-tetrazol-5-yl)-4...)
Show SMILES Nc1nccc(n1)-c1cccc(c1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H13F3N8O2S/c19-18(20,21)12-5-4-11(14(15(12)32(23,30)31)16-26-28-29-27-16)9-2-1-3-10(8-9)13-6-7-24-17(22)25-13/h1-8H,(H2,22,24,25)(H2,23,30,31)(H,26,27,28,29)
PDB

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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)
BDBM262901
PNG
(3-[(7S)-7-amino-5- azaspiro[2.4]hept-5-yl]-2-(1H- ...)
Show SMILES N[C@@H]1CN(CC11CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C14H16F3N7O2S/c15-14(16,17)7-1-2-8(24-5-9(18)13(6-24)3-4-13)10(11(7)27(19,25)26)12-20-22-23-21-12/h1-2,9H,3-6,18H2,(H2,19,25,26)(H,20,21,22,23)/t9-/m1/s1
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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)
BDBM262902
PNG
(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

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n/an/a 13.9n/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)
BDBM262903
PNG
(3-[(3R,4R)-3,4- dihydroxypyrrolidin-1-yl]-2-(1H- t...)
Show SMILES NS(=O)(=O)c1c(ccc(N2C[C@@H](O)[C@H](O)C2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C12H13F3N6O4S/c13-12(14,15)5-1-2-6(21-3-7(22)8(23)4-21)9(10(5)26(16,24)25)11-17-19-20-18-11/h1-2,7-8,22-23H,3-4H2,(H2,16,24,25)(H,17,18,19,20)/t7-,8-/m1/s1
PDB

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n/an/a 78.1n/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)
BDBM262904
PNG
(3-[(3R,4S)-3,4- dihydroxypyrrolidin-1-yl]-2-(1H- t...)
Show SMILES NS(=O)(=O)c1c(ccc(N2C[C@H](O)[C@H](O)C2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C12H13F3N6O4S/c13-12(14,15)5-1-2-6(21-3-7(22)8(23)4-21)9(10(5)26(16,24)25)11-17-19-20-18-11/h1-2,7-8,22-23H,3-4H2,(H2,16,24,25)(H,17,18,19,20)/t7-,8+
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US Patent
n/an/a 82.8n/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
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262905
PNG
(3-[4-(3-aminoazetidin-1- yl)piperidin-1-yl]-2-(1H-...)
Show SMILES NC1CN(C1)C1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C16H21F3N8O2S/c17-16(18,19)11-1-2-12(13(14(11)30(21,28)29)15-22-24-25-23-15)26-5-3-10(4-6-26)27-7-9(20)8-27/h1-2,9-10H,3-8,20H2,(H2,21,28,29)(H,22,23,24,25)
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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
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262906
PNG
(3-[4-(2-hydroxyethyl)piperazin- 1-yl]-2-(1H-tetraz...)
Show SMILES NS(=O)(=O)c1c(ccc(N2CCN(CCO)CC2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C14H18F3N7O3S/c15-14(16,17)9-1-2-10(24-5-3-23(4-6-24)7-8-25)11(12(9)28(18,26)27)13-19-21-22-20-13/h1-2,25H,3-8H2,(H2,18,26,27)(H,19,20,21,22)
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n/an/a 22.5n/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)
BDBM262907
PNG
(2,2-dimethyl-N-({1-[3- sulfamoyl-2-(1H-tetrazol-5-...)
Show SMILES CC(C)(C)C(=O)NCC1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C19H26F3N7O3S/c1-18(2,3)17(30)24-10-11-6-8-29(9-7-11)13-5-4-12(19(20,21)22)15(33(23,31)32)14(13)16-25-27-28-26-16/h4-5,11H,6-10H2,1-3H3,(H,24,30)(H2,23,31,32)(H,25,26,27,28)
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n/an/a 5.64n/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)
BDBM262908
PNG
(3-(1-amino-8-azaspiro[4.5]dec- 8-yl)-2-(1H-tetrazo...)
Show SMILES NC1CCCC11CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H22F3N7O2S/c18-17(19,20)10-3-4-11(13(14(10)30(22,28)29)15-23-25-26-24-15)27-8-6-16(7-9-27)5-1-2-12(16)21/h3-4,12H,1-2,5-9,21H2,(H2,22,28,29)(H,23,24,25,26)
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n/an/a 46n/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)
BDBM262909
PNG
(3-{4-[3-(aminomethyl)azetidin- 1-yl]piperidin-1-yl...)
Show SMILES NCC1CN(C1)C1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H23F3N8O2S/c18-17(19,20)12-1-2-13(14(15(12)31(22,29)30)16-23-25-26-24-16)27-5-3-11(4-6-27)28-8-10(7-21)9-28/h1-2,10-11H,3-9,21H2,(H2,22,29,30)(H,23,24,25,26)
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n/an/a 73.2n/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
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM262811
PNG
(3-[4-(3-hydroxypropyl)piperazin-1- yl]-2-(1H-tetra...)
Show SMILES NS(=O)(=O)c1c(ccc(N2CCN(CCCO)CC2)c1-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C15H20F3N7O3S/c16-15(17,18)10-2-3-11(25-7-5-24(6-8-25)4-1-9-26)12(13(10)29(19,27)28)14-20-22-23-21-14/h2-3,26H,1,4-9H2,(H2,19,27,28)(H,20,21,22,23)
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n/an/a 37.7n/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)
BDBM262911
PNG
(3-[4-(5-amino-1,3,4-thiadiazol- 2-yl)piperidin-1-y...)
Show SMILES Nc1nnc(s1)C1CCN(CC1)c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C15H16F3N9O2S2/c16-15(17,18)8-1-2-9(10(11(8)31(20,28)29)12-21-25-26-22-12)27-5-3-7(4-6-27)13-23-24-14(19)30-13/h1-2,7H,3-6H2,(H2,19,24)(H2,20,28,29)(H,21,22,25,26)
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n/an/a 273n/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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